data_5756 #Corrected using PDB structure: 1N0SA # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a HA chemical shift difference (obs*-pred) greater than 0.7ppm: #NUM AA CS Observed* Predicted #135 M HA 5.08 3.45 #173 N HA 4.68 3.94 # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted #170 C CB 43.46 38.09 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.02 -0.02 0.16 -0.09 0.19 -0.07 # #bmr5756.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr5756.str file): #HA CA CB CO N HN #N/A +0.07 +0.07 -0.09 +0.19 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.03 +/-0.10 +/-0.13 +/-0.13 +/-0.30 +/-0.05 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.857 0.977 0.995 0.773 0.864 0.715 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.167 0.660 0.791 0.814 1.862 0.342 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance Assignments for the 21 kDa engineered fluorescein-binding lipocalin FluA ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Gaohua . . 2 Mills Jeffrey L. . 3 Hess Tracy A. . 4 Kim Seho . . 5 Skalicky Jack J. . 6 Sukumaran Dinesh K. . 7 Kupce Eriks . . 8 Skerra Arne . . 9 Szyperski Thomas . . stop_ _BMRB_accession_number 5756 _BMRB_flat_file_name bmr5756.str _Entry_type new _Submission_date 2003-03-26 _Accession_date 2003-03-27 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 1088 '15N chemical shifts' 185 '13C chemical shifts' 809 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-04-23 update BMRB "addition of relationship loop" 2003-08-07 original author "original release" stop_ loop_ _Related_BMRB_accession_number _Relationship 6182 "FluA(R95K) complexed with fluorescein" stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Letter to the Editor: Resonace Assignments for the 21 kDa engineered fluorescein-binding lipocalin FluA ; _Citation_status published _Citation_type journal _MEDLINE_UI_code . _PubMed_ID . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Gaohua . . 2 Mills Jeffrey L. . 3 Hess Tracy A. . 4 Kim Seho . . 5 Skalicky Jack J. . 6 Sukumaran Dinesh K. . 7 Kupce Eriks . . 8 Skerra Arne . . 9 Szyperski Thomas . . stop_ _Journal_abbreviation "J. Biomol. NMR" _Journal_volume 27 _Journal_issue 2 _Page_first 187 _Page_last 188 _Year 2003 loop_ _Keyword "Protein Design" "anticalin" "molecular recognition" "reduced dimensionality NMR" "resonance assignment" stop_ save_ ################################## # Molecular system description # ################################## save_system_FluA _Saveframe_category molecular_system _Mol_system_name "fluorescein-binding lipocalin" _Abbreviation_common FluA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "FluA subunit1, FluA monomer" $FluA stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' save_ ######################## # Monomeric polymers # ######################## save_FluA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "fluorescein-bind lipocalin" _Name_variant . _Abbreviation_common FluA _Mol_thiol_state 'not reported' ############################## # Polymer residue sequence # ############################## _Residue_count 184 _Mol_residue_sequence ; DVYHDGACPEVKPVDNFDWS QYHGKWWEVAKYPSPNGKYG KCGWAEYTPEGKSVKVSRYD VIHGKEYFMEGTAYPVGDSK IGKIYHSRTVGGYTKKTVFN VLSTDNKNYIIGYSCRYDED KKGHWDHVWVLSRSMVLTGE AKTAVENYLIGSPVVDSQKL VYSDFSEAACKVNNSNWSHP QFEK ; loop_ _Residue_seq_code _Residue_label 1 ASP 2 VAL 3 TYR 4 HIS 5 ASP 6 GLY 7 ALA 8 CYS 9 PRO 10 GLU 11 VAL 12 LYS 13 PRO 14 VAL 15 ASP 16 ASN 17 PHE 18 ASP 19 TRP 20 SER 21 GLN 22 TYR 23 HIS 24 GLY 25 LYS 26 TRP 27 TRP 28 GLU 29 VAL 30 ALA 31 LYS 32 TYR 33 PRO 34 SER 35 PRO 36 ASN 37 GLY 38 LYS 39 TYR 40 GLY 41 LYS 42 CYS 43 GLY 44 TRP 45 ALA 46 GLU 47 TYR 48 THR 49 PRO 50 GLU 51 GLY 52 LYS 53 SER 54 VAL 55 LYS 56 VAL 57 SER 58 ARG 59 TYR 60 ASP 61 VAL 62 ILE 63 HIS 64 GLY 65 LYS 66 GLU 67 TYR 68 PHE 69 MET 70 GLU 71 GLY 72 THR 73 ALA 74 TYR 75 PRO 76 VAL 77 GLY 78 ASP 79 SER 80 LYS 81 ILE 82 GLY 83 LYS 84 ILE 85 TYR 86 HIS 87 SER 88 ARG 89 THR 90 VAL 91 GLY 92 GLY 93 TYR 94 THR 95 LYS 96 LYS 97 THR 98 VAL 99 PHE 100 ASN 101 VAL 102 LEU 103 SER 104 THR 105 ASP 106 ASN 107 LYS 108 ASN 109 TYR 110 ILE 111 ILE 112 GLY 113 TYR 114 SER 115 CYS 116 ARG 117 TYR 118 ASP 119 GLU 120 ASP 121 LYS 122 LYS 123 GLY 124 HIS 125 TRP 126 ASP 127 HIS 128 VAL 129 TRP 130 VAL 131 LEU 132 SER 133 ARG 134 SER 135 MET 136 VAL 137 LEU 138 THR 139 GLY 140 GLU 141 ALA 142 LYS 143 THR 144 ALA 145 VAL 146 GLU 147 ASN 148 TYR 149 LEU 150 ILE 151 GLY 152 SER 153 PRO 154 VAL 155 VAL 156 ASP 157 SER 158 GLN 159 LYS 160 LEU 161 VAL 162 TYR 163 SER 164 ASP 165 PHE 166 SER 167 GLU 168 ALA 169 ALA 170 CYS 171 LYS 172 VAL 173 ASN 174 ASN 175 SER 176 ASN 177 TRP 178 SER 179 HIS 180 PRO 181 GLN 182 PHE 183 GLU 184 LYS stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-07-01 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1N0S "A Chain A, Engineered Lipocalin Flua InComplex With Fluorescein" 100.00 184 99 100 1e-111 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FluA "cabbage butterfly" 7116 Eukaryota Metazoa Pieris brassicae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $FluA 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FluA 0.7 mM "[U-95% 13C; U-90% 15N]" stop_ save_ save_Sample2 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FluA 0.7 mM "[U-90% 15N]" stop_ save_ save_sample3 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FluA 0.7 mM "[U-50% 2H; U-90% 15N]" stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 1H-15N TROSY HNNCACB CBCA(CO)NHN HC(C)HCOSY HC(C)HTOCSY RD HNNCAHA RD HACA(CO)NHN RD HBCBHACA(CO)NHN RD HBCB(CGCD)HD RD 1H-TOCSY relayed HCH COSY 1H-13C NOESY 1H-15N NOESY 1H-15N NOESY-TROSY ; save_ ####################### # Sample conditions # ####################### save_Ex-cond1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.4 0.2 n/a temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample1 stop_ _Sample_conditions_label $Ex-cond1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "FluA subunit1, FluA monomer" loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 VAL N N 119.49 . 1 2 2 VAL H H 9.46 . 1 3 2 VAL CA C 61.17 . 1 4 2 VAL HA H 4.46 . 1 5 2 VAL CB C 35.37 . 1 6 2 VAL HB H 1.91 . 1 7 2 VAL CG1 C 21.07 . 1 8 2 VAL CG2 C 21.07 . 1 9 2 VAL HG1 H 0.56 . 1 10 2 VAL HG2 H 0.56 . 1 11 2 VAL C C 173.61 . 1 12 3 TYR N N 128.39 . 1 13 3 TYR H H 8.26 . 1 14 3 TYR CA C 57.57 . 1 15 3 TYR HA H 4.10 . 1 16 3 TYR CB C 38.47 . 1 17 3 TYR HB2 H 0.89 . 2 18 3 TYR HB3 H 1.91 . 2 19 3 TYR HD1 H 5.59 . 1 20 3 TYR HD2 H 5.59 . 1 21 3 TYR HE1 H 6.16 . 1 22 3 TYR HE2 H 6.16 . 1 23 3 TYR CD1 C 132.57 . 1 24 3 TYR CE1 C 117.27 . 1 25 3 TYR CE2 C 117.27 . 1 26 3 TYR CD2 C 132.57 . 1 27 3 TYR C C 174.71 . 1 28 4 HIS N N 123.89 . 1 29 4 HIS H H 7.59 . 1 30 4 HIS CA C 53.37 . 1 31 4 HIS HA H 4.08 . 1 32 4 HIS CB C 32.37 . 1 33 4 HIS HB2 H 1.47 . 2 34 4 HIS HB3 H 2.75 . 2 35 4 HIS CD2 C 119.57 . 1 36 4 HIS CE1 C 135.57 . 1 37 4 HIS HD2 H 6.89 . 1 38 4 HIS HE1 H 7.84 . 1 39 4 HIS C C 171.91 . 1 40 5 ASP N N 120.09 . 1 41 5 ASP H H 8.23 . 1 42 5 ASP CA C 55.37 . 1 43 5 ASP HA H 4.50 . 1 45 5 ASP HB2 H 2.54 . 2 46 5 ASP HB3 H 2.74 . 2 47 5 ASP C C 176.81 . 1 48 6 GLY N N 107.79 . 1 49 6 GLY H H 8.35 . 1 50 6 GLY CA C 44.67 . 1 51 6 GLY HA2 H 3.98 . 2 52 6 GLY HA3 H 4.45 . 2 53 6 GLY C C 175.21 . 1 54 7 ALA N N 123.29 . 1 55 7 ALA H H 8.49 . 1 56 7 ALA CA C 51.87 . 1 57 7 ALA HA H 4.16 . 1 58 7 ALA HB H 1.19 . 1 59 7 ALA CB C 19.07 . 1 62 8 CYS H H 8.20 . 1 63 8 CYS CA C 55.97 . 1 64 8 CYS HA H 3.29 . 1 65 8 CYS CB C 41.37 . 1 66 8 CYS HB2 H 2.68 . 2 67 8 CYS HB3 H 3.25 . 2 68 9 PRO CD C 50.57 . 1 69 9 PRO CA C 62.07 . 1 70 9 PRO HA H 4.30 . 1 71 9 PRO CB C 31.87 . 1 72 9 PRO HB2 H 1.63 . 2 73 9 PRO HB3 H 2.05 . 2 74 9 PRO CG C 27.17 . 1 75 9 PRO HG2 H 1.80 . 2 76 9 PRO HG3 H 2.00 . 2 77 9 PRO HD2 H 3.07 . 2 78 9 PRO HD3 H 3.80 . 2 79 9 PRO C C 175.71 . 1 80 10 GLU N N 120.99 . 1 81 10 GLU H H 8.33 . 1 82 10 GLU CA C 55.97 . 1 83 10 GLU HA H 4.24 . 1 84 10 GLU CB C 29.17 . 1 85 10 GLU HB2 H 1.84 . 1 86 10 GLU HB3 H 1.84 . 1 87 10 GLU CG C 35.97 . 1 88 10 GLU HG2 H 2.19 . 2 89 10 GLU HG3 H 2.07 . 2 90 10 GLU C C 176.01 . 1 91 11 VAL N N 120.19 . 1 92 11 VAL H H 8.05 . 1 93 11 VAL CA C 59.67 . 1 94 11 VAL HA H 4.30 . 1 95 11 VAL CB C 34.47 . 1 96 11 VAL HB H 1.74 . 1 97 11 VAL HG1 H 0.64 . 2 98 11 VAL HG2 H 0.50 . 2 99 11 VAL CG1 C 18.97 . 1 100 11 VAL CG2 C 21.57 . 1 103 12 LYS H H 8.53 . 1 104 12 LYS CA C 52.17 . 1 105 12 LYS HA H 4.83 . 1 106 12 LYS CB C 33.07 . 1 107 12 LYS HB2 H 1.63 . 2 108 12 LYS HB3 H 1.78 . 2 109 12 LYS CG C 24.27 . 1 110 12 LYS HG2 H 1.35 . 1 111 12 LYS HG3 H 1.35 . 1 112 12 LYS CD C 28.97 . 1 113 12 LYS HD2 H 1.65 . 1 114 12 LYS HD3 H 1.65 . 1 115 12 LYS CE C 41.87 . 1 116 12 LYS HE2 H 2.95 . 1 117 12 LYS HE3 H 2.95 . 1 118 13 PRO CD C 50.47 . 1 119 13 PRO CA C 61.47 . 1 120 13 PRO HA H 4.56 . 1 121 13 PRO CB C 33.07 . 1 122 13 PRO HB2 H 1.89 . 2 123 13 PRO HB3 H 2.13 . 2 124 13 PRO CG C 26.77 . 1 125 13 PRO HG2 H 1.83 . 1 126 13 PRO HG3 H 1.83 . 1 127 13 PRO HD2 H 3.72 . 1 128 13 PRO HD3 H 3.72 . 1 129 13 PRO C C 176.71 . 1 130 14 VAL N N 111.79 . 1 131 14 VAL H H 7.95 . 1 132 14 VAL CA C 62.07 . 1 133 14 VAL HA H 4.24 . 1 134 14 VAL CB C 31.77 . 1 135 14 VAL HB H 2.56 . 1 136 14 VAL HG1 H 0.92 . 2 137 14 VAL HG2 H 1.00 . 2 138 14 VAL CG1 C 18.77 . 1 139 14 VAL CG2 C 22.07 . 1 140 14 VAL C C 174.91 . 1 141 15 ASP N N 117.79 . 1 142 15 ASP H H 8.15 . 1 143 15 ASP CA C 52.97 . 1 144 15 ASP HA H 5.02 . 1 145 15 ASP CB C 41.17 . 1 146 15 ASP HB2 H 2.54 . 2 147 15 ASP HB3 H 2.91 . 2 148 15 ASP C C 175.61 . 1 149 16 ASN N N 119.19 . 1 150 16 ASN H H 7.85 . 1 151 16 ASN CA C 51.57 . 1 152 16 ASN HA H 4.76 . 1 153 16 ASN CB C 37.97 . 1 154 16 ASN HB2 H 2.61 . 2 155 16 ASN HB3 H 2.94 . 2 156 16 ASN ND2 N 109.60 . 1 157 16 ASN HD21 H 7.43 . 2 158 16 ASN HD22 H 6.67 . 2 159 16 ASN C C 176.11 . 1 160 17 PHE N N 125.69 . 1 161 17 PHE H H 9.81 . 1 162 17 PHE CA C 59.57 . 1 163 17 PHE HA H 4.21 . 1 164 17 PHE CB C 38.67 . 1 165 17 PHE HB2 H 3.16 . 2 166 17 PHE HB3 H 2.52 . 2 167 17 PHE HD1 H 7.20 . 1 168 17 PHE HD2 H 7.20 . 1 169 17 PHE HE1 H 6.73 . 1 170 17 PHE HE2 H 6.73 . 1 171 17 PHE CD1 C 131.17 . 1 172 17 PHE CE1 C 131.37 . 1 173 17 PHE CZ C 130.67 . 1 174 17 PHE HZ H 7.17 . 1 175 17 PHE CE2 C 131.17 . 1 176 17 PHE CD2 C 131.17 . 1 177 17 PHE C C 174.61 . 1 178 18 ASP N N 125.59 . 1 179 18 ASP H H 7.42 . 1 180 18 ASP CA C 51.27 . 1 181 18 ASP HA H 4.59 . 1 182 18 ASP CB C 39.57 . 1 183 18 ASP HB2 H 2.27 . 2 184 18 ASP HB3 H 2.52 . 2 185 18 ASP C C 175.01 . 1 186 19 TRP N N 126.09 . 1 187 19 TRP H H 8.60 . 1 188 19 TRP CA C 59.57 . 1 189 19 TRP HA H 3.87 . 1 190 19 TRP CB C 29.67 . 1 191 19 TRP HB2 H 3.41 . 2 192 19 TRP HB3 H 3.22 . 2 193 19 TRP CD1 C 127.17 . 1 194 19 TRP CE3 C 119.97 . 1 195 19 TRP NE1 N 129.00 . 1 196 19 TRP HD1 H 7.21 . 1 197 19 TRP HE3 H 6.70 . 1 198 19 TRP CZ3 C 121.47 . 1 199 19 TRP CZ2 C 115.17 . 1 200 19 TRP HE1 H 10.03 . 1 201 19 TRP HZ3 H 6.41 . 1 202 19 TRP CH2 C 122.87 . 1 203 19 TRP HZ2 H 7.53 . 1 204 19 TRP HH2 H 6.84 . 1 205 19 TRP C C 174.91 . 1 206 20 SER N N 113.29 . 1 207 20 SER H H 8.12 . 1 208 20 SER CA C 60.97 . 1 209 20 SER HA H 4.14 . 1 210 20 SER CB C 62.77 . 1 211 20 SER HB2 H 3.98 . 1 212 20 SER HB3 H 3.98 . 1 213 20 SER C C 175.41 . 1 214 21 GLN N N 118.89 . 1 215 21 GLN H H 7.56 . 1 216 21 GLN CA C 55.47 . 1 217 21 GLN HA H 4.22 . 1 218 21 GLN CB C 27.77 . 1 219 21 GLN HB2 H 1.81 . 2 220 21 GLN HB3 H 2.15 . 2 221 21 GLN CG C 36.17 . 1 222 21 GLN HG2 H 2.26 . 2 223 21 GLN HG3 H 2.36 . 2 224 21 GLN NE2 N 112.80 . 1 225 21 GLN HE21 H 7.08 . 2 226 21 GLN HE22 H 6.59 . 2 227 21 GLN C C 175.91 . 1 228 22 TYR N N 123.89 . 1 229 22 TYR H H 7.33 . 1 230 22 TYR CA C 55.17 . 1 231 22 TYR HA H 4.26 . 1 232 22 TYR CB C 35.97 . 1 233 22 TYR HB2 H 2.02 . 2 234 22 TYR HB3 H 2.46 . 2 235 22 TYR HD1 H 5.66 . 1 236 22 TYR HD2 H 5.66 . 1 237 22 TYR HE1 H 5.84 . 1 238 22 TYR HE2 H 5.84 . 1 239 22 TYR CD1 C 130.77 . 1 240 22 TYR CE1 C 117.07 . 1 241 22 TYR CE2 C 117.07 . 1 242 22 TYR CD2 C 130.77 . 1 243 22 TYR C C 173.11 . 1 244 23 HIS N N 115.99 . 1 245 23 HIS H H 7.99 . 1 246 23 HIS CA C 55.37 . 1 247 23 HIS HA H 4.98 . 1 249 23 HIS HB2 H 3.23 . 2 250 23 HIS HB3 H 3.05 . 2 251 23 HIS CD2 C 119.67 . 1 252 23 HIS CE1 C 135.67 . 1 253 23 HIS HD2 H 6.03 . 1 254 23 HIS HE1 H 7.89 . 1 255 23 HIS C C 175.41 . 1 256 24 GLY N N 112.99 . 1 257 24 GLY H H 9.20 . 1 258 24 GLY CA C 45.17 . 1 259 24 GLY HA2 H 4.06 . 2 260 24 GLY HA3 H 4.18 . 2 263 25 LYS H H 8.36 . 1 265 25 LYS HA H 4.97 . 1 267 25 LYS HB2 H 1.40 . 1 268 25 LYS HB3 H 1.40 . 1 269 25 LYS CG C 25.07 . 1 270 25 LYS HG2 H 1.30 . 2 271 25 LYS HG3 H 1.40 . 2 272 25 LYS CD C 28.97 . 1 273 25 LYS HD2 H 1.70 . 2 274 25 LYS HD3 H 1.80 . 2 275 25 LYS CE C 41.87 . 1 276 25 LYS HE2 H 3.00 . 2 277 25 LYS HE3 H 3.10 . 2 278 26 TRP CD1 C 126.77 . 1 279 26 TRP CE3 C 119.17 . 1 280 26 TRP NE1 N 125.90 . 1 281 26 TRP HD1 H 6.97 . 1 282 26 TRP HE3 H 7.17 . 1 283 26 TRP CZ3 C 121.07 . 1 284 26 TRP CZ2 C 114.57 . 1 285 26 TRP HE1 H 8.86 . 1 286 26 TRP HZ3 H 6.57 . 1 287 26 TRP CH2 C 123.57 . 1 288 26 TRP HZ2 H 7.46 . 1 289 26 TRP HH2 H 6.59 . 1 290 27 TRP CD1 C 127.37 . 1 291 27 TRP CE3 C 119.67 . 1 292 27 TRP NE1 N 127.50 . 1 293 27 TRP HD1 H 6.93 . 1 294 27 TRP HE3 H 6.99 . 1 295 27 TRP CZ3 C 121.87 . 1 296 27 TRP CZ2 C 113.87 . 1 297 27 TRP HE1 H 9.58 . 1 298 27 TRP HZ3 H 6.74 . 1 299 27 TRP CH2 C 124.17 . 1 300 27 TRP HZ2 H 6.55 . 1 301 27 TRP HH2 H 6.51 . 1 302 28 GLU CA C 55.57 . 1 303 28 GLU HA H 5.31 . 1 304 28 GLU CB C 30.07 . 1 305 28 GLU HB2 H 2.20 . 1 306 28 GLU HB3 H 2.20 . 1 307 28 GLU CG C 34.07 . 1 308 28 GLU HG2 H 2.30 . 2 309 28 GLU HG3 H 2.40 . 2 310 28 GLU C C 174.91 . 1 311 29 VAL N N 121.99 . 1 312 29 VAL H H 8.56 . 1 313 29 VAL CA C 63.77 . 1 314 29 VAL HA H 4.72 . 1 315 29 VAL CB C 32.27 . 1 316 29 VAL HB H 2.77 . 1 317 29 VAL HG1 H 1.17 . 2 318 29 VAL HG2 H 1.43 . 2 319 29 VAL CG1 C 20.07 . 1 320 29 VAL CG2 C 23.27 . 1 321 29 VAL C C 175.81 . 1 322 30 ALA N N 119.19 . 1 323 30 ALA H H 7.94 . 1 324 30 ALA CA C 51.37 . 1 325 30 ALA HA H 5.26 . 1 326 30 ALA HB H 0.75 . 1 327 30 ALA CB C 21.67 . 1 328 30 ALA C C 177.11 . 1 329 31 LYS N N 113.09 . 1 330 31 LYS H H 8.12 . 1 331 31 LYS CA C 55.77 . 1 332 31 LYS HA H 4.99 . 1 333 31 LYS CB C 34.07 . 1 334 31 LYS HB2 H 1.90 . 2 335 31 LYS HB3 H 2.02 . 2 336 31 LYS CG C 25.07 . 1 337 31 LYS HG2 H 1.70 . 1 338 31 LYS HG3 H 1.70 . 1 339 31 LYS CD C 28.97 . 1 340 31 LYS HD2 H 1.80 . 1 341 31 LYS HD3 H 1.80 . 1 342 31 LYS CE C 41.87 . 1 343 31 LYS HE2 H 3.00 . 1 344 31 LYS HE3 H 3.00 . 1 347 32 TYR H H 7.49 . 1 348 32 TYR CA C 52.77 . 1 349 32 TYR HA H 5.27 . 1 350 32 TYR CB C 36.17 . 1 351 32 TYR HB2 H 3.60 . 2 352 32 TYR HB3 H 3.26 . 2 353 32 TYR HD1 H 7.09 . 1 354 32 TYR HD2 H 7.09 . 1 355 32 TYR HE1 H 6.98 . 1 356 32 TYR HE2 H 6.98 . 1 357 32 TYR CD1 C 133.67 . 1 358 32 TYR CE1 C 118.27 . 1 359 32 TYR CE2 C 118.32 . 1 360 32 TYR CD2 C 133.67 . 1 361 33 PRO CD C 49.57 . 1 362 33 PRO CA C 61.97 . 1 363 33 PRO HA H 3.53 . 1 364 33 PRO CB C 32.47 . 1 365 33 PRO HB2 H 1.69 . 1 366 33 PRO HB3 H 1.69 . 1 367 33 PRO CG C 27.37 . 1 368 33 PRO HG2 H 1.76 . 1 369 33 PRO HG3 H 1.76 . 1 370 33 PRO HD2 H 3.17 . 2 371 33 PRO HD3 H 4.14 . 2 374 34 SER H H 6.45 . 1 375 34 SER CA C 56.67 . 1 376 34 SER HA H 5.15 . 1 377 34 SER CB C 64.37 . 1 378 34 SER HB2 H 3.98 . 1 379 34 SER HB3 H 3.98 . 1 380 35 PRO CD C 51.27 . 1 381 35 PRO CA C 64.17 . 1 382 35 PRO HA H 4.50 . 1 383 35 PRO CB C 32.47 . 1 384 35 PRO HB2 H 1.94 . 2 385 35 PRO HB3 H 2.47 . 2 386 35 PRO CG C 27.67 . 1 387 35 PRO HG2 H 2.08 . 2 388 35 PRO HG3 H 2.21 . 2 389 35 PRO HD2 H 3.76 . 2 390 35 PRO HD3 H 4.21 . 2 391 36 ASN N N 115.29 . 1 392 36 ASN H H 8.67 . 1 393 36 ASN CA C 53.57 . 1 394 36 ASN HA H 4.53 . 1 396 36 ASN HB2 H 2.92 . 1 397 36 ASN HB3 H 2.92 . 1 398 36 ASN ND2 N 112.50 . 1 399 36 ASN HD21 H 7.58 . 2 400 36 ASN HD22 H 6.95 . 2 401 36 ASN C C 176.11 . 1 402 37 GLY N N 105.89 . 1 403 37 GLY H H 8.47 . 1 404 37 GLY CA C 46.17 . 1 405 37 GLY HA2 H 3.86 . 2 406 37 GLY HA3 H 4.11 . 2 407 37 GLY C C 174.81 . 1 408 38 LYS N N 121.69 . 1 409 38 LYS H H 7.52 . 1 410 38 LYS CA C 55.17 . 1 411 38 LYS HA H 4.18 . 1 412 38 LYS CB C 30.17 . 1 413 38 LYS HB2 H 1.57 . 2 414 38 LYS HB3 H 1.73 . 2 415 38 LYS CG C 25.07 . 1 416 38 LYS HG2 H 1.24 . 2 417 38 LYS HG3 H 1.15 . 2 418 38 LYS CD C 28.97 . 1 419 38 LYS HD2 H 1.54 . 1 420 38 LYS HD3 H 1.54 . 1 421 38 LYS CE C 41.87 . 1 422 38 LYS HE2 H 2.83 . 1 423 38 LYS HE3 H 2.83 . 1 424 38 LYS C C 173.81 . 1 425 39 TYR N N 117.49 . 1 426 39 TYR H H 7.83 . 1 427 39 TYR CA C 56.17 . 1 428 39 TYR HA H 4.49 . 1 430 39 TYR HB2 H 3.14 . 2 431 39 TYR HB3 H 2.89 . 2 432 39 TYR HD1 H 6.98 . 1 433 39 TYR HD2 H 6.98 . 1 434 39 TYR HE1 H 6.88 . 1 435 39 TYR HE2 H 6.88 . 1 436 39 TYR CD1 C 133.37 . 1 437 39 TYR CE1 C 118.27 . 1 438 39 TYR CE2 C 118.19 . 1 439 39 TYR CD2 C 133.37 . 1 440 39 TYR C C 173.11 . 1 441 40 GLY N N 110.79 . 1 442 40 GLY H H 9.05 . 1 443 40 GLY CA C 44.27 . 1 444 40 GLY HA2 H 3.91 . 2 445 40 GLY HA3 H 4.44 . 2 446 40 GLY C C 173.71 . 1 447 41 LYS N N 119.39 . 1 448 41 LYS H H 8.31 . 1 449 41 LYS CA C 54.77 . 1 450 41 LYS HA H 4.82 . 1 451 41 LYS CB C 34.27 . 1 452 41 LYS HB2 H 1.50 . 2 453 41 LYS HB3 H 2.29 . 2 454 41 LYS CG C 25.27 . 1 455 41 LYS HG2 H 1.43 . 1 456 41 LYS HG3 H 1.43 . 1 457 41 LYS CD C 28.97 . 1 458 41 LYS HD2 H 1.73 . 1 459 41 LYS HD3 H 1.73 . 1 460 41 LYS CE C 41.87 . 1 461 41 LYS HE2 H 3.00 . 2 462 41 LYS HE3 H 3.10 . 2 463 41 LYS C C 174.31 . 1 464 42 CYS N N 122.09 . 1 465 42 CYS H H 9.18 . 1 466 42 CYS CA C 57.27 . 1 467 42 CYS HA H 4.97 . 1 469 42 CYS HB2 H 2.41 . 2 470 42 CYS HB3 H 3.88 . 2 471 42 CYS C C 172.41 . 1 472 43 GLY N N 110.99 . 1 473 43 GLY H H 8.73 . 1 474 43 GLY CA C 46.07 . 1 475 43 GLY HA2 H 3.88 . 2 476 43 GLY HA3 H 5.32 . 2 477 43 GLY C C 173.31 . 1 478 44 TRP N N 116.49 . 1 479 44 TRP H H 8.58 . 1 480 44 TRP CA C 56.17 . 1 481 44 TRP HA H 5.16 . 1 482 44 TRP CB C 31.87 . 1 483 44 TRP HB2 H 3.31 . 2 484 44 TRP HB3 H 2.73 . 2 485 44 TRP CD1 C 126.77 . 1 486 44 TRP CE3 C 120.27 . 1 487 44 TRP NE1 N 130.50 . 1 488 44 TRP HD1 H 6.75 . 1 489 44 TRP HE3 H 7.00 . 1 490 44 TRP CZ3 C 121.97 . 1 491 44 TRP CZ2 C 114.77 . 1 492 44 TRP HE1 H 9.62 . 1 493 44 TRP HZ3 H 7.11 . 1 494 44 TRP CH2 C 124.37 . 1 495 44 TRP HZ2 H 6.67 . 1 496 44 TRP HH2 H 6.88 . 1 497 44 TRP C C 173.01 . 1 498 45 ALA N N 121.39 . 1 499 45 ALA H H 9.41 . 1 500 45 ALA CA C 50.47 . 1 501 45 ALA HA H 5.27 . 1 502 45 ALA HB H 1.02 . 1 503 45 ALA CB C 23.57 . 1 504 45 ALA C C 174.91 . 1 505 46 GLU N N 120.29 . 1 506 46 GLU H H 8.94 . 1 507 46 GLU CA C 54.67 . 1 508 46 GLU HA H 5.09 . 1 509 46 GLU CB C 33.07 . 1 510 46 GLU HB2 H 1.89 . 2 511 46 GLU HB3 H 1.99 . 2 512 46 GLU CG C 34.07 . 1 513 46 GLU HG2 H 2.00 . 1 514 46 GLU HG3 H 2.00 . 1 515 46 GLU C C 175.31 . 1 516 47 TYR N N 125.89 . 1 517 47 TYR H H 8.68 . 1 518 47 TYR CA C 55.77 . 1 519 47 TYR HA H 5.41 . 1 520 47 TYR CB C 39.87 . 1 521 47 TYR HB2 H 2.42 . 2 522 47 TYR HB3 H 2.51 . 2 523 47 TYR HD1 H 6.54 . 1 524 47 TYR HD2 H 6.54 . 1 525 47 TYR HE1 H 6.07 . 1 526 47 TYR HE2 H 6.07 . 1 527 47 TYR CD1 C 131.87 . 1 528 47 TYR CE1 C 118.47 . 1 529 47 TYR CE2 C 118.46 . 1 530 47 TYR CD2 C 131.87 . 1 533 48 THR H H 9.39 . 1 534 48 THR CA C 59.67 . 1 535 48 THR HA H 5.05 . 1 536 48 THR CB C 71.07 . 1 537 48 THR HB H 4.10 . 1 538 48 THR HG2 H 1.29 . 1 539 48 THR CG2 C 20.99 . 1 540 49 PRO CD C 51.67 . 1 541 49 PRO CA C 63.97 . 1 542 49 PRO HA H 4.71 . 1 543 49 PRO CB C 32.47 . 1 544 49 PRO HB2 H 2.52 . 2 545 49 PRO HB3 H 2.11 . 2 546 49 PRO CG C 27.37 . 1 547 49 PRO HG2 H 1.96 . 2 548 49 PRO HG3 H 2.17 . 2 549 49 PRO HD2 H 3.95 . 1 550 49 PRO HD3 H 3.95 . 1 551 49 PRO C C 174.31 . 1 552 50 GLU N N 125.39 . 1 553 50 GLU H H 8.65 . 1 554 50 GLU CA C 55.67 . 1 555 50 GLU HA H 4.55 . 1 557 50 GLU HB2 H 1.96 . 2 558 50 GLU HB3 H 1.88 . 2 559 50 GLU CG C 36.37 . 1 560 50 GLU HG2 H 2.15 . 2 561 50 GLU HG3 H 2.26 . 2 562 50 GLU C C 175.61 . 1 563 51 GLY N N 115.09 . 1 564 51 GLY H H 8.81 . 1 565 51 GLY CA C 46.87 . 1 566 51 GLY HA2 H 3.69 . 2 567 51 GLY HA3 H 4.18 . 2 568 51 GLY C C 175.21 . 1 569 52 LYS N N 127.49 . 1 570 52 LYS H H 8.95 . 1 571 52 LYS CA C 56.57 . 1 572 52 LYS HA H 4.44 . 1 573 52 LYS CB C 32.37 . 1 574 52 LYS HB2 H 1.76 . 2 575 52 LYS HB3 H 1.97 . 2 576 52 LYS CG C 25.07 . 1 577 52 LYS HG2 H 1.45 . 1 578 52 LYS HG3 H 1.45 . 1 579 52 LYS CD C 28.97 . 1 580 52 LYS HD2 H 1.67 . 1 581 52 LYS HD3 H 1.67 . 1 582 52 LYS CE C 41.87 . 1 583 52 LYS HE2 H 2.93 . 1 584 52 LYS HE3 H 2.93 . 1 585 52 LYS C C 175.51 . 1 586 53 SER N N 112.59 . 1 587 53 SER H H 7.93 . 1 588 53 SER CA C 56.97 . 1 589 53 SER HA H 5.54 . 1 590 53 SER CB C 66.17 . 1 591 53 SER HB2 H 4.11 . 2 592 53 SER HB3 H 3.99 . 2 593 53 SER HG H 5.44 . 1 594 53 SER C C 174.11 . 1 595 54 VAL N N 117.19 . 1 596 54 VAL H H 9.56 . 1 597 54 VAL CA C 60.67 . 1 598 54 VAL HA H 4.94 . 1 599 54 VAL CB C 35.37 . 1 600 54 VAL HB H 1.99 . 1 601 54 VAL CG1 C 21.87 . 1 602 54 VAL CG2 C 21.87 . 1 603 54 VAL HG1 H 0.92 . 1 604 54 VAL HG2 H 0.92 . 1 605 54 VAL C C 174.71 . 1 606 55 LYS N N 125.79 . 1 607 55 LYS H H 9.11 . 1 608 55 LYS CA C 56.17 . 1 609 55 LYS HA H 4.73 . 1 610 55 LYS CB C 32.57 . 1 611 55 LYS HB2 H 1.98 . 2 612 55 LYS HB3 H 1.87 . 2 613 55 LYS CG C 24.77 . 1 614 55 LYS HG2 H 1.43 . 2 615 55 LYS HG3 H 1.57 . 2 616 55 LYS CD C 29.57 . 1 617 55 LYS HD2 H 1.55 . 2 618 55 LYS HD3 H 1.56 . 2 619 55 LYS CE C 41.87 . 1 620 55 LYS HE2 H 2.92 . 2 621 55 LYS HE3 H 2.94 . 2 622 55 LYS C C 175.61 . 1 623 56 VAL N N 126.59 . 1 624 56 VAL H H 8.85 . 1 625 56 VAL CA C 61.07 . 1 626 56 VAL HA H 4.37 . 1 627 56 VAL CB C 33.67 . 1 628 56 VAL HB H 1.59 . 1 629 56 VAL HG1 H 0.55 . 2 630 56 VAL HG2 H 0.70 . 2 631 56 VAL CG1 C 21.07 . 1 632 56 VAL CG2 C 21.07 . 1 633 56 VAL C C 175.11 . 1 634 57 SER N N 123.69 . 1 635 57 SER H H 8.68 . 1 636 57 SER CA C 56.97 . 1 637 57 SER HA H 4.99 . 1 638 57 SER CB C 64.07 . 1 639 57 SER HB2 H 3.92 . 2 640 57 SER HB3 H 3.82 . 2 641 57 SER C C 172.61 . 1 642 58 ARG N N 125.39 . 1 643 58 ARG H H 8.77 . 1 644 58 ARG CA C 54.37 . 1 645 58 ARG HA H 4.75 . 1 646 58 ARG CB C 33.27 . 1 647 58 ARG HB2 H 1.76 . 2 648 58 ARG HB3 H 1.36 . 2 649 58 ARG CG C 28.47 . 1 650 58 ARG HG2 H 1.34 . 1 651 58 ARG HG3 H 1.34 . 1 652 58 ARG CD C 41.67 . 1 653 58 ARG HD2 H 2.85 . 1 654 58 ARG HD3 H 2.85 . 1 655 58 ARG C C 173.31 . 1 656 59 TYR N N 124.19 . 1 657 59 TYR H H 8.23 . 1 658 59 TYR CA C 55.87 . 1 659 59 TYR HA H 4.95 . 1 660 59 TYR CB C 41.47 . 1 661 59 TYR HB2 H 2.00 . 2 662 59 TYR HB3 H 2.50 . 2 663 59 TYR HD1 H 6.13 . 1 664 59 TYR HD2 H 6.13 . 1 665 59 TYR HE1 H 6.43 . 1 666 59 TYR HE2 H 6.43 . 1 667 59 TYR CD1 C 133.37 . 1 668 59 TYR CE1 C 117.37 . 1 669 59 TYR CE2 C 117.34 . 1 670 59 TYR CD2 C 133.37 . 1 673 60 ASP H H 8.00 . 1 674 60 ASP CA C 53.07 . 1 675 60 ASP HA H 4.93 . 1 676 60 ASP CB C 45.67 . 1 677 60 ASP HB2 H 2.33 . 2 678 60 ASP HB3 H 2.10 . 2 679 61 VAL CA C 62.07 . 1 680 61 VAL HA H 4.64 . 1 681 61 VAL CB C 33.57 . 1 682 61 VAL HB H 2.12 . 1 683 61 VAL HG1 H 0.68 . 2 684 61 VAL HG2 H 1.10 . 2 685 61 VAL CG1 C 21.57 . 1 686 61 VAL CG2 C 21.97 . 1 687 61 VAL C C 176.61 . 1 688 62 ILE N N 127.79 . 1 689 62 ILE H H 9.19 . 1 690 62 ILE CA C 60.97 . 1 691 62 ILE HA H 4.03 . 1 692 62 ILE CB C 39.47 . 1 693 62 ILE HB H 1.66 . 1 694 62 ILE HG2 H 0.33 . 1 695 62 ILE CG2 C 16.37 . 1 696 62 ILE CG1 C 26.57 . 1 697 62 ILE HG12 H 1.10 . 1 698 62 ILE HG13 H 1.10 . 1 699 62 ILE HD1 H 0.18 . 1 700 62 ILE CD1 C 12.57 . 1 701 62 ILE C C 175.91 . 1 702 63 HIS N N 128.79 . 1 703 63 HIS H H 9.78 . 1 704 63 HIS CA C 56.77 . 1 705 63 HIS HA H 4.28 . 1 707 63 HIS HB2 H 2.80 . 1 708 63 HIS HB3 H 2.80 . 1 709 63 HIS CD2 C 119.27 . 1 710 63 HIS CE1 C 136.67 . 1 711 63 HIS HD2 H 7.07 . 1 712 63 HIS HE1 H 8.05 . 1 713 63 HIS C C 175.51 . 1 714 64 GLY N N 102.96 . 1 715 64 GLY H H 8.39 . 1 716 64 GLY CA C 45.47 . 1 717 64 GLY HA2 H 4.16 . 2 718 64 GLY HA3 H 3.91 . 2 719 64 GLY C C 173.21 . 1 720 65 LYS N N 120.69 . 1 721 65 LYS H H 7.78 . 1 722 65 LYS CA C 54.27 . 1 723 65 LYS HA H 4.72 . 1 724 65 LYS CB C 34.67 . 1 725 65 LYS HB2 H 1.78 . 1 726 65 LYS HB3 H 1.78 . 1 727 65 LYS CG C 24.97 . 1 728 65 LYS HG2 H 1.23 . 2 729 65 LYS HG3 H 1.41 . 2 730 65 LYS CD C 28.97 . 1 731 65 LYS HD2 H 1.66 . 1 732 65 LYS HD3 H 1.66 . 1 733 65 LYS CE C 41.87 . 1 734 65 LYS HE2 H 2.93 . 1 735 65 LYS HE3 H 2.93 . 1 736 65 LYS C C 174.41 . 1 737 66 GLU N N 122.79 . 1 738 66 GLU H H 8.67 . 1 739 66 GLU CA C 56.57 . 1 740 66 GLU HA H 4.43 . 1 741 66 GLU CB C 31.67 . 1 742 66 GLU HB2 H 1.99 . 2 743 66 GLU HB3 H 1.81 . 2 744 66 GLU CG C 37.87 . 1 745 66 GLU HG2 H 2.13 . 2 746 66 GLU HG3 H 2.34 . 2 747 66 GLU C C 178.81 . 1 748 67 TYR N N 124.29 . 1 749 67 TYR H H 8.74 . 1 750 67 TYR CA C 57.67 . 1 751 67 TYR HA H 4.50 . 1 752 67 TYR CB C 40.87 . 1 753 67 TYR HB2 H 2.62 . 2 754 67 TYR HB3 H 2.65 . 2 755 67 TYR HD1 H 6.98 . 1 756 67 TYR HD2 H 6.98 . 1 757 67 TYR HE1 H 6.70 . 1 758 67 TYR HE2 H 6.70 . 1 759 67 TYR CD1 C 133.47 . 1 760 67 TYR CE1 C 117.97 . 1 761 67 TYR CE2 C 117.99 . 1 762 67 TYR CD2 C 133.47 . 1 763 67 TYR C C 173.11 . 1 764 68 PHE N N 122.49 . 1 765 68 PHE H H 8.25 . 1 766 68 PHE CA C 55.57 . 1 767 68 PHE HA H 5.30 . 1 768 68 PHE CB C 42.07 . 1 769 68 PHE HB2 H 2.81 . 1 770 68 PHE HB3 H 2.81 . 1 771 68 PHE HD1 H 6.94 . 1 772 68 PHE HD2 H 6.94 . 1 773 68 PHE HE1 H 7.12 . 1 774 68 PHE HE2 H 7.12 . 1 775 68 PHE CD1 C 133.27 . 1 776 68 PHE CE1 C 131.17 . 1 777 68 PHE CZ C 129.77 . 1 778 68 PHE HZ H 7.23 . 1 779 68 PHE CE2 C 133.27 . 1 780 68 PHE CD2 C 133.27 . 1 781 68 PHE C C 174.81 . 1 782 69 MET N N 123.89 . 1 783 69 MET H H 8.43 . 1 784 69 MET CA C 54.57 . 1 785 69 MET HA H 4.47 . 1 786 69 MET CB C 35.87 . 1 787 69 MET HB2 H 1.76 . 1 788 69 MET HB3 H 1.76 . 1 789 69 MET CG C 31.67 . 1 790 69 MET HG2 H 2.32 . 1 791 69 MET HG3 H 2.32 . 1 792 69 MET C C 173.41 . 1 793 70 GLU N N 123.29 . 1 794 70 GLU H H 8.44 . 1 795 70 GLU CA C 54.37 . 1 796 70 GLU HA H 5.41 . 1 798 70 GLU HB2 H 1.97 . 2 799 70 GLU HB3 H 2.03 . 2 800 70 GLU CG C 36.57 . 1 801 70 GLU HG2 H 2.17 . 1 802 70 GLU HG3 H 2.17 . 1 803 70 GLU C C 175.91 . 1 804 71 GLY N N 110.69 . 1 805 71 GLY H H 8.67 . 1 806 71 GLY CA C 45.27 . 1 807 71 GLY HA2 H 4.11 . 2 808 71 GLY HA3 H 4.64 . 2 809 71 GLY C C 172.71 . 1 810 72 THR N N 116.59 . 1 811 72 THR H H 8.94 . 1 812 72 THR CA C 61.27 . 1 813 72 THR HA H 5.44 . 1 814 72 THR CB C 72.37 . 1 815 72 THR HB H 4.08 . 1 816 72 THR HG2 H 1.32 . 1 817 72 THR C C 174.91 . 1 818 73 ALA N N 126.19 . 1 819 73 ALA H H 9.58 . 1 820 73 ALA CA C 50.57 . 1 821 73 ALA HA H 6.04 . 1 822 73 ALA HB H 1.37 . 1 823 73 ALA CB C 22.17 . 1 826 74 TYR H H 8.41 . 1 827 74 TYR CA C 55.27 . 1 828 74 TYR HA H 5.21 . 1 829 74 TYR CB C 36.77 . 1 830 74 TYR HB2 H 2.93 . 2 831 74 TYR HB3 H 3.39 . 2 832 74 TYR HD1 H 6.97 . 1 833 74 TYR HD2 H 6.97 . 1 834 74 TYR HE1 H 6.65 . 1 835 74 TYR HE2 H 6.65 . 1 836 74 TYR CD1 C 134.37 . 1 837 74 TYR CE1 C 117.77 . 1 838 74 TYR CE2 C 117.81 . 1 839 74 TYR CD2 C 134.37 . 1 840 75 PRO CD C 50.47 . 1 841 75 PRO CA C 63.27 . 1 842 75 PRO HA H 4.31 . 1 843 75 PRO CB C 31.97 . 1 844 75 PRO HB2 H 2.17 . 2 845 75 PRO HB3 H 1.71 . 2 846 75 PRO CG C 27.37 . 1 847 75 PRO HG2 H 1.91 . 1 848 75 PRO HG3 H 1.91 . 1 849 75 PRO HD2 H 3.35 . 2 850 75 PRO HD3 H 3.63 . 2 851 75 PRO C C 176.11 . 1 852 76 VAL N N 121.49 . 1 853 76 VAL H H 7.81 . 1 854 76 VAL CA C 64.67 . 1 855 76 VAL HA H 3.62 . 1 857 76 VAL HB H 1.35 . 1 858 76 VAL HG1 H 0.65 . 2 859 76 VAL HG2 H -0.15 . 2 860 76 VAL CG1 C 20.77 . 1 861 76 VAL CG2 C 21.47 . 1 862 76 VAL C C 177.01 . 1 863 77 GLY N N 108.99 . 1 864 77 GLY H H 8.39 . 1 865 77 GLY CA C 44.97 . 1 866 77 GLY HA2 H 3.48 . 2 867 77 GLY HA3 H 4.19 . 2 868 77 GLY C C 172.71 . 1 869 78 ASP N N 129.69 . 1 870 78 ASP H H 8.62 . 1 871 78 ASP CA C 55.07 . 1 872 78 ASP HA H 4.44 . 1 873 78 ASP CB C 42.17 . 1 874 78 ASP HB2 H 2.69 . 1 875 78 ASP HB3 H 2.69 . 1 876 78 ASP C C 175.21 . 1 877 79 SER N N 124.39 . 1 878 79 SER H H 8.79 . 1 879 79 SER CA C 60.97 . 1 880 79 SER HA H 4.08 . 1 881 79 SER CB C 62.87 . 1 882 79 SER HB2 H 3.71 . 2 883 79 SER HB3 H 3.98 . 2 884 79 SER C C 174.11 . 1 885 80 LYS N N 118.69 . 1 886 80 LYS H H 8.23 . 1 887 80 LYS CA C 56.97 . 1 888 80 LYS HA H 5.14 . 1 889 80 LYS CB C 32.37 . 1 890 80 LYS HB2 H 1.89 . 2 891 80 LYS HB3 H 1.74 . 2 892 80 LYS CG C 25.07 . 1 893 80 LYS HG2 H 1.55 . 1 894 80 LYS HG3 H 1.55 . 1 895 80 LYS CD C 28.97 . 1 896 80 LYS HD2 H 1.73 . 2 897 80 LYS HD3 H 1.80 . 2 898 80 LYS CE C 41.87 . 1 899 80 LYS HE2 H 2.90 . 2 900 80 LYS HE3 H 3.04 . 2 901 80 LYS C C 177.41 . 1 902 81 ILE N N 117.49 . 1 903 81 ILE H H 7.63 . 1 904 81 ILE CA C 58.87 . 1 905 81 ILE HA H 4.55 . 1 907 81 ILE HB H 2.19 . 1 908 81 ILE HG2 H 0.88 . 1 909 81 ILE CG2 C 17.67 . 1 910 81 ILE CG1 C 27.27 . 1 911 81 ILE HG12 H 1.55 . 2 912 81 ILE HG13 H 1.36 . 2 913 81 ILE HD1 H 0.88 . 1 914 81 ILE CD1 C 11.27 . 1 915 81 ILE C C 178.91 . 1 916 82 GLY N N 114.39 . 1 917 82 GLY H H 9.14 . 1 918 82 GLY CA C 48.07 . 1 919 82 GLY HA2 H 3.81 . 2 920 82 GLY HA3 H 3.05 . 2 921 82 GLY C C 172.41 . 1 922 83 LYS N N 126.49 . 1 923 83 LYS H H 8.71 . 1 924 83 LYS CA C 56.07 . 1 925 83 LYS HA H 4.67 . 1 926 83 LYS CB C 34.57 . 1 927 83 LYS HB2 H 1.35 . 2 928 83 LYS HB3 H 1.36 . 2 929 83 LYS CG C 25.07 . 1 930 83 LYS HG2 H 1.09 . 2 931 83 LYS HG3 H 1.15 . 2 932 83 LYS CD C 28.97 . 1 933 83 LYS HD2 H 1.50 . 2 934 83 LYS HD3 H 1.52 . 2 935 83 LYS CE C 41.87 . 1 936 83 LYS HE2 H 2.80 . 2 937 83 LYS HE3 H 2.82 . 2 938 83 LYS C C 175.11 . 1 939 84 ILE N N 128.39 . 1 940 84 ILE H H 8.71 . 1 941 84 ILE CA C 60.97 . 1 942 84 ILE HA H 4.09 . 1 943 84 ILE CB C 42.47 . 1 944 84 ILE HB H 0.85 . 1 945 84 ILE HG2 H 0.97 . 1 946 84 ILE CG2 C 17.07 . 1 947 84 ILE CG1 C 27.67 . 1 948 84 ILE HG12 H 1.30 . 2 949 84 ILE HG13 H 1.20 . 2 950 84 ILE HD1 H 0.68 . 1 951 84 ILE CD1 C 13.07 . 1 952 84 ILE C C 174.11 . 1 953 85 TYR N N 125.19 . 1 954 85 TYR H H 9.07 . 1 955 85 TYR CA C 57.67 . 1 956 85 TYR HA H 5.16 . 1 957 85 TYR CB C 39.37 . 1 958 85 TYR HB2 H 2.09 . 2 959 85 TYR HB3 H 2.27 . 2 960 85 TYR HD1 H 6.84 . 1 961 85 TYR HD2 H 6.84 . 1 962 85 TYR HE1 H 6.64 . 1 963 85 TYR HE2 H 6.64 . 1 964 85 TYR CD1 C 133.37 . 1 965 85 TYR CE1 C 117.87 . 1 966 85 TYR CE2 C 117.93 . 1 967 85 TYR CD2 C 133.37 . 1 968 85 TYR C C 175.71 . 1 969 86 HIS N N 120.69 . 1 970 86 HIS H H 9.24 . 1 971 86 HIS CA C 54.97 . 1 972 86 HIS HA H 5.32 . 1 973 86 HIS CB C 32.57 . 1 974 86 HIS HB2 H 2.82 . 2 975 86 HIS HB3 H 3.00 . 2 976 86 HIS CD2 C 121.47 . 1 977 86 HIS CE1 C 135.77 . 1 978 86 HIS HD2 H 6.82 . 1 979 86 HIS HE1 H 8.31 . 1 980 86 HIS C C 174.81 . 1 981 87 SER N N 120.99 . 1 982 87 SER H H 9.27 . 1 983 87 SER CA C 56.47 . 1 984 87 SER HA H 5.42 . 1 985 87 SER CB C 65.27 . 1 986 87 SER HB2 H 3.78 . 2 987 87 SER HB3 H 3.50 . 2 988 87 SER C C 172.91 . 1 989 88 ARG N N 123.29 . 1 990 88 ARG H H 8.54 . 1 991 88 ARG CA C 54.87 . 1 992 88 ARG HA H 4.87 . 1 993 88 ARG CB C 33.57 . 1 994 88 ARG HB2 H 1.87 . 1 995 88 ARG HB3 H 1.87 . 1 996 88 ARG CG C 26.77 . 1 997 88 ARG HG2 H 1.60 . 1 998 88 ARG HG3 H 1.60 . 1 999 88 ARG CD C 43.77 . 1 1000 88 ARG HD2 H 3.02 . 2 1001 88 ARG HD3 H 3.13 . 2 1002 88 ARG C C 173.41 . 1 1003 89 THR N N 120.69 . 1 1004 89 THR H H 8.96 . 1 1005 89 THR CA C 61.87 . 1 1006 89 THR HA H 4.97 . 1 1007 89 THR CB C 69.57 . 1 1008 89 THR HB H 3.89 . 1 1009 89 THR HG2 H 1.02 . 1 1010 89 THR CG2 C 21.27 . 1 1011 89 THR C C 173.91 . 1 1012 90 VAL N N 126.99 . 1 1013 90 VAL H H 8.82 . 1 1014 90 VAL CA C 61.47 . 1 1015 90 VAL HA H 4.30 . 1 1017 90 VAL HB H 2.00 . 1 1018 90 VAL CG1 C 20.47 . 1 1019 90 VAL CG2 C 20.47 . 1 1020 90 VAL HG1 H 0.91 . 1 1021 90 VAL HG2 H 0.91 . 1 1022 90 VAL C C 176.71 . 1 1023 91 GLY N N 118.09 . 1 1024 91 GLY H H 9.21 . 1 1025 91 GLY CA C 46.77 . 1 1026 91 GLY HA2 H 3.84 . 1 1027 91 GLY HA3 H 3.84 . 1 1028 91 GLY C C 175.01 . 1 1029 92 GLY N N 106.19 . 1 1030 92 GLY H H 8.37 . 1 1031 92 GLY CA C 44.67 . 1 1032 92 GLY HA2 H 3.56 . 2 1033 92 GLY HA3 H 3.95 . 2 1034 92 GLY C C 172.71 . 1 1035 93 TYR N N 120.39 . 1 1036 93 TYR H H 7.78 . 1 1037 93 TYR CA C 56.97 . 1 1038 93 TYR HA H 4.83 . 1 1039 93 TYR CB C 40.57 . 1 1040 93 TYR HB2 H 2.90 . 2 1041 93 TYR HB3 H 3.08 . 2 1042 93 TYR HD1 H 7.15 . 1 1043 93 TYR HD2 H 7.15 . 1 1044 93 TYR HE1 H 6.81 . 1 1045 93 TYR HE2 H 6.81 . 1 1046 93 TYR CD1 C 133.57 . 1 1047 93 TYR CE1 C 118.07 . 1 1048 93 TYR CE2 C 118.12 . 1 1049 93 TYR CD2 C 133.57 . 1 1050 93 TYR C C 174.51 . 1 1051 94 THR N N 120.89 . 1 1052 94 THR H H 8.70 . 1 1053 94 THR CA C 62.47 . 1 1054 94 THR HA H 4.74 . 1 1055 94 THR CB C 69.57 . 1 1056 94 THR HB H 3.89 . 1 1057 94 THR HG2 H 1.03 . 1 1058 94 THR CG2 C 21.57 . 1 1059 94 THR C C 173.51 . 1 1060 95 LYS N N 128.19 . 1 1061 95 LYS H H 8.94 . 1 1062 95 LYS CA C 54.87 . 1 1063 95 LYS HA H 4.62 . 1 1064 95 LYS CB C 34.67 . 1 1065 95 LYS HB2 H 1.84 . 2 1066 95 LYS HB3 H 1.71 . 2 1067 95 LYS CG C 24.77 . 1 1068 95 LYS HG2 H 1.41 . 1 1069 95 LYS HG3 H 1.41 . 1 1070 95 LYS CD C 28.97 . 1 1071 95 LYS HD2 H 1.70 . 1 1072 95 LYS HD3 H 1.70 . 1 1073 95 LYS CE C 41.87 . 1 1074 95 LYS HE2 H 2.92 . 2 1075 95 LYS HE3 H 3.05 . 2 1076 95 LYS C C 174.71 . 1 1077 96 LYS N N 126.09 . 1 1078 96 LYS H H 8.81 . 1 1079 96 LYS CA C 55.07 . 1 1080 96 LYS HA H 5.41 . 1 1081 96 LYS CB C 34.77 . 1 1082 96 LYS HB2 H 1.64 . 2 1083 96 LYS HB3 H 1.55 . 2 1084 96 LYS CG C 24.37 . 1 1085 96 LYS HG2 H 1.17 . 1 1086 96 LYS HG3 H 1.17 . 1 1087 96 LYS CD C 28.97 . 1 1088 96 LYS HD2 H 1.24 . 2 1089 96 LYS HD3 H 1.03 . 2 1090 96 LYS CE C 41.07 . 1 1091 96 LYS HE2 H 2.41 . 1 1092 96 LYS HE3 H 2.41 . 1 1093 96 LYS C C 175.61 . 1 1094 97 THR N N 118.29 . 1 1095 97 THR H H 9.08 . 1 1096 97 THR CA C 60.57 . 1 1097 97 THR HA H 4.80 . 1 1098 97 THR CB C 71.87 . 1 1099 97 THR HB H 4.27 . 1 1100 97 THR HG2 H 1.26 . 1 1101 97 THR CG2 C 21.77 . 1 1103 98 VAL N N 122.49 . 1 1104 98 VAL H H 8.72 . 1 1105 98 VAL CA C 61.97 . 1 1106 98 VAL HA H 4.70 . 1 1107 98 VAL CB C 33.57 . 1 1108 98 VAL HB H 1.96 . 1 1109 98 VAL HG1 H 0.67 . 2 1110 98 VAL HG2 H 0.87 . 2 1111 98 VAL CG1 C 21.47 . 1 1112 98 VAL CG2 C 22.47 . 1 1113 99 PHE N N 128.19 . 1 1114 99 PHE H H 9.72 . 1 1115 99 PHE CA C 55.57 . 1 1116 99 PHE HA H 5.01 . 1 1117 99 PHE CB C 41.07 . 1 1118 99 PHE HB2 H 2.98 . 1 1119 99 PHE HB3 H 2.98 . 1 1120 99 PHE HD1 H 6.85 . 1 1121 99 PHE HD2 H 6.85 . 1 1122 99 PHE HE1 H 6.87 . 1 1123 99 PHE HE2 H 6.87 . 1 1124 99 PHE CD1 C 132.17 . 1 1125 99 PHE CE1 C 131.07 . 1 1126 99 PHE CZ C 130.47 . 1 1127 99 PHE HZ H 6.96 . 1 1128 99 PHE CE2 C 132.17 . 1 1129 99 PHE CD2 C 132.17 . 1 1130 100 ASN N N 119.29 . 1 1131 100 ASN H H 9.25 . 1 1132 100 ASN CA C 51.67 . 1 1133 100 ASN HA H 5.54 . 1 1134 100 ASN CB C 43.37 . 1 1135 100 ASN HB2 H 1.92 . 2 1136 100 ASN HB3 H 2.68 . 2 1137 100 ASN ND2 N 111.00 . 1 1138 100 ASN HD21 H 7.11 . 2 1139 100 ASN HD22 H 6.61 . 2 1140 100 ASN C C 174.31 . 1 1141 101 VAL N N 123.09 . 1 1142 101 VAL H H 9.31 . 1 1143 101 VAL CA C 62.07 . 1 1144 101 VAL HA H 4.12 . 1 1145 101 VAL CB C 31.17 . 1 1146 101 VAL HB H 1.66 . 1 1147 101 VAL CG1 C 19.67 . 1 1148 101 VAL CG2 C 19.67 . 1 1149 101 VAL HG1 H 0.24 . 1 1150 101 VAL HG2 H 0.24 . 1 1151 101 VAL C C 174.71 . 1 1152 102 LEU N N 125.99 . 1 1153 102 LEU H H 8.54 . 1 1154 102 LEU CA C 55.37 . 1 1155 102 LEU HA H 4.12 . 1 1156 102 LEU CB C 41.37 . 1 1157 102 LEU HB2 H 1.56 . 2 1158 102 LEU HB3 H 1.01 . 2 1159 102 LEU CG C 26.57 . 1 1160 102 LEU HG H 1.40 . 1 1161 102 LEU HD1 H 0.44 . 2 1162 102 LEU HD2 H 0.60 . 2 1163 102 LEU CD1 C 21.07 . 1 1164 102 LEU CD2 C 25.07 . 1 1165 102 LEU C C 177.31 . 1 1166 103 SER N N 107.69 . 1 1167 103 SER H H 6.87 . 1 1168 103 SER CA C 56.87 . 1 1169 103 SER HA H 4.29 . 1 1170 103 SER CB C 63.27 . 1 1171 103 SER HB2 H 2.82 . 1 1172 103 SER HB3 H 2.82 . 1 1173 103 SER C C 172.41 . 1 1174 104 THR N N 121.19 . 1 1175 104 THR H H 8.52 . 1 1176 104 THR CA C 61.27 . 1 1177 104 THR HA H 3.83 . 1 1178 104 THR CB C 68.17 . 1 1179 104 THR HB H 4.37 . 1 1180 104 THR HG2 H 1.05 . 1 1181 104 THR CG2 C 17.67 . 1 1182 104 THR C C 169.81 . 1 1183 105 ASP N N 123.49 . 1 1184 105 ASP H H 6.85 . 1 1185 105 ASP CA C 52.67 . 1 1186 105 ASP HA H 4.84 . 1 1187 105 ASP CB C 40.67 . 1 1188 105 ASP HB2 H 2.77 . 2 1189 105 ASP HB3 H 3.20 . 2 1190 105 ASP C C 176.41 . 1 1191 106 ASN N N 115.09 . 1 1192 106 ASN H H 9.52 . 1 1193 106 ASN CA C 54.97 . 1 1194 106 ASN HA H 4.27 . 1 1195 106 ASN CB C 38.27 . 1 1196 106 ASN HB2 H 2.80 . 2 1197 106 ASN HB3 H 3.02 . 2 1198 106 ASN ND2 N 113.70 . 1 1199 106 ASN HD21 H 7.44 . 2 1200 106 ASN HD22 H 6.88 . 2 1201 106 ASN C C 174.11 . 1 1202 107 LYS N N 113.39 . 1 1203 107 LYS H H 7.99 . 1 1204 107 LYS CA C 59.17 . 1 1205 107 LYS HA H 4.38 . 1 1206 107 LYS CB C 36.77 . 1 1207 107 LYS HB2 H 1.54 . 2 1208 107 LYS HB3 H 1.65 . 2 1209 107 LYS CG C 24.37 . 1 1210 107 LYS HG2 H 1.30 . 2 1211 107 LYS HG3 H 1.33 . 2 1212 107 LYS CD C 28.67 . 1 1213 107 LYS HD2 H 1.68 . 1 1214 107 LYS HD3 H 1.68 . 1 1215 107 LYS CE C 41.87 . 1 1216 107 LYS HE2 H 2.94 . 1 1217 107 LYS HE3 H 2.94 . 1 1218 107 LYS C C 174.61 . 1 1219 108 ASN N N 118.39 . 1 1220 108 ASN H H 10.99 . 1 1221 108 ASN CA C 55.37 . 1 1222 108 ASN HA H 5.09 . 1 1223 108 ASN CB C 42.57 . 1 1224 108 ASN HB2 H 3.52 . 2 1225 108 ASN HB3 H 3.08 . 2 1226 108 ASN ND2 N 117.80 . 1 1227 108 ASN HD21 H 8.45 . 2 1228 108 ASN HD22 H 7.29 . 2 1229 108 ASN C C 175.21 . 1 1230 109 TYR N N 117.09 . 1 1231 109 TYR H H 8.54 . 1 1232 109 TYR CA C 57.37 . 1 1233 109 TYR HA H 6.50 . 1 1234 109 TYR CB C 42.37 . 1 1235 109 TYR HB2 H 3.20 . 2 1236 109 TYR HB3 H 2.85 . 2 1237 109 TYR HD1 H 6.87 . 1 1238 109 TYR HD2 H 6.87 . 1 1239 109 TYR HE1 H 6.67 . 1 1240 109 TYR HE2 H 6.67 . 1 1241 109 TYR CD1 C 133.27 . 1 1242 109 TYR CE1 C 117.77 . 1 1243 109 TYR CE2 C 117.82 . 1 1244 109 TYR CD2 C 133.27 . 1 1245 109 TYR C C 172.91 . 1 1246 110 ILE N N 122.39 . 1 1247 110 ILE H H 9.13 . 1 1248 110 ILE CA C 62.17 . 1 1249 110 ILE HA H 4.04 . 1 1250 110 ILE CB C 44.87 . 1 1251 110 ILE HB H 1.29 . 1 1252 110 ILE HG2 H 0.70 . 1 1253 110 ILE CG2 C 17.67 . 1 1254 110 ILE CG1 C 28.67 . 1 1255 110 ILE HG12 H 0.59 . 2 1256 110 ILE HG13 H 1.25 . 2 1257 110 ILE HD1 H -0.17 . 1 1258 110 ILE CD1 C 12.77 . 1 1261 111 ILE H H 8.65 . 1 1263 111 ILE HA H 5.04 . 1 1265 111 ILE HB H 1.54 . 1 1266 111 ILE HG2 H 0.70 . 1 1267 111 ILE CG2 C 16.17 . 1 1268 111 ILE CG1 C 28.77 . 1 1269 111 ILE HG12 H 0.77 . 2 1270 111 ILE HG13 H 1.23 . 2 1271 111 ILE HD1 H 0.96 . 1 1272 111 ILE CD1 C 14.27 . 1 1273 113 TYR CA C 56.77 . 1 1274 113 TYR HA H 5.55 . 1 1275 113 TYR CB C 44.17 . 1 1276 113 TYR HB2 H 2.26 . 2 1277 113 TYR HB3 H 2.89 . 2 1278 113 TYR HD1 H 6.76 . 1 1279 113 TYR HD2 H 6.76 . 1 1280 113 TYR HE1 H 6.59 . 1 1281 113 TYR HE2 H 6.59 . 1 1282 113 TYR CD1 C 132.47 . 1 1283 113 TYR CE1 C 117.17 . 1 1284 113 TYR CE2 C 117.19 . 1 1285 113 TYR CD2 C 132.47 . 1 1286 113 TYR C C 174.41 . 1 1287 114 SER N N 124.29 . 1 1288 114 SER H H 8.74 . 1 1289 114 SER CA C 56.67 . 1 1290 114 SER HA H 4.76 . 1 1291 114 SER CB C 67.37 . 1 1292 114 SER HB2 H 3.80 . 2 1293 114 SER HB3 H 3.99 . 2 1294 114 SER C C 170.61 . 1 1295 115 CYS N N 120.19 . 1 1296 115 CYS H H 8.80 . 1 1297 115 CYS CA C 56.27 . 1 1298 115 CYS HA H 5.25 . 1 1299 115 CYS CB C 45.07 . 1 1300 115 CYS HB2 H 2.92 . 2 1301 115 CYS HB3 H 3.51 . 2 1302 115 CYS C C 172.81 . 1 1303 116 ARG N N 129.99 . 1 1304 116 ARG H H 9.17 . 1 1305 116 ARG CA C 54.47 . 1 1306 116 ARG HA H 5.05 . 1 1307 116 ARG CB C 33.17 . 1 1308 116 ARG HB2 H 2.11 . 2 1309 116 ARG HB3 H 1.98 . 2 1310 116 ARG CG C 27.47 . 1 1311 116 ARG HG2 H 1.79 . 1 1312 116 ARG HG3 H 1.79 . 1 1313 116 ARG CD C 43.37 . 1 1314 116 ARG HD2 H 3.15 . 2 1315 116 ARG HD3 H 3.32 . 2 1316 116 ARG C C 174.31 . 1 1317 117 TYR N N 127.29 . 1 1318 117 TYR H H 9.32 . 1 1319 117 TYR CA C 58.47 . 1 1320 117 TYR HA H 4.85 . 1 1321 117 TYR CB C 40.07 . 1 1322 117 TYR HB2 H 3.20 . 2 1323 117 TYR HB3 H 3.07 . 2 1324 117 TYR HD1 H 7.13 . 1 1325 117 TYR HD2 H 7.13 . 1 1326 117 TYR HE1 H 6.64 . 1 1327 117 TYR HE2 H 6.64 . 1 1328 117 TYR CD1 C 133.47 . 1 1329 117 TYR CE1 C 117.87 . 1 1330 117 TYR CE2 C 117.90 . 1 1331 117 TYR CD2 C 133.47 . 1 1332 117 TYR C C 174.21 . 1 1333 118 ASP N N 129.29 . 1 1334 118 ASP H H 8.93 . 1 1335 118 ASP CA C 52.67 . 1 1336 118 ASP HA H 4.84 . 1 1337 118 ASP CB C 42.87 . 1 1338 118 ASP HB2 H 2.97 . 2 1339 118 ASP HB3 H 2.54 . 2 1340 118 ASP C C 175.31 . 1 1341 119 GLU N N 124.29 . 1 1342 119 GLU H H 8.88 . 1 1343 119 GLU CA C 58.67 . 1 1344 119 GLU HA H 3.94 . 1 1345 119 GLU CB C 29.77 . 1 1346 119 GLU HB2 H 2.15 . 1 1347 119 GLU HB3 H 2.15 . 1 1348 119 GLU CG C 35.77 . 1 1349 119 GLU HG2 H 2.46 . 1 1350 119 GLU HG3 H 2.46 . 1 1351 119 GLU C C 177.41 . 1 1352 120 ASP N N 117.89 . 1 1353 120 ASP H H 8.28 . 1 1354 120 ASP CA C 56.47 . 1 1355 120 ASP HA H 4.52 . 1 1356 120 ASP CB C 41.07 . 1 1357 120 ASP HB2 H 2.80 . 2 1358 120 ASP HB3 H 2.71 . 2 1359 120 ASP C C 177.31 . 1 1360 121 LYS N N 117.09 . 1 1361 121 LYS H H 7.66 . 1 1362 121 LYS CA C 56.37 . 1 1363 121 LYS HA H 4.08 . 1 1364 121 LYS CB C 32.77 . 1 1365 121 LYS HB2 H 2.03 . 2 1366 121 LYS HB3 H 1.44 . 2 1367 121 LYS CG C 24.77 . 1 1368 121 LYS HG2 H 1.30 . 1 1369 121 LYS HG3 H 1.30 . 1 1370 121 LYS CD C 28.97 . 1 1371 121 LYS HD2 H 1.70 . 2 1372 121 LYS HD3 H 1.80 . 2 1373 121 LYS CE C 41.87 . 1 1374 121 LYS HE2 H 2.90 . 2 1375 121 LYS HE3 H 2.97 . 2 1376 121 LYS C C 176.11 . 1 1377 122 LYS N N 116.19 . 1 1378 122 LYS H H 8.16 . 1 1379 122 LYS CA C 56.67 . 1 1380 122 LYS HA H 4.04 . 1 1382 122 LYS HB2 H 2.21 . 2 1383 122 LYS HB3 H 1.88 . 2 1384 122 LYS CG C 24.77 . 1 1385 122 LYS HG2 H 1.40 . 1 1386 122 LYS HG3 H 1.40 . 1 1387 122 LYS CD C 28.97 . 1 1388 122 LYS HD2 H 1.70 . 1 1389 122 LYS HD3 H 1.70 . 1 1390 122 LYS CE C 42.07 . 1 1391 122 LYS HE2 H 2.93 . 2 1392 122 LYS HE3 H 3.07 . 2 1393 122 LYS C C 176.11 . 1 1394 123 GLY N N 106.99 . 1 1395 123 GLY H H 7.30 . 1 1396 123 GLY CA C 44.87 . 1 1397 123 GLY HA2 H 4.10 . 2 1398 123 GLY HA3 H 5.19 . 2 1399 123 GLY C C 171.31 . 1 1400 124 HIS N N 112.49 . 1 1401 124 HIS H H 8.78 . 1 1402 124 HIS CA C 53.77 . 1 1403 124 HIS HA H 5.75 . 1 1404 124 HIS CB C 33.67 . 1 1405 124 HIS HB2 H 3.38 . 2 1406 124 HIS HB3 H 2.98 . 2 1407 124 HIS CD2 C 121.07 . 1 1408 124 HIS CE1 C 137.77 . 1 1409 124 HIS HD2 H 7.12 . 1 1410 124 HIS HE1 H 8.07 . 1 1411 124 HIS C C 170.51 . 1 1412 125 TRP N N 119.69 . 1 1413 125 TRP H H 9.15 . 1 1414 125 TRP CA C 54.87 . 1 1415 125 TRP HA H 5.34 . 1 1416 125 TRP CB C 31.37 . 1 1417 125 TRP HB2 H 3.12 . 1 1418 125 TRP HB3 H 3.12 . 1 1419 125 TRP CD1 C 126.77 . 1 1420 125 TRP CE3 C 120.57 . 1 1421 125 TRP NE1 N 130.80 . 1 1422 125 TRP HD1 H 7.09 . 1 1423 125 TRP HE3 H 7.20 . 1 1424 125 TRP CZ3 C 122.17 . 1 1425 125 TRP CZ2 C 114.87 . 1 1426 125 TRP HE1 H 11.13 . 1 1427 125 TRP HZ3 H 7.01 . 1 1428 125 TRP CH2 C 124.47 . 1 1429 125 TRP HZ2 H 7.30 . 1 1430 125 TRP HH2 H 7.13 . 1 1431 125 TRP C C 176.71 . 1 1432 126 ASP N N 124.79 . 1 1433 126 ASP H H 9.72 . 1 1434 126 ASP CA C 52.47 . 1 1435 126 ASP HA H 5.65 . 1 1436 126 ASP CB C 44.87 . 1 1437 126 ASP HB2 H 3.22 . 2 1438 126 ASP HB3 H 2.84 . 2 1441 127 HIS H H 8.69 . 1 1443 127 HIS HA H 5.13 . 1 1445 127 HIS HB2 H 3.22 . 2 1446 127 HIS HB3 H 2.86 . 2 1447 127 HIS CD2 C 120.27 . 1 1448 127 HIS CE1 C 136.27 . 1 1449 127 HIS HD2 H 6.63 . 1 1450 127 HIS HE1 H 8.18 . 1 1451 129 TRP CD1 C 126.77 . 1 1452 129 TRP CE3 C 119.57 . 1 1453 129 TRP NE1 N 127.50 . 1 1454 129 TRP HD1 H 6.79 . 1 1455 129 TRP HE3 H 6.83 . 1 1456 129 TRP CZ3 C 121.07 . 1 1457 129 TRP CZ2 C 113.27 . 1 1458 129 TRP HE1 H 9.67 . 1 1459 129 TRP HZ3 H 6.62 . 1 1460 129 TRP CH2 C 123.97 . 1 1461 129 TRP HZ2 H 7.08 . 1 1462 129 TRP HH2 H 6.63 . 1 1463 130 VAL CA C 61.37 . 1 1464 130 VAL HA H 4.92 . 1 1465 130 VAL CB C 32.97 . 1 1466 130 VAL HB H 2.19 . 1 1467 130 VAL HG1 H 0.80 . 2 1468 130 VAL HG2 H 1.00 . 2 1469 130 VAL CG1 C 19.97 . 1 1470 130 VAL CG2 C 20.87 . 1 1471 130 VAL C C 172.31 . 1 1472 131 LEU N N 125.89 . 1 1473 131 LEU H H 9.60 . 1 1474 131 LEU CA C 52.67 . 1 1475 131 LEU HA H 5.98 . 1 1476 131 LEU CB C 45.17 . 1 1477 131 LEU HB2 H 1.30 . 2 1478 131 LEU HB3 H 1.85 . 2 1479 131 LEU CG C 27.07 . 1 1480 131 LEU HG H 1.82 . 1 1481 131 LEU HD1 H 0.74 . 2 1482 131 LEU HD2 H 0.98 . 2 1483 131 LEU CD1 C 25.87 . 1 1484 131 LEU CD2 C 22.07 . 1 1485 131 LEU C C 177.21 . 1 1486 132 SER N N 114.29 . 1 1487 132 SER H H 9.88 . 1 1488 132 SER CA C 55.37 . 1 1489 132 SER HA H 6.25 . 1 1490 132 SER CB C 66.67 . 1 1491 132 SER HB2 H 4.26 . 2 1492 132 SER HB3 H 3.87 . 2 1493 132 SER C C 175.71 . 1 1494 133 ARG N N 127.79 . 1 1495 133 ARG H H 8.56 . 1 1496 133 ARG CA C 57.77 . 1 1497 133 ARG HA H 3.98 . 1 1498 133 ARG CB C 30.87 . 1 1499 133 ARG HB2 H 1.85 . 2 1500 133 ARG HB3 H 1.93 . 2 1501 133 ARG CG C 27.37 . 1 1502 133 ARG HG2 H 1.50 . 2 1503 133 ARG HG3 H 1.60 . 2 1504 133 ARG CD C 43.47 . 1 1505 133 ARG HD2 H 3.00 . 2 1506 133 ARG HD3 H 3.10 . 2 1507 133 ARG C C 176.31 . 1 1508 134 SER N N 111.99 . 1 1509 134 SER H H 8.08 . 1 1510 134 SER CA C 56.07 . 1 1511 134 SER HA H 4.75 . 1 1512 134 SER CB C 64.97 . 1 1513 134 SER HB2 H 3.78 . 2 1514 134 SER HB3 H 3.87 . 2 1515 134 SER C C 174.21 . 1 1516 135 MET N N 122.39 . 1 1517 135 MET H H 8.15 . 1 1518 135 MET CA C 58.67 . 1 1519 135 MET HA H 5.10 . 1 1520 135 MET CB C 33.67 . 1 1521 135 MET HB2 H 2.00 . 2 1522 135 MET HB3 H 2.10 . 2 1523 135 MET CG C 34.07 . 1 1524 135 MET HG2 H 2.30 . 2 1525 135 MET HG3 H 2.40 . 2 1526 135 MET C C 173.51 . 1 1527 136 VAL N N 111.59 . 1 1528 136 VAL H H 7.02 . 1 1529 136 VAL CA C 59.77 . 1 1530 136 VAL HA H 4.18 . 1 1531 136 VAL CB C 34.27 . 1 1532 136 VAL HB H 1.79 . 1 1533 136 VAL HG1 H 0.88 . 2 1534 136 VAL HG2 H 0.83 . 2 1535 136 VAL CG1 C 20.67 . 1 1536 136 VAL CG2 C 20.67 . 1 1537 136 VAL C C 176.31 . 1 1538 137 LEU N N 128.79 . 1 1539 137 LEU H H 9.14 . 1 1540 137 LEU CA C 55.07 . 1 1541 137 LEU HA H 4.40 . 1 1542 137 LEU CB C 42.97 . 1 1543 137 LEU HB2 H 1.24 . 2 1544 137 LEU HB3 H 1.73 . 2 1545 137 LEU CG C 26.97 . 1 1546 137 LEU HG H 1.74 . 1 1547 137 LEU HD1 H 1.01 . 2 1548 137 LEU HD2 H 0.98 . 2 1549 137 LEU CD1 C 25.77 . 1 1550 137 LEU CD2 C 24.17 . 1 1551 137 LEU C C 176.01 . 1 1552 138 THR N N 115.69 . 1 1553 138 THR H H 8.56 . 1 1554 138 THR CA C 60.37 . 1 1555 138 THR HA H 4.55 . 1 1557 138 THR HB H 4.21 . 1 1558 138 THR HG2 H 1.15 . 1 1559 138 THR CG2 C 20.87 . 1 1560 138 THR C C 174.91 . 1 1561 139 GLY N N 109.39 . 1 1562 139 GLY H H 8.68 . 1 1563 139 GLY CA C 46.57 . 1 1564 139 GLY HA2 H 3.83 . 2 1565 139 GLY HA3 H 4.01 . 2 1566 139 GLY C C 175.51 . 1 1567 140 GLU N N 124.29 . 1 1568 140 GLU H H 8.97 . 1 1569 140 GLU CA C 59.17 . 1 1570 140 GLU HA H 4.10 . 1 1571 140 GLU CB C 29.17 . 1 1572 140 GLU HB2 H 2.11 . 1 1573 140 GLU HB3 H 2.11 . 1 1574 140 GLU CG C 36.47 . 1 1575 140 GLU HG2 H 2.40 . 1 1576 140 GLU HG3 H 2.40 . 1 1577 140 GLU C C 178.71 . 1 1578 141 ALA N N 122.99 . 1 1579 141 ALA H H 8.28 . 1 1580 141 ALA CA C 55.17 . 1 1581 141 ALA HA H 4.26 . 1 1582 141 ALA HB H 1.63 . 1 1583 141 ALA CB C 19.17 . 1 1584 141 ALA C C 177.91 . 1 1585 142 LYS N N 117.39 . 1 1586 142 LYS H H 7.16 . 1 1587 142 LYS CA C 59.67 . 1 1588 142 LYS HA H 3.61 . 1 1589 142 LYS CB C 31.97 . 1 1590 142 LYS HB2 H 1.91 . 2 1591 142 LYS HB3 H 1.23 . 2 1592 142 LYS CG C 24.67 . 1 1593 142 LYS HG2 H 1.21 . 2 1594 142 LYS HG3 H 1.53 . 2 1595 142 LYS CD C 28.97 . 1 1596 142 LYS HD2 H 1.71 . 1 1597 142 LYS HD3 H 1.71 . 1 1598 142 LYS CE C 41.87 . 1 1599 142 LYS HE2 H 2.93 . 1 1600 142 LYS HE3 H 2.93 . 1 1601 142 LYS C C 177.61 . 1 1602 143 THR N N 114.29 . 1 1603 143 THR H H 7.76 . 1 1604 143 THR CA C 65.97 . 1 1605 143 THR HA H 3.84 . 1 1606 143 THR CB C 68.87 . 1 1607 143 THR HB H 4.07 . 1 1608 143 THR HG2 H 1.22 . 1 1609 143 THR CG2 C 22.07 . 1 1610 143 THR C C 175.51 . 1 1611 144 ALA N N 123.89 . 1 1612 144 ALA H H 8.06 . 1 1613 144 ALA CA C 55.27 . 1 1614 144 ALA HA H 4.10 . 1 1615 144 ALA HB H 1.56 . 1 1616 144 ALA CB C 18.07 . 1 1617 144 ALA C C 181.01 . 1 1618 145 VAL N N 119.79 . 1 1619 145 VAL H H 8.02 . 1 1620 145 VAL CA C 66.77 . 1 1621 145 VAL HA H 3.24 . 1 1622 145 VAL CB C 31.67 . 1 1623 145 VAL HB H 1.99 . 1 1624 145 VAL HG1 H 0.81 . 2 1625 145 VAL HG2 H 0.27 . 2 1626 145 VAL CG1 C 21.07 . 1 1627 145 VAL CG2 C 23.17 . 1 1628 145 VAL C C 177.41 . 1 1629 146 GLU N N 118.39 . 1 1630 146 GLU H H 8.38 . 1 1631 146 GLU CA C 60.07 . 1 1632 146 GLU HA H 3.85 . 1 1633 146 GLU CB C 28.97 . 1 1634 146 GLU HB2 H 1.95 . 2 1635 146 GLU HB3 H 2.08 . 2 1636 146 GLU CG C 36.57 . 1 1637 146 GLU HG2 H 2.18 . 2 1638 146 GLU HG3 H 2.44 . 2 1639 146 GLU C C 178.91 . 1 1640 147 ASN N N 116.19 . 1 1641 147 ASN H H 8.55 . 1 1642 147 ASN CA C 55.47 . 1 1643 147 ASN HA H 4.42 . 1 1644 147 ASN CB C 37.87 . 1 1645 147 ASN HB2 H 2.92 . 2 1646 147 ASN HB3 H 2.72 . 2 1647 147 ASN ND2 N 111.50 . 1 1648 147 ASN HD21 H 7.54 . 2 1649 147 ASN HD22 H 6.90 . 2 1650 147 ASN C C 178.01 . 1 1651 148 TYR N N 120.69 . 1 1652 148 TYR H H 8.03 . 1 1653 148 TYR CA C 62.07 . 1 1654 148 TYR HA H 3.99 . 1 1655 148 TYR CB C 37.77 . 1 1656 148 TYR HB2 H 2.95 . 2 1657 148 TYR HB3 H 3.25 . 2 1658 148 TYR HD1 H 7.01 . 1 1659 148 TYR HD2 H 7.01 . 1 1660 148 TYR HE1 H 6.65 . 1 1661 148 TYR HE2 H 6.65 . 1 1662 148 TYR CD1 C 133.27 . 1 1663 148 TYR CE1 C 118.17 . 1 1664 148 TYR CE2 C 118.20 . 1 1665 148 TYR CD2 C 133.27 . 1 1666 148 TYR C C 177.91 . 1 1667 149 LEU N N 117.49 . 1 1668 149 LEU H H 8.41 . 1 1669 149 LEU CA C 57.87 . 1 1670 149 LEU HA H 3.66 . 1 1671 149 LEU CB C 41.77 . 1 1672 149 LEU HB2 H 2.03 . 2 1673 149 LEU HB3 H 1.32 . 2 1674 149 LEU CG C 26.17 . 1 1675 149 LEU HG H 2.17 . 1 1676 149 LEU HD1 H 0.82 . 2 1677 149 LEU HD2 H 0.85 . 2 1678 149 LEU CD1 C 26.47 . 1 1679 149 LEU CD2 C 22.97 . 1 1680 149 LEU C C 179.31 . 1 1681 150 ILE N N 116.69 . 1 1682 150 ILE H H 7.89 . 1 1683 150 ILE CA C 63.77 . 1 1684 150 ILE HA H 3.88 . 1 1686 150 ILE HB H 1.85 . 1 1687 150 ILE HG2 H 0.90 . 1 1688 150 ILE CG2 C 17.07 . 1 1689 150 ILE CG1 C 28.67 . 1 1690 150 ILE HG12 H 1.60 . 2 1691 150 ILE HG13 H 1.25 . 2 1692 150 ILE HD1 H 0.85 . 1 1693 150 ILE CD1 C 13.37 . 1 1694 150 ILE C C 177.31 . 1 1695 151 GLY N N 105.69 . 1 1696 151 GLY H H 7.07 . 1 1697 151 GLY CA C 44.47 . 1 1698 151 GLY HA2 H 3.63 . 2 1699 151 GLY HA3 H 4.20 . 2 1702 152 SER H H 7.00 . 1 1703 152 SER CA C 55.67 . 1 1704 152 SER HA H 4.39 . 1 1705 152 SER CB C 64.67 . 1 1706 152 SER HB2 H 3.48 . 2 1707 152 SER HB3 H 3.74 . 2 1708 153 PRO CD C 50.87 . 1 1709 153 PRO CA C 63.07 . 1 1710 153 PRO HA H 4.64 . 1 1711 153 PRO CB C 31.97 . 1 1712 153 PRO HB2 H 1.98 . 2 1713 153 PRO HB3 H 2.26 . 2 1714 153 PRO CG C 26.77 . 1 1715 153 PRO HG2 H 1.88 . 2 1716 153 PRO HG3 H 2.08 . 2 1717 153 PRO HD2 H 3.76 . 2 1718 153 PRO HD3 H 4.03 . 2 1719 153 PRO C C 176.41 . 1 1720 154 VAL N N 113.89 . 1 1721 154 VAL H H 7.31 . 1 1722 154 VAL CA C 62.27 . 1 1723 154 VAL HA H 4.05 . 1 1724 154 VAL CB C 33.57 . 1 1725 154 VAL HB H 1.60 . 1 1726 154 VAL HG1 H 0.46 . 2 1727 154 VAL HG2 H 0.35 . 2 1728 154 VAL CG1 C 20.57 . 1 1729 154 VAL CG2 C 20.87 . 1 1730 154 VAL C C 174.61 . 1 1731 155 VAL N N 119.29 . 1 1732 155 VAL H H 7.25 . 1 1733 155 VAL CA C 62.27 . 1 1734 155 VAL HA H 3.81 . 1 1735 155 VAL CB C 33.17 . 1 1736 155 VAL HB H 1.99 . 1 1737 155 VAL CG1 C 21.77 . 1 1738 155 VAL HG1 H 0.84 . 1 1739 155 VAL HG2 H 0.84 . 1 1740 155 VAL C C 174.11 . 1 1741 156 ASP N N 126.59 . 1 1742 156 ASP H H 8.50 . 1 1743 156 ASP CA C 51.87 . 1 1744 156 ASP HA H 4.89 . 1 1745 156 ASP CB C 40.37 . 1 1746 156 ASP HB2 H 2.54 . 2 1747 156 ASP HB3 H 2.90 . 2 1748 156 ASP C C 177.11 . 1 1749 157 SER N N 120.89 . 1 1750 157 SER H H 8.89 . 1 1751 157 SER CA C 61.87 . 1 1752 157 SER HA H 4.95 . 1 1753 157 SER CB C 62.17 . 1 1754 157 SER HB2 H 4.04 . 2 1755 157 SER HB3 H 3.88 . 2 1756 157 SER C C 176.41 . 1 1757 158 GLN N N 119.39 . 1 1758 158 GLN H H 8.43 . 1 1759 158 GLN CA C 57.47 . 1 1760 158 GLN HA H 4.26 . 1 1761 158 GLN CB C 28.07 . 1 1762 158 GLN HB2 H 2.19 . 1 1763 158 GLN HB3 H 2.19 . 1 1764 158 GLN CG C 34.17 . 1 1765 158 GLN HG2 H 2.49 . 2 1766 158 GLN HG3 H 2.40 . 2 1767 158 GLN NE2 N 112.40 . 1 1768 158 GLN HE21 H 7.68 . 2 1769 158 GLN HE22 H 6.86 . 2 1770 158 GLN C C 176.91 . 1 1771 159 LYS N N 116.29 . 1 1772 159 LYS H H 7.60 . 1 1773 159 LYS CA C 55.17 . 1 1774 159 LYS HA H 4.26 . 1 1775 159 LYS CB C 33.57 . 1 1776 159 LYS HB2 H 1.66 . 2 1777 159 LYS HB3 H 1.50 . 2 1778 159 LYS CG C 25.37 . 1 1779 159 LYS HG2 H 1.16 . 2 1780 159 LYS HG3 H 1.29 . 2 1781 159 LYS CD C 28.67 . 1 1782 159 LYS HD2 H 1.47 . 1 1783 159 LYS HD3 H 1.47 . 1 1784 159 LYS CE C 41.87 . 1 1785 159 LYS HE2 H 2.85 . 1 1786 159 LYS HE3 H 2.85 . 1 1787 159 LYS C C 176.51 . 1 1788 160 LEU N N 116.69 . 1 1789 160 LEU H H 6.92 . 1 1790 160 LEU CA C 56.17 . 1 1791 160 LEU HA H 4.07 . 1 1792 160 LEU CB C 42.97 . 1 1793 160 LEU HB2 H 0.78 . 2 1794 160 LEU HB3 H 1.87 . 2 1795 160 LEU CG C 26.87 . 1 1796 160 LEU HG H 1.66 . 1 1797 160 LEU HD1 H 0.45 . 2 1798 160 LEU HD2 H 0.82 . 2 1799 160 LEU CD1 C 23.17 . 1 1800 160 LEU CD2 C 26.67 . 1 1801 160 LEU C C 176.01 . 1 1802 161 VAL N N 120.69 . 1 1803 161 VAL H H 9.01 . 1 1804 161 VAL CA C 60.67 . 1 1805 161 VAL HA H 4.43 . 1 1806 161 VAL CB C 33.57 . 1 1807 161 VAL HB H 2.03 . 1 1808 161 VAL HG1 H 0.99 . 2 1809 161 VAL HG2 H 0.88 . 2 1810 161 VAL CG1 C 21.27 . 1 1811 161 VAL CG2 C 20.27 . 1 1812 161 VAL C C 176.51 . 1 1813 162 TYR N N 128.39 . 1 1814 162 TYR H H 9.22 . 1 1815 162 TYR CA C 58.07 . 1 1816 162 TYR HA H 5.15 . 1 1817 162 TYR CB C 39.27 . 1 1818 162 TYR HB2 H 2.93 . 2 1819 162 TYR HB3 H 3.08 . 2 1820 162 TYR HD1 H 7.25 . 1 1821 162 TYR HD2 H 7.25 . 1 1822 162 TYR HE1 H 6.65 . 1 1823 162 TYR HE2 H 6.65 . 1 1824 162 TYR CD1 C 133.47 . 1 1825 162 TYR CE1 C 117.67 . 1 1826 162 TYR CE2 C 117.70 . 1 1827 162 TYR CD2 C 133.47 . 1 1828 162 TYR C C 176.61 . 1 1829 163 SER N N 119.59 . 1 1830 163 SER H H 8.66 . 1 1831 163 SER CA C 58.17 . 1 1832 163 SER HA H 4.49 . 1 1833 163 SER CB C 64.67 . 1 1834 163 SER HB2 H 3.06 . 2 1835 163 SER HB3 H 3.68 . 2 1836 163 SER C C 172.61 . 1 1837 164 ASP N N 120.59 . 1 1838 164 ASP H H 8.21 . 1 1839 164 ASP CA C 52.87 . 1 1840 164 ASP HA H 4.83 . 1 1841 164 ASP CB C 41.37 . 1 1842 164 ASP HB2 H 2.93 . 2 1843 164 ASP HB3 H 3.18 . 2 1844 164 ASP C C 176.31 . 1 1845 165 PHE N N 116.09 . 1 1846 165 PHE H H 8.24 . 1 1847 165 PHE CA C 60.27 . 1 1848 165 PHE HA H 4.22 . 1 1849 165 PHE CB C 36.37 . 1 1850 165 PHE HB2 H 3.11 . 2 1851 165 PHE HB3 H 3.30 . 2 1852 165 PHE HD1 H 7.27 . 1 1853 165 PHE HD2 H 7.27 . 1 1854 165 PHE HE1 H 7.92 . 1 1855 165 PHE HE2 H 7.92 . 1 1856 165 PHE CD1 C 132.17 . 1 1857 165 PHE CE1 C 132.57 . 1 1858 165 PHE CZ C 132.57 . 1 1859 165 PHE HZ H 7.83 . 1 1860 165 PHE CE2 C 132.17 . 1 1861 165 PHE CD2 C 132.17 . 1 1862 165 PHE C C 174.81 . 1 1863 166 SER N N 113.59 . 1 1864 166 SER H H 7.73 . 1 1865 166 SER CA C 58.07 . 1 1866 166 SER HA H 4.29 . 1 1867 166 SER CB C 64.87 . 1 1868 166 SER HB2 H 4.00 . 1 1869 166 SER HB3 H 4.00 . 1 1870 166 SER C C 174.21 . 1 1871 167 GLU N N 120.69 . 1 1872 167 GLU H H 8.72 . 1 1873 167 GLU CA C 59.37 . 1 1874 167 GLU HA H 3.92 . 1 1875 167 GLU CB C 29.47 . 1 1876 167 GLU HB2 H 2.01 . 2 1877 167 GLU HB3 H 2.07 . 2 1878 167 GLU CG C 34.07 . 1 1879 167 GLU HG2 H 2.22 . 2 1880 167 GLU HG3 H 2.33 . 2 1881 167 GLU C C 178.91 . 1 1882 168 ALA N N 118.89 . 1 1883 168 ALA H H 8.29 . 1 1884 168 ALA CA C 54.77 . 1 1885 168 ALA HA H 4.06 . 1 1886 168 ALA HB H 1.41 . 1 1887 168 ALA CB C 18.37 . 1 1888 168 ALA C C 179.81 . 1 1889 169 ALA N N 119.89 . 1 1890 169 ALA H H 7.85 . 1 1891 169 ALA CA C 54.37 . 1 1892 169 ALA HA H 4.14 . 1 1893 169 ALA HB H 1.53 . 1 1894 169 ALA CB C 19.77 . 1 1895 169 ALA C C 179.51 . 1 1896 170 CYS N N 112.39 . 1 1897 170 CYS H H 7.95 . 1 1898 170 CYS CA C 54.17 . 1 1899 170 CYS HA H 4.77 . 1 1900 170 CYS CB C 43.37 . 1 1901 170 CYS HB2 H 3.38 . 2 1902 170 CYS HB3 H 2.87 . 2 1903 170 CYS C C 173.81 . 1 1904 171 LYS N N 121.99 . 1 1905 171 LYS H H 7.45 . 1 1906 171 LYS CA C 57.57 . 1 1907 171 LYS HA H 4.08 . 1 1908 171 LYS CB C 32.37 . 1 1909 171 LYS HB2 H 1.97 . 2 1910 171 LYS HB3 H 1.75 . 2 1911 171 LYS CG C 24.77 . 1 1912 171 LYS HG2 H 1.30 . 1 1913 171 LYS HG3 H 1.30 . 1 1914 171 LYS CD C 29.27 . 1 1915 171 LYS HD2 H 1.64 . 1 1916 171 LYS HD3 H 1.64 . 1 1917 171 LYS CE C 41.87 . 1 1918 171 LYS HE2 H 2.93 . 2 1919 171 LYS HE3 H 2.95 . 2 1920 171 LYS C C 175.51 . 1 1921 172 VAL N N 125.69 . 1 1922 172 VAL H H 8.31 . 1 1923 172 VAL CA C 61.07 . 1 1924 172 VAL HA H 4.08 . 1 1925 172 VAL CB C 33.27 . 1 1926 172 VAL HB H 1.97 . 1 1927 172 VAL HG1 H 0.97 . 1 1928 172 VAL HG2 H 0.97 . 1 1929 172 VAL CG1 C 21.87 . 1 1930 172 VAL CG2 C 21.77 . 1 1931 172 VAL C C 176.31 . 1 1932 173 ASN N N 125.19 . 1 1933 173 ASN H H 9.12 . 1 1934 173 ASN CA C 53.27 . 1 1935 173 ASN HA H 4.70 . 1 1936 173 ASN CB C 38.77 . 1 1937 173 ASN HB2 H 2.76 . 2 1938 173 ASN HB3 H 2.84 . 2 1939 173 ASN ND2 N 111.90 . 1 1940 173 ASN HD21 H 7.59 . 2 1941 173 ASN HD22 H 6.90 . 2 1942 173 ASN C C 175.11 . 1 1943 174 ASN N N 119.89 . 1 1944 174 ASN H H 8.52 . 1 1945 174 ASN CA C 53.17 . 1 1946 174 ASN HA H 4.71 . 1 1947 174 ASN CB C 38.87 . 1 1948 174 ASN HB2 H 2.78 . 1 1949 174 ASN HB3 H 2.78 . 1 1950 174 ASN ND2 N 112.50 . 1 1951 174 ASN HD21 H 7.57 . 2 1952 174 ASN HD22 H 6.92 . 2 1953 174 ASN C C 175.01 . 1 1954 175 SER N N 115.99 . 1 1955 175 SER H H 8.32 . 1 1956 175 SER CA C 58.77 . 1 1957 175 SER HA H 4.38 . 1 1958 175 SER CB C 63.57 . 1 1959 175 SER HB2 H 3.80 . 1 1960 175 SER HB3 H 3.80 . 1 1961 175 SER C C 174.31 . 1 1962 176 ASN N N 120.29 . 1 1963 176 ASN H H 8.46 . 1 1964 176 ASN CA C 53.47 . 1 1965 176 ASN HA H 4.67 . 1 1966 176 ASN CB C 38.57 . 1 1967 176 ASN HB2 H 2.74 . 2 1968 176 ASN HB3 H 2.65 . 2 1969 176 ASN ND2 N 112.40 . 1 1970 176 ASN HD21 H 7.47 . 2 1971 176 ASN HD22 H 6.88 . 2 1972 176 ASN C C 174.81 . 1 1973 177 TRP N N 120.99 . 1 1974 177 TRP H H 8.01 . 1 1975 177 TRP CA C 57.47 . 1 1976 177 TRP HA H 4.61 . 1 1977 177 TRP CB C 29.67 . 1 1978 177 TRP HB2 H 3.21 . 2 1979 177 TRP HB3 H 3.26 . 2 1980 177 TRP CD1 C 126.57 . 1 1981 177 TRP CE3 C 120.97 . 1 1982 177 TRP NE1 N 129.10 . 1 1983 177 TRP HD1 H 7.24 . 1 1984 177 TRP HE3 H 7.54 . 1 1985 177 TRP CZ3 C 122.07 . 1 1986 177 TRP CZ2 C 114.57 . 1 1987 177 TRP HE1 H 10.11 . 1 1988 177 TRP HZ3 H 7.06 . 1 1989 177 TRP CH2 C 124.57 . 1 1990 177 TRP HZ2 H 7.45 . 1 1991 177 TRP HH2 H 7.17 . 1 1992 177 TRP C C 175.81 . 1 1993 178 SER N N 117.09 . 1 1994 178 SER H H 7.99 . 1 1995 178 SER CA C 57.87 . 1 1996 178 SER HA H 4.29 . 1 1997 178 SER CB C 63.57 . 1 1998 178 SER HB2 H 3.65 . 1 1999 178 SER HB3 H 3.65 . 1 2002 179 HIS H H 8.07 . 1 2003 179 HIS CA C 54.07 . 1 2004 179 HIS HA H 4.64 . 1 2005 179 HIS CB C 29.67 . 1 2006 179 HIS HB2 H 3.02 . 2 2007 179 HIS HB3 H 2.95 . 2 2008 179 HIS CD2 C 120.37 . 1 2009 179 HIS CE1 C 137.37 . 1 2010 179 HIS HD2 H 7.08 . 1 2011 179 HIS HE1 H 8.11 . 1 2012 180 PRO CD C 50.47 . 1 2013 180 PRO CA C 63.37 . 1 2014 180 PRO HA H 4.30 . 1 2015 180 PRO CB C 31.87 . 1 2016 180 PRO HB2 H 1.72 . 2 2017 180 PRO HB3 H 2.16 . 2 2018 180 PRO CG C 27.37 . 1 2019 180 PRO HG2 H 1.89 . 1 2020 180 PRO HG3 H 1.89 . 1 2021 180 PRO HD2 H 3.33 . 2 2022 180 PRO HD3 H 3.64 . 2 2023 180 PRO C C 176.71 . 1 2024 181 GLN N N 120.69 . 1 2025 181 GLN H H 8.61 . 1 2026 181 GLN CA C 55.97 . 1 2027 181 GLN HA H 4.21 . 1 2028 181 GLN CB C 29.27 . 1 2029 181 GLN HB2 H 1.91 . 2 2030 181 GLN HB3 H 1.84 . 2 2031 181 GLN CG C 33.37 . 1 2032 181 GLN HG2 H 2.16 . 1 2033 181 GLN HG3 H 2.16 . 1 2034 181 GLN NE2 N 112.40 . 1 2035 181 GLN HE21 H 7.41 . 2 2036 181 GLN HE22 H 6.80 . 2 2037 181 GLN C C 175.51 . 1 2038 182 PHE N N 120.29 . 1 2039 182 PHE H H 8.12 . 1 2040 182 PHE CA C 57.37 . 1 2041 182 PHE HA H 4.63 . 1 2042 182 PHE CB C 39.57 . 1 2043 182 PHE HB2 H 2.98 . 2 2044 182 PHE HB3 H 3.15 . 2 2045 182 PHE HD1 H 7.20 . 1 2046 182 PHE HD2 H 7.20 . 1 2047 182 PHE HE1 H 7.26 . 1 2048 182 PHE HE2 H 7.26 . 1 2049 182 PHE CD1 C 131.97 . 1 2050 182 PHE CE1 C 131.37 . 1 2051 182 PHE CZ C 129.87 . 1 2052 182 PHE HZ H 7.22 . 1 2053 182 PHE CE2 C 131.97 . 1 2054 182 PHE CD2 C 131.97 . 1 2055 182 PHE C C 175.31 . 1 2056 183 GLU N N 122.59 . 1 2057 183 GLU H H 8.26 . 1 2058 183 GLU CA C 56.37 . 1 2059 183 GLU HA H 4.22 . 1 2060 183 GLU CB C 30.57 . 1 2061 183 GLU HB2 H 2.00 . 2 2062 183 GLU HB3 H 1.85 . 2 2063 183 GLU CG C 33.47 . 1 2064 183 GLU HG2 H 2.17 . 1 2065 183 GLU HG3 H 2.17 . 1 2068 184 LYS H H 7.88 . 1 2070 184 LYS HA H 4.08 . 1 2072 184 LYS HB2 H 1.69 . 2 2073 184 LYS HB3 H 1.78 . 2 2074 184 LYS CG C 24.67 . 1 2075 184 LYS HG2 H 1.37 . 1 2076 184 LYS HG3 H 1.37 . 1 2077 184 LYS CD C 29.07 . 1 2078 184 LYS HD2 H 1.64 . 1 2079 184 LYS HD3 H 1.64 . 1 2080 184 LYS CE C 41.87 . 1 2081 184 LYS HE2 H 2.89 . 2 2082 184 LYS HE3 H 2.96 . 2 stop_ save_