data_5267 #Corrected using PDB structure: 2B59A # #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 # 47 N HA 4.84 3.14 #117 Y HA 3.97 3.04 #118 K HA 3.96 2.00 #145 K HA 4.94 4.18 #178 D HA 4.50 3.73 # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted #104 I CB 29.32 41.30 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.04 -0.40 -0.36 0.41 0.83 0.01 # #bmr5267.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr5267.str file): #HA CA CB CO N HN #N/A -0.38 -0.38 +0.41 +0.83 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.03 +/-0.11 +/-0.13 +/-0.15 +/-0.28 +/-0.05 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.822 0.975 0.992 0.717 0.916 0.768 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.155 0.701 0.796 0.919 1.770 0.293 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N NMR sequencespecific resonance assignment of a Clostridium thermocellum type II cohesin module ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Smith Steven P . 2 Beguin Pierre . . 3 Alzari Pedro M . 4 Gehring Kalle . . stop_ _BMRB_accession_number 5267 _BMRB_flat_file_name bmr5267.str _Entry_type new _Submission_date 2002-01-28 _Accession_date 2002-01-28 _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' 766 '15N chemical shifts' 162 '13C chemical shifts' 650 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Letter to the Editor: 1H, 13C, 15N NMR sequence-specific resonance assignment of a Clostridium thermocellum type II cohesin module ; _Citation_status published _Citation_type journal _MEDLINE_UI_code 22056594 _PubMed_ID 12061722 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Smith Steven P . 2 Beguin Pierre . . 3 Alzari Pedro M . 4 Gehring Kalle . . stop_ _Journal_abbreviation "J. Biomol. NMR" _Journal_volume 23 _Journal_issue 1 _Page_first 73 _Page_last 74 _Year 2002 loop_ _Keyword "NMR resonance assignment" "type II cohesin" "Clostridium thermocellum" "cellulosome" stop_ save_ ################################## # Molecular system description # ################################## save_system_type_II_cohesin _Saveframe_category molecular_system _Mol_system_name "SdbA type II cohesin module" _Abbreviation_common "type II cohesin" _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "SdbA cohesin module" $SdbA stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' save_ ######################## # Monomeric polymers # ######################## save_SdbA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "SdbA type II cohesin" _Name_variant . _Abbreviation_common SdbA _Mol_thiol_state 'not present' ############################## # Polymer residue sequence # ############################## _Residue_count 187 _Mol_residue_sequence ; MRGSHHHHHHTDLRADKASS IELKFDRNKGEVGDILIGTV RINNIKNFAGFQVNIVYDPK VLMAVDPETGKEFTSSTFPP GRTVLKNNAYGPIQIADNDP EKGILNFALAYSYIAGYKET GVAEESGIIAKIGFKILQKK STAVKFQDTLSMPGAISGTQ LFDWDGEVITGYEVIQPDVL SLGDEPF ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 GLY 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 THR 12 ASP 13 LEU 14 ARG 15 ALA 16 ASP 17 LYS 18 ALA 19 SER 20 SER 21 ILE 22 GLU 23 LEU 24 LYS 25 PHE 26 ASP 27 ARG 28 ASN 29 LYS 30 GLY 31 GLU 32 VAL 33 GLY 34 ASP 35 ILE 36 LEU 37 ILE 38 GLY 39 THR 40 VAL 41 ARG 42 ILE 43 ASN 44 ASN 45 ILE 46 LYS 47 ASN 48 PHE 49 ALA 50 GLY 51 PHE 52 GLN 53 VAL 54 ASN 55 ILE 56 VAL 57 TYR 58 ASP 59 PRO 60 LYS 61 VAL 62 LEU 63 MET 64 ALA 65 VAL 66 ASP 67 PRO 68 GLU 69 THR 70 GLY 71 LYS 72 GLU 73 PHE 74 THR 75 SER 76 SER 77 THR 78 PHE 79 PRO 80 PRO 81 GLY 82 ARG 83 THR 84 VAL 85 LEU 86 LYS 87 ASN 88 ASN 89 ALA 90 TYR 91 GLY 92 PRO 93 ILE 94 GLN 95 ILE 96 ALA 97 ASP 98 ASN 99 ASP 100 PRO 101 GLU 102 LYS 103 GLY 104 ILE 105 LEU 106 ASN 107 PHE 108 ALA 109 LEU 110 ALA 111 TYR 112 SER 113 TYR 114 ILE 115 ALA 116 GLY 117 TYR 118 LYS 119 GLU 120 THR 121 GLY 122 VAL 123 ALA 124 GLU 125 GLU 126 SER 127 GLY 128 ILE 129 ILE 130 ALA 131 LYS 132 ILE 133 GLY 134 PHE 135 LYS 136 ILE 137 LEU 138 GLN 139 LYS 140 LYS 141 SER 142 THR 143 ALA 144 VAL 145 LYS 146 PHE 147 GLN 148 ASP 149 THR 150 LEU 151 SER 152 MET 153 PRO 154 GLY 155 ALA 156 ILE 157 SER 158 GLY 159 THR 160 GLN 161 LEU 162 PHE 163 ASP 164 TRP 165 ASP 166 GLY 167 GLU 168 VAL 169 ILE 170 THR 171 GLY 172 TYR 173 GLU 174 VAL 175 ILE 176 GLN 177 PRO 178 ASP 179 VAL 180 LEU 181 SER 182 LEU 183 GLY 184 ASP 185 GLU 186 PRO 187 PHE 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 GenBank AAB07763.1 SdbA 29.64 631 99 100 10e-95 PIR JC6031 "scaffoldin dockerin binding proteinprecursor - Clostridium thermocellum" 29.64 631 99 100 10e-95 REF ZP_00314254.1 "COG1196: Chromosome segregationATPases [Clostridium thermocellum ATCC 27405]" 29.64 631 99 100 10e-95 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SdbA "Clostridium thermocellum" 1515 Eubacteria . Clostridium thermocellum 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 $SdbA 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SdbA 1.2 mM "[U-95% 13C; U-90% 15N]" stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SdbA 1.2 mM "[U-90% 15N]" stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY loop_ _Task "peak assignment" stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 2D 1H15N HSQC 1H 13C HSQC 3D HNHA 3D HNCO 3D HNCACB 3D CBCA(CO)NH 15N NOESY HSQC CC(CO)NH TOCSY HCC(CO)NH TOCSY (H)CCH COSY HCCH TOCSY ; save_ ####################### # Sample conditions # ####################### save_Excond_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.9 0.2 n/a temperature 303 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 $sample_1 stop_ _Sample_conditions_label $Excond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "SdbA cohesin module" 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 17 LYS HA H 4.38 0.03 1 2 17 LYS HB2 H 1.84 0.03 1 3 17 LYS HB3 H 1.74 0.03 1 4 17 LYS HG2 H 1.44 0.03 1 5 17 LYS HD2 H 1.64 0.03 1 6 17 LYS HE2 H 2.99 0.03 1 7 17 LYS C C 175.82 0.20 1 8 17 LYS CA C 53.06 0.20 1 10 17 LYS CG C 24.81 0.20 1 11 17 LYS CD C 29.15 0.20 1 12 17 LYS CE C 40.63 0.20 1 13 18 ALA H H 8.28 0.03 1 14 18 ALA HA H 4.30 0.03 1 15 18 ALA HB H 1.41 0.03 1 16 18 ALA C C 174.57 0.20 1 17 18 ALA CA C 52.68 0.20 1 18 18 ALA CB C 19.42 0.20 1 19 18 ALA N N 124.28 0.20 1 20 19 SER H H 8.37 0.03 1 21 19 SER HA H 5.16 0.03 1 22 19 SER HB2 H 3.98 0.03 2 23 19 SER HB3 H 3.86 0.03 2 24 19 SER C C 174.63 0.20 1 25 19 SER CA C 58.17 0.20 1 26 19 SER CB C 64.75 0.20 1 27 19 SER N N 118.20 0.15 1 28 20 SER H H 9.03 0.03 1 29 20 SER HA H 5.70 0.03 1 30 20 SER HB2 H 4.04 0.03 2 31 20 SER HB3 H 3.78 0.03 2 32 20 SER C C 171.78 0.20 1 33 20 SER CA C 57.75 0.20 1 34 20 SER CB C 66.78 0.20 1 35 20 SER N N 117.50 0.15 1 36 21 ILE H H 8.71 0.03 1 37 21 ILE HA H 5.12 0.03 1 38 21 ILE HB H 1.19 0.03 1 39 21 ILE HG12 H 1.50 0.03 1 40 21 ILE HG2 H 0.75 0.03 1 41 21 ILE HD1 H 0.37 0.03 1 42 21 ILE C C 171.61 0.20 1 43 21 ILE CA C 59.44 0.20 1 44 21 ILE CB C 42.05 0.20 1 45 21 ILE CG1 C 28.05 0.20 1 46 21 ILE CG2 C 16.91 0.20 1 47 21 ILE CD1 C 14.30 0.20 1 48 21 ILE N N 117.97 0.15 1 49 22 GLU H H 8.87 0.03 1 50 22 GLU HA H 5.69 0.03 1 51 22 GLU HB2 H 2.27 0.03 2 52 22 GLU HB3 H 2.01 0.03 2 53 22 GLU HG2 H 1.87 0.03 1 54 22 GLU CA C 54.03 0.20 1 56 22 GLU CG C 35.72 0.20 1 57 22 GLU CD C 173.03 0.20 1 58 22 GLU N N 124.28 0.15 1 59 23 LEU H H 7.56 0.03 1 60 23 LEU HA H 5.26 0.03 1 61 23 LEU HB2 H 1.44 0.03 2 62 23 LEU HB3 H 1.19 0.03 2 63 23 LEU HG H 0.99 0.03 1 64 23 LEU HD1 H 0.24 0.03 1 65 23 LEU HD2 H 0.24 0.03 1 66 23 LEU C C 173.85 0.20 1 67 23 LEU CA C 54.02 0.20 1 68 23 LEU CB C 45.00 0.20 1 69 23 LEU CG C 27.89 0.20 1 70 23 LEU CD1 C 25.18 0.20 2 71 23 LEU CD2 C 22.83 0.20 2 72 23 LEU N N 124.98 0.15 1 73 24 LYS H H 8.26 0.03 1 74 24 LYS HA H 4.76 0.03 1 75 24 LYS HB2 H 1.80 0.03 2 76 24 LYS HB3 H 1.69 0.03 2 77 24 LYS HG2 H 1.41 0.03 2 78 24 LYS HD2 H 1.67 0.03 2 79 24 LYS HE2 H 2.96 0.03 1 80 24 LYS C C 174.91 0.20 1 81 24 LYS CA C 54.20 0.20 1 82 24 LYS CB C 37.15 0.20 1 83 24 LYS CG C 24.89 0.20 1 84 24 LYS CD C 28.99 0.20 1 85 24 LYS CE C 41.86 0.20 1 86 24 LYS N N 124.74 0.15 1 87 25 PHE H H 9.04 0.03 1 88 25 PHE HA H 5.42 0.03 1 89 25 PHE HB2 H 3.29 0.03 2 90 25 PHE HB3 H 2.84 0.03 2 91 25 PHE HD1 H 7.25 0.03 3 92 25 PHE C C 176.73 0.20 1 93 25 PHE CA C 57.75 0.20 1 94 25 PHE CB C 41.37 0.20 1 95 25 PHE N N 122.87 0.15 1 96 26 ASP H H 9.35 0.03 1 97 26 ASP HA H 4.34 0.03 1 98 26 ASP HB2 H 2.87 0.03 2 99 26 ASP C C 176.03 0.20 1 100 26 ASP CA C 56.31 0.20 1 101 26 ASP CB C 40.02 0.20 1 102 26 ASP N N 122.87 0.15 1 103 27 ARG H H 8.12 0.03 1 104 27 ARG HA H 4.59 0.03 1 105 27 ARG HB2 H 2.07 0.03 2 106 27 ARG HG2 H 1.80 0.03 2 107 27 ARG HD3 H 3.27 0.03 1 108 27 ARG C C 173.56 0.20 1 109 27 ARG CA C 54.88 0.20 1 110 27 ARG CB C 33.44 0.20 1 111 27 ARG CG C 26.15 0.20 1 112 27 ARG CD C 43.99 0.20 1 113 27 ARG N N 118.67 0.15 1 114 28 ASN H H 8.17 0.03 1 115 28 ASN HA H 4.64 0.03 1 116 28 ASN HB2 H 2.92 0.03 2 117 28 ASN HB3 H 2.81 0.03 2 118 28 ASN C C 173.11 0.20 1 119 28 ASN CA C 52.18 0.20 1 120 28 ASN CB C 39.60 0.20 1 121 28 ASN N N 114.23 0.15 1 122 29 LYS H H 7.09 0.03 1 123 29 LYS HA H 4.39 0.03 1 124 29 LYS HB2 H 1.83 0.03 2 125 29 LYS HB3 H 1.66 0.03 2 126 29 LYS HG2 H 1.36 0.03 2 127 29 LYS HD2 H 1.66 0.03 2 128 29 LYS HE2 H 2.94 0.03 1 129 29 LYS C C 174.23 0.20 1 130 29 LYS CA C 54.79 0.20 1 131 29 LYS CB C 36.56 0.20 1 132 29 LYS CG C 23.78 0.20 1 133 29 LYS CD C 28.84 0.20 1 134 29 LYS CE C 41.71 0.20 1 135 29 LYS N N 113.07 0.15 1 136 30 GLY H H 7.16 0.03 1 137 30 GLY HA2 H 4.14 0.03 2 138 30 GLY HA3 H 3.77 0.03 2 139 30 GLY C C 174.57 0.20 1 140 30 GLY CA C 45.59 0.20 1 141 30 GLY N N 104.66 0.15 1 142 31 GLU H H 8.61 0.03 1 143 31 GLU HA H 4.52 0.03 1 144 31 GLU HB2 H 2.23 0.03 2 145 31 GLU HB3 H 1.67 0.03 2 146 31 GLU HG2 H 2.47 0.03 2 147 31 GLU C C 176.36 0.20 1 148 31 GLU CA C 53.36 0.20 1 149 31 GLU CB C 31.41 0.20 1 150 31 GLU CG C 35.47 0.20 1 151 31 GLU N N 118.20 0.15 1 152 32 VAL H H 8.61 0.03 1 153 32 VAL HA H 3.30 0.03 1 154 32 VAL HB H 1.95 0.03 1 155 32 VAL HG1 H 0.92 0.03 1 156 32 VAL HG2 H 0.92 0.03 1 157 32 VAL C C 178.14 0.20 1 158 32 VAL CA C 66.02 0.20 1 159 32 VAL CB C 31.07 0.20 1 160 32 VAL CG1 C 22.75 0.20 1 161 32 VAL CG2 C 20.78 0.20 1 162 32 VAL N N 119.60 0.15 1 163 33 GLY H H 9.28 0.03 1 164 33 GLY HA2 H 4.55 0.03 2 165 33 GLY HA3 H 3.35 0.03 2 166 33 GLY C C 176.12 0.20 1 167 33 GLY CA C 44.92 0.20 1 168 33 GLY N N 117.27 0.15 1 169 34 ASP H H 8.36 0.03 1 170 34 ASP HA H 4.56 0.03 1 171 34 ASP HB2 H 3.12 0.03 2 172 34 ASP HB3 H 2.50 0.03 2 173 34 ASP C C 178.07 0.20 1 174 34 ASP CA C 54.71 0.20 1 176 34 ASP N N 121.71 0.15 1 177 35 ILE H H 8.40 0.03 1 178 35 ILE HA H 4.52 0.03 1 179 35 ILE HB H 1.70 0.03 1 180 35 ILE HG12 H 1.66 0.03 1 181 35 ILE HG2 H 0.61 0.03 1 182 35 ILE HD1 H 0.83 0.03 1 183 35 ILE C C 176.17 0.20 1 184 35 ILE CA C 60.62 0.20 1 185 35 ILE CB C 39.51 0.20 1 186 35 ILE CG1 C 27.97 0.20 1 187 35 ILE CG2 C 17.62 0.20 1 188 35 ILE CD1 C 13.12 0.20 1 189 35 ILE N N 118.20 0.15 1 190 36 LEU H H 8.92 0.03 1 191 36 LEU HA H 4.69 0.03 1 192 36 LEU HB2 H 1.93 0.03 2 193 36 LEU HB3 H 1.68 0.03 2 194 36 LEU HG H 1.64 0.03 1 195 36 LEU HD1 H 0.64 0.03 2 196 36 LEU HD2 H 0.58 0.03 2 197 36 LEU C C 176.54 0.20 1 198 36 LEU CA C 53.78 0.20 1 199 36 LEU CB C 43.23 0.20 1 200 36 LEU CG C 25.60 0.20 1 201 36 LEU CD1 C 22.44 0.20 1 202 36 LEU CD2 C 21.88 0.20 1 203 36 LEU N N 129.41 0.15 1 204 37 ILE H H 9.58 0.03 1 205 37 ILE HA H 4.70 0.03 1 206 37 ILE HB H 1.86 0.03 2 207 37 ILE HG12 H 1.60 0.03 2 208 37 ILE HG13 H 1.07 0.03 2 209 37 ILE HG2 H 0.67 0.03 1 210 37 ILE HD1 H 0.80 0.03 1 211 37 ILE C C 176.60 0.20 1 212 37 ILE CA C 60.53 0.20 1 213 37 ILE CB C 37.82 0.20 1 214 37 ILE CG2 C 17.14 0.20 1 215 37 ILE CD1 C 11.84 0.20 1 216 37 ILE N N 122.87 0.15 1 217 38 GLY H H 9.82 0.03 1 218 38 GLY HA2 H 4.20 0.03 2 219 38 GLY HA3 H 2.51 0.03 2 220 38 GLY C C 171.54 0.20 1 221 38 GLY CA C 44.66 0.20 1 222 38 GLY N N 118.90 0.15 1 223 39 THR H H 8.92 0.03 1 224 39 THR HA H 4.72 0.03 1 225 39 THR HB H 4.72 0.03 1 226 39 THR HG2 H 1.13 0.03 1 227 39 THR C C 174.00 0.20 1 228 39 THR CA C 62.73 0.20 1 229 39 THR CB C 69.82 0.20 1 230 39 THR CG2 C 22.52 0.20 1 231 39 THR N N 121.71 0.15 1 232 40 VAL H H 9.24 0.03 1 233 40 VAL HA H 5.33 0.03 1 234 40 VAL HB H 2.01 0.03 1 235 40 VAL HG1 H 0.97 0.03 2 236 40 VAL HG2 H 0.88 0.03 2 237 40 VAL C C 175.32 0.20 1 238 40 VAL CA C 60.36 0.20 1 239 40 VAL CB C 32.00 0.20 1 240 40 VAL CG1 C 22.04 0.20 1 241 40 VAL CG2 C 22.04 0.20 1 242 40 VAL N N 130.48 0.15 1 243 41 ARG H H 9.14 0.03 1 244 41 ARG HA H 5.18 0.03 1 245 41 ARG HB2 H 1.61 0.03 2 246 41 ARG HB3 H 1.39 0.03 2 247 41 ARG HG2 H 1.40 0.03 2 248 41 ARG HD2 H 3.11 0.03 1 249 41 ARG C C 174.46 0.20 1 250 41 ARG CA C 54.54 0.20 1 251 41 ARG CB C 34.87 0.20 1 252 41 ARG CG C 28.04 0.20 1 253 41 ARG CD C 43.13 0.20 1 254 41 ARG N N 127.55 0.15 1 255 42 ILE H H 8.61 0.03 1 256 42 ILE HA H 4.97 0.03 1 257 42 ILE HB H 1.45 0.03 1 258 42 ILE HG12 H 1.07 0.03 2 259 42 ILE HG13 H 0.38 0.03 2 260 42 ILE HG2 H 0.38 0.03 1 261 42 ILE HD1 H 0.36 0.03 1 263 42 ILE CA C 58.84 0.20 1 264 42 ILE CB C 40.36 0.20 1 265 42 ILE CG1 C 25.04 0.20 1 266 42 ILE CG2 C 18.02 0.20 1 267 42 ILE CD1 C 12.32 0.20 1 268 42 ILE N N 113.07 0.15 1 269 43 ASN H H 8.96 0.03 1 270 43 ASN HA H 4.96 0.03 1 271 43 ASN HB2 H 2.79 0.03 2 272 43 ASN HB3 H 2.53 0.03 2 273 43 ASN C C 172.54 0.20 1 274 43 ASN CA C 52.43 0.20 1 275 43 ASN CB C 42.30 0.20 1 277 44 ASN H H 8.71 0.03 1 278 44 ASN HA H 3.95 0.03 1 279 44 ASN HB2 H 2.77 0.03 2 280 44 ASN C C 173.49 0.20 1 281 44 ASN CA C 53.61 0.20 1 282 44 ASN CB C 37.40 0.20 1 283 44 ASN N N 120.77 0.15 1 284 45 ILE H H 9.29 0.03 1 285 45 ILE HA H 4.13 0.03 1 286 45 ILE HB H 1.85 0.03 1 287 45 ILE HG12 H 1.29 0.03 2 288 45 ILE HG13 H 0.61 0.03 2 289 45 ILE HG2 H 0.81 0.03 1 290 45 ILE HD1 H 0.25 0.03 1 291 45 ILE C C 174.23 0.20 1 292 45 ILE CA C 57.41 0.20 1 293 45 ILE CB C 33.60 0.20 1 294 45 ILE CG2 C 19.52 0.20 1 295 45 ILE CD1 C 8.23 0.20 1 296 45 ILE N N 123.11 0.15 1 297 46 LYS H H 7.92 0.03 1 298 46 LYS HA H 3.82 0.03 1 299 46 LYS HB2 H 1.62 0.03 2 300 46 LYS HG2 H 1.32 0.03 2 301 46 LYS HG3 H 1.20 0.03 2 302 46 LYS HD2 H 1.62 0.03 2 303 46 LYS HE2 H 2.96 0.03 1 304 46 LYS C C 177.22 0.20 1 305 46 LYS CA C 56.90 0.20 1 306 46 LYS CB C 31.49 0.20 1 307 46 LYS CG C 23.78 0.20 1 308 46 LYS CD C 28.46 0.20 1 309 46 LYS CE C 42.00 0.20 1 310 46 LYS N N 126.85 0.15 1 311 47 ASN H H 8.80 0.03 1 312 47 ASN HA H 4.88 0.03 1 313 47 ASN HB2 H 2.89 0.03 2 314 47 ASN C C 173.93 0.20 1 315 47 ASN CA C 53.10 0.20 1 316 47 ASN CB C 35.04 0.20 1 317 47 ASN N N 118.67 0.15 1 318 48 PHE H H 6.77 0.03 1 319 48 PHE HA H 4.48 0.03 1 320 48 PHE HB2 H 3.32 0.03 2 321 48 PHE HB3 H 3.12 0.03 2 322 48 PHE HD1 H 7.37 0.03 3 323 48 PHE C C 174.10 0.20 1 324 48 PHE CA C 59.77 0.20 1 325 48 PHE CB C 39.34 0.20 1 326 48 PHE N N 115.87 0.15 1 327 49 ALA H H 9.35 0.03 1 328 49 ALA HA H 4.52 0.03 1 329 49 ALA HB H 1.45 0.03 1 330 49 ALA C C 174.39 0.20 1 331 49 ALA CA C 51.33 0.20 1 332 49 ALA CB C 22.17 0.20 1 333 49 ALA N N 126.61 0.15 1 334 50 GLY H H 6.45 0.03 1 335 50 GLY HA2 H 4.17 0.03 2 336 50 GLY HA3 H 4.09 0.03 2 338 50 GLY CA C 46.44 0.20 1 339 50 GLY N N 103.01 0.15 1 340 51 PHE H H 9.01 0.03 1 341 51 PHE HA H 6.13 0.03 1 342 51 PHE HB2 H 3.28 0.03 2 343 51 PHE HB3 H 3.05 0.03 2 344 51 PHE C C 174.75 0.20 1 345 51 PHE CA C 56.48 0.20 1 346 51 PHE CB C 44.66 0.20 1 348 52 GLN H H 9.45 0.03 1 349 52 GLN HA H 5.06 0.03 1 350 52 GLN HB2 H 1.51 0.03 2 351 52 GLN HG2 H 2.33 0.03 2 352 52 GLN C C 170.55 0.20 1 353 52 GLN CA C 56.73 0.20 1 354 52 GLN CB C 31.92 0.20 1 355 52 GLN CG C 32.94 0.20 1 356 52 GLN N N 120.54 0.15 1 357 53 VAL H H 8.58 0.03 1 358 53 VAL HA H 5.34 0.03 1 359 53 VAL HB H 1.94 0.03 1 360 53 VAL HG1 H 0.81 0.03 2 361 53 VAL HG2 H 0.36 0.03 2 362 53 VAL C C 171.59 0.20 1 363 53 VAL CA C 59.35 0.20 1 364 53 VAL CB C 31.92 0.20 1 365 53 VAL CG1 C 22.67 0.20 1 366 53 VAL CG2 C 19.59 0.20 1 367 53 VAL N N 118.20 0.15 1 368 54 ASN H H 8.63 0.03 1 369 54 ASN HA H 5.71 0.03 1 370 54 ASN HB2 H 3.58 0.03 2 371 54 ASN HB3 H 2.40 0.03 2 372 54 ASN C C 173.54 0.20 1 373 54 ASN CA C 53.61 0.20 1 375 54 ASN N N 122.64 0.15 1 376 55 ILE H H 8.75 0.03 1 377 55 ILE HA H 4.92 0.03 1 378 55 ILE HB H 1.65 0.03 1 379 55 ILE HG2 H 0.68 0.03 1 380 55 ILE HD1 H 0.62 0.03 1 381 55 ILE C C 173.94 0.20 1 382 55 ILE CA C 59.94 0.20 1 383 55 ILE CB C 42.64 0.20 1 384 55 ILE CG2 C 17.07 0.20 1 385 55 ILE CD1 C 14.30 0.20 1 386 55 ILE N N 127.31 0.15 1 387 56 VAL H H 9.10 0.03 1 388 56 VAL HA H 5.77 0.03 1 389 56 VAL HB H 1.95 0.03 1 390 56 VAL HG1 H 0.96 0.03 2 391 56 VAL HG2 H 0.93 0.03 2 392 56 VAL C C 174.67 0.20 1 393 56 VAL CA C 59.35 0.20 1 394 56 VAL CB C 35.21 0.20 1 395 56 VAL CG1 C 21.33 0.20 1 396 56 VAL CG2 C 21.33 0.20 1 397 56 VAL N N 122.17 0.15 1 398 57 TYR H H 9.16 0.03 1 399 57 TYR HA H 4.90 0.03 1 400 57 TYR HB2 H 2.90 0.03 2 401 57 TYR HB3 H 2.74 0.03 2 402 57 TYR HD1 H 6.81 0.03 3 403 57 TYR C C 172.22 0.20 1 404 57 TYR CA C 54.54 0.20 1 405 57 TYR CB C 41.96 0.20 1 406 57 TYR N N 121.94 0.15 1 407 58 ASP H H 9.99 0.03 1 408 58 ASP HA H 4.99 0.03 1 409 58 ASP HB2 H 3.04 0.03 2 410 58 ASP HB3 H 2.53 0.03 2 411 58 ASP CA C 50.32 0.20 1 412 58 ASP CB C 41.24 0.20 1 413 58 ASP N N 121.01 0.15 1 414 59 PRO HA H 4.42 0.03 1 415 59 PRO HB2 H 1.68 0.03 2 416 59 PRO HB3 H 1.60 0.03 2 417 59 PRO HG2 H 1.48 0.03 2 418 59 PRO HG3 H 1.31 0.03 2 419 59 PRO C C 177.73 0.20 1 420 59 PRO CA C 63.40 0.20 1 421 59 PRO CB C 32.20 0.20 1 422 60 LYS H H 8.36 0.03 1 423 60 LYS HA H 4.32 0.03 1 424 60 LYS HB2 H 1.98 0.03 2 425 60 LYS HG2 H 1.55 0.03 2 426 60 LYS HD2 H 1.71 0.03 2 427 60 LYS HE2 H 3.07 0.03 1 428 60 LYS C C 177.68 0.20 1 429 60 LYS CA C 56.48 0.20 1 430 60 LYS CB C 31.75 0.20 1 431 60 LYS CG C 25.36 0.20 1 432 60 LYS CD C 28.45 0.20 1 433 60 LYS N N 116.80 0.15 1 434 61 VAL H H 7.92 0.03 1 435 61 VAL HA H 4.10 0.03 1 436 61 VAL HB H 1.94 0.03 1 437 61 VAL HG1 H 1.25 0.03 2 438 61 VAL HG2 H 0.79 0.03 2 439 61 VAL C C 173.67 0.20 1 440 61 VAL CA C 64.75 0.20 1 441 61 VAL CB C 34.96 0.20 1 442 61 VAL CG1 C 22.75 0.20 1 443 61 VAL CG2 C 19.20 0.20 1 444 61 VAL N N 120.07 0.15 1 445 62 LEU H H 8.42 0.03 1 446 62 LEU HA H 5.44 0.03 1 447 62 LEU HB2 H 1.70 0.03 2 448 62 LEU HB3 H 1.22 0.03 2 449 62 LEU HG H 1.56 0.03 1 450 62 LEU HD1 H 0.79 0.03 2 451 62 LEU HD2 H 0.41 0.03 2 453 62 LEU CA C 52.77 0.20 1 454 62 LEU CB C 47.36 0.20 1 455 62 LEU CG C 26.54 0.20 1 456 62 LEU CD1 C 26.15 0.20 1 457 62 LEU CD2 C 23.31 0.20 1 458 62 LEU N N 118.44 0.15 1 459 63 MET H H 8.52 0.03 1 460 63 MET HA H 5.04 0.03 1 461 63 MET HB2 H 2.21 0.03 2 462 63 MET HB3 H 1.90 0.03 2 463 63 MET HG2 H 2.62 0.03 2 464 63 MET HG3 H 2.26 0.03 2 468 63 MET CG C 31.05 0.20 1 470 64 ALA H H 7.82 0.03 1 471 64 ALA HA H 4.27 0.03 1 472 64 ALA HB H 0.51 0.03 1 473 64 ALA C C 177.24 0.20 1 474 64 ALA CA C 51.67 0.20 1 475 64 ALA CB C 16.89 0.20 1 477 65 VAL H H 8.83 0.03 1 478 65 VAL HA H 4.92 0.03 1 479 65 VAL HB H 1.61 0.03 1 480 65 VAL HG1 H 0.69 0.03 2 481 65 VAL HG2 H 0.44 0.03 2 482 65 VAL C C 174.05 0.20 1 483 65 VAL CA C 58.25 0.20 1 485 65 VAL CG1 C 21.75 0.20 1 486 65 VAL CG2 C 19.12 0.20 1 487 65 VAL N N 118.67 0.15 1 488 66 ASP H H 8.91 0.03 1 489 66 ASP HA H 4.91 0.03 1 490 66 ASP HB2 H 3.09 0.03 2 491 66 ASP HB3 H 2.52 0.03 2 492 66 ASP CA C 52.18 0.20 1 493 66 ASP CB C 42.72 0.20 1 494 66 ASP N N 124.04 0.15 1 495 67 PRO HA H 4.06 0.03 1 496 67 PRO C C 176.07 0.20 1 497 67 PRO CA C 64.33 0.20 1 498 67 PRO CB C 32.00 0.20 1 499 67 PRO CG C 27.25 0.20 1 500 68 GLU H H 8.88 0.03 1 501 68 GLU HA H 4.41 0.03 1 502 68 GLU HB2 H 2.24 0.03 2 503 68 GLU HB3 H 2.18 0.03 2 504 68 GLU HG2 H 2.23 0.03 2 505 68 GLU HG3 H 2.14 0.03 2 506 68 GLU C C 178.42 0.20 1 507 68 GLU CA C 57.75 0.20 1 508 68 GLU CB C 30.65 0.20 1 509 68 GLU CG C 36.57 0.20 1 510 68 GLU N N 117.97 0.15 1 511 69 THR H H 8.17 0.03 1 512 69 THR HA H 4.42 0.03 1 513 69 THR HB H 4.38 0.03 1 514 69 THR HG2 H 1.23 0.03 1 515 69 THR C C 176.82 0.20 1 516 69 THR CA C 61.72 0.20 1 517 69 THR CB C 71.17 0.20 1 518 69 THR CG2 C 20.78 0.20 1 519 69 THR N N 107.24 0.15 1 520 70 GLY H H 8.43 0.03 1 521 70 GLY HA2 H 4.17 0.03 2 522 70 GLY HA3 H 3.50 0.03 2 523 70 GLY C C 173.35 0.20 1 524 70 GLY CA C 45.59 0.20 1 525 70 GLY N N 110.96 0.15 1 526 71 LYS H H 7.60 0.03 1 527 71 LYS HA H 4.19 0.03 1 528 71 LYS HB2 H 1.80 0.03 2 529 71 LYS HB3 H 1.71 0.03 2 530 71 LYS HG2 H 1.48 0.03 2 531 71 LYS HD2 H 1.71 0.03 2 532 71 LYS HE2 H 3.07 0.03 1 533 71 LYS C C 177.13 0.20 1 534 71 LYS CA C 56.65 0.20 1 535 71 LYS CB C 32.93 0.20 1 536 71 LYS CG C 24.81 0.20 1 537 71 LYS CD C 28.68 0.20 1 538 71 LYS N N 119.84 0.15 1 539 72 GLU H H 9.36 0.03 1 540 72 GLU HA H 4.41 0.03 1 541 72 GLU HB2 H 2.12 0.03 2 542 72 GLU HB3 H 2.08 0.03 2 543 72 GLU HG2 H 2.63 0.03 2 544 72 GLU HG3 H 2.42 0.03 2 545 72 GLU C C 177.08 0.20 1 546 72 GLU CA C 57.83 0.20 1 547 72 GLU CB C 29.64 0.20 1 548 72 GLU CG C 36.42 0.20 1 549 72 GLU N N 125.45 0.15 1 550 73 PHE H H 8.43 0.03 1 551 73 PHE HA H 4.44 0.03 1 552 73 PHE HB2 H 3.11 0.03 2 553 73 PHE HB3 H 2.90 0.03 2 554 73 PHE HD1 H 7.08 0.03 3 555 73 PHE C C 176.69 0.20 1 556 73 PHE CA C 58.00 0.20 1 557 73 PHE CB C 39.60 0.20 1 558 73 PHE N N 123.61 0.15 1 559 74 THR H H 9.04 0.03 1 560 74 THR HA H 4.78 0.03 1 561 74 THR HB H 4.46 0.03 1 562 74 THR HG2 H 1.29 0.03 1 563 74 THR C C 176.59 0.20 1 564 74 THR CA C 59.77 0.20 1 565 74 THR CB C 71.34 0.20 1 566 74 THR CG2 C 21.33 0.20 1 567 74 THR N N 112.13 0.15 1 568 75 SER H H 9.15 0.03 1 569 75 SER HA H 4.71 0.03 1 570 75 SER HB2 H 4.51 0.03 2 571 75 SER HB3 H 4.33 0.03 2 573 75 SER CA C 61.55 0.20 1 575 75 SER N N 115.87 0.15 1 576 76 SER H H 7.81 0.03 1 577 76 SER HA H 4.84 0.03 1 578 76 SER HB2 H 4.19 0.03 2 579 76 SER C C 175.32 0.20 1 580 76 SER CA C 57.33 0.20 1 581 76 SER CB C 64.50 0.20 1 583 77 THR H H 7.23 0.03 1 584 77 THR HA H 3.74 0.03 1 585 77 THR HB H 3.33 0.03 1 586 77 THR HG2 H 0.23 0.03 1 587 77 THR C C 171.17 0.20 1 588 77 THR CA C 64.84 0.20 1 589 77 THR CB C 69.82 0.20 1 590 77 THR CG2 C 20.46 0.20 1 591 77 THR N N 120.07 0.15 1 592 78 PHE H H 8.70 0.03 1 593 78 PHE HA H 4.62 0.03 1 594 78 PHE HB2 H 3.11 0.03 2 595 78 PHE HB3 H 2.88 0.03 2 596 78 PHE CA C 54.96 0.20 1 597 78 PHE CB C 41.54 0.20 1 598 78 PHE N N 130.58 0.15 1 599 80 PRO C C 174.29 0.20 1 600 80 PRO CA C 62.47 0.20 1 601 80 PRO CB C 33.27 0.20 1 602 81 GLY H H 8.23 0.03 1 603 81 GLY HA2 H 3.94 0.03 2 604 81 GLY HA3 H 3.70 0.03 2 605 81 GLY C C 175.00 0.20 1 606 81 GLY CA C 46.10 0.20 1 607 81 GLY N N 100.69 0.15 1 608 82 ARG H H 7.57 0.03 1 609 82 ARG C C 176.36 0.20 1 610 82 ARG CA C 55.81 0.20 1 611 82 ARG CB C 29.81 0.20 1 612 82 ARG N N 115.40 0.15 1 613 83 THR H H 9.25 0.03 1 614 83 THR HA H 4.61 0.03 1 615 83 THR HB H 4.12 0.03 1 616 83 THR HG2 H 1.30 0.03 1 618 83 THR CA C 60.78 0.20 1 619 83 THR CB C 69.90 0.20 1 620 83 THR CG2 C 22.12 0.20 1 621 83 THR N N 108.16 0.15 1 622 84 VAL H H 7.05 0.03 1 623 84 VAL HA H 4.87 0.03 1 624 84 VAL HB H 2.01 0.03 1 625 84 VAL HG1 H 0.87 0.03 2 626 84 VAL HG2 H 0.78 0.03 2 627 84 VAL C C 173.85 0.20 1 628 84 VAL CA C 58.59 0.20 1 629 84 VAL CB C 35.60 0.20 1 630 84 VAL CG1 C 22.58 0.20 1 631 84 VAL CG2 C 18.80 0.20 1 633 85 LEU H H 9.70 0.03 1 634 85 LEU HA H 3.86 0.03 1 635 85 LEU HB2 H 1.87 0.03 2 636 85 LEU HB3 H 0.84 0.03 2 637 85 LEU HG H 1.12 0.03 1 638 85 LEU HD1 H 0.53 0.03 2 639 85 LEU HD2 H 0.05 0.03 2 640 85 LEU C C 177.62 0.20 1 641 85 LEU CA C 54.96 0.20 1 642 85 LEU CB C 37.83 0.20 1 643 85 LEU CG C 26.39 0.20 1 644 85 LEU CD1 C 26.00 0.20 1 645 85 LEU CD2 C 21.72 0.20 1 646 85 LEU N N 116.33 0.15 1 647 86 LYS H H 8.96 0.03 1 648 86 LYS HA H 4.48 0.03 1 649 86 LYS HB2 H 1.88 0.03 2 650 86 LYS HB3 H 1.65 0.03 2 651 86 LYS HG2 H 1.28 0.03 2 652 86 LYS HG3 H 1.16 0.03 2 653 86 LYS HD2 H 1.35 0.03 2 654 86 LYS HE2 H 2.97 0.03 1 655 86 LYS C C 176.43 0.20 1 656 86 LYS CA C 55.38 0.20 1 657 86 LYS CB C 33.18 0.20 1 658 86 LYS CG C 24.33 0.20 1 659 86 LYS CD C 28.83 0.20 1 660 86 LYS CE C 41.47 0.20 1 661 86 LYS N N 115.87 0.15 1 662 87 ASN H H 8.50 0.03 1 663 87 ASN HA H 4.60 0.03 1 664 87 ASN HB2 H 3.25 0.03 2 665 87 ASN HB3 H 2.86 0.03 2 666 87 ASN C C 176.38 0.20 1 667 87 ASN CA C 53.53 0.20 1 669 87 ASN N N 121.24 0.15 1 670 88 ASN H H 8.78 0.03 1 671 88 ASN HA H 4.26 0.03 1 672 88 ASN HB2 H 2.83 0.03 2 673 88 ASN HB3 H 2.82 0.03 2 674 88 ASN C C 177.33 0.20 1 675 88 ASN CA C 55.97 0.20 1 676 88 ASN CB C 38.33 0.20 1 677 88 ASN N N 124.98 0.15 1 678 89 ALA H H 8.24 0.03 1 679 89 ALA HA H 3.97 0.03 1 680 89 ALA HB H 0.78 0.03 1 681 89 ALA C C 178.85 0.20 1 682 89 ALA CA C 54.12 0.20 1 683 89 ALA CB C 17.48 0.20 1 684 89 ALA N N 121.24 0.15 1 685 90 TYR H H 6.79 0.03 1 686 90 TYR HA H 5.20 0.03 1 687 90 TYR HB2 H 2.73 0.03 2 688 90 TYR C C 176.67 0.20 1 689 90 TYR CA C 54.62 0.20 1 690 90 TYR CB C 35.29 0.20 1 691 90 TYR N N 112.83 0.15 1 692 91 GLY H H 7.60 0.03 1 693 91 GLY HA2 H 4.21 0.03 2 694 91 GLY HA3 H 3.72 0.03 2 695 91 GLY CA C 48.88 0.20 1 696 91 GLY N N 107.23 0.15 1 697 92 PRO C C 176.76 0.20 1 698 92 PRO CA C 63.66 0.20 1 699 92 PRO CB C 31.58 0.20 1 700 93 ILE H H 8.68 0.03 1 701 93 ILE HA H 4.37 0.03 1 702 93 ILE HB H 1.83 0.03 1 703 93 ILE HG12 H 1.59 0.03 2 704 93 ILE HG13 H 1.25 0.03 2 705 93 ILE HG2 H 0.83 0.03 1 706 93 ILE HD1 H 0.83 0.03 1 707 93 ILE C C 174.68 0.20 1 708 93 ILE CA C 60.03 0.20 1 709 93 ILE CB C 39.77 0.20 1 710 93 ILE CG1 C 26.07 0.20 1 711 93 ILE CG2 C 16.99 0.20 1 712 93 ILE CD1 C 12.33 0.20 1 713 93 ILE N N 125.91 0.15 1 714 94 GLN H H 8.37 0.03 1 715 94 GLN HA H 4.86 0.03 1 716 94 GLN HB2 H 1.30 0.03 1 717 94 GLN HB3 H 1.30 0.03 1 718 94 GLN HG2 H 1.83 0.03 2 719 94 GLN HG3 H 1.56 0.03 2 720 94 GLN C C 174.80 0.20 1 721 94 GLN CA C 53.53 0.20 1 722 94 GLN CB C 31.24 0.20 1 723 94 GLN CG C 33.18 0.20 1 724 94 GLN N N 125.68 0.15 1 725 95 ILE H H 9.21 0.03 1 726 95 ILE HA H 4.50 0.03 1 727 95 ILE HB H 1.84 0.03 1 728 95 ILE HG12 H 1.45 0.03 2 729 95 ILE HG13 H 1.10 0.03 2 730 95 ILE HG2 H 0.93 0.03 1 731 95 ILE HD1 H 0.86 0.03 1 732 95 ILE C C 173.66 0.20 1 733 95 ILE CA C 61.04 0.20 1 734 95 ILE CB C 41.88 0.20 1 735 95 ILE CG1 C 27.73 0.20 1 736 95 ILE CG2 C 17.38 0.20 1 737 95 ILE CD1 C 13.36 0.20 1 738 95 ILE N N 123.11 0.15 1 739 96 ALA H H 8.52 0.03 1 740 96 ALA HA H 5.32 0.03 1 741 96 ALA HB H 1.49 0.03 1 742 96 ALA C C 175.17 0.20 1 743 96 ALA CA C 51.75 0.20 1 744 96 ALA CB C 22.97 0.20 1 745 96 ALA N N 128.48 0.15 1 746 97 ASP H H 9.24 0.03 1 747 97 ASP HA H 5.02 0.03 1 748 97 ASP HB2 H 2.77 0.03 2 749 97 ASP HB3 H 2.40 0.03 2 750 97 ASP C C 174.49 0.20 1 751 97 ASP CA C 53.19 0.20 1 752 97 ASP CB C 41.37 0.20 1 753 97 ASP N N 124.51 0.15 1 754 98 ASN H H 9.32 0.03 1 755 98 ASN HA H 4.98 0.03 1 756 98 ASN HB2 H 3.33 0.03 2 757 98 ASN HB3 H 2.88 0.03 2 758 98 ASN C C 175.69 0.20 1 759 98 ASN CA C 53.02 0.20 1 760 98 ASN CB C 40.70 0.20 1 761 98 ASN N N 117.74 0.15 1 762 99 ASP H H 9.53 0.03 1 763 99 ASP HA H 5.17 0.03 1 764 99 ASP HB2 H 3.10 0.03 2 765 99 ASP HB3 H 2.52 0.03 2 766 99 ASP CA C 51.42 0.20 1 767 99 ASP CB C 41.37 0.20 1 768 99 ASP N N 117.27 0.15 1 769 100 PRO HA H 4.64 0.03 1 770 100 PRO HB2 H 2.61 0.03 2 771 100 PRO HB3 H 2.23 0.03 2 772 100 PRO C C 178.96 0.20 1 773 100 PRO CA C 64.75 0.20 1 775 100 PRO CG C 27.65 0.20 1 776 101 GLU H H 8.26 0.03 1 777 101 GLU HA H 4.18 0.03 1 778 101 GLU HB2 H 2.20 0.03 2 779 101 GLU HG2 H 2.38 0.03 2 780 101 GLU HG3 H 2.31 0.03 2 781 101 GLU C C 177.99 0.20 1 782 101 GLU CA C 59.01 0.20 1 783 101 GLU CB C 29.55 0.20 1 784 101 GLU CG C 36.97 0.20 1 785 101 GLU N N 116.57 0.15 1 786 102 LYS H H 7.32 0.03 1 787 102 LYS HA H 4.38 0.03 1 788 102 LYS HB2 H 2.02 0.03 2 789 102 LYS HB3 H 1.53 0.03 2 790 102 LYS HG2 H 1.53 0.03 2 791 102 LYS HG3 H 1.34 0.03 2 792 102 LYS HD2 H 1.72 0.03 2 793 102 LYS HE2 H 3.04 0.03 1 794 102 LYS C C 176.58 0.20 1 795 102 LYS CA C 55.72 0.20 1 796 102 LYS CB C 34.11 0.20 1 797 102 LYS CG C 25.68 0.20 1 798 102 LYS CD C 28.99 0.20 1 799 102 LYS CE C 42.00 0.20 1 800 102 LYS N N 115.40 0.15 1 801 103 GLY H H 7.84 0.03 1 802 103 GLY HA2 H 3.95 0.03 2 803 103 GLY HA3 H 2.38 0.03 2 804 103 GLY C C 171.98 0.20 1 805 103 GLY CA C 45.34 0.20 1 806 103 GLY N N 109.33 0.15 1 807 104 ILE H H 7.47 0.03 1 808 104 ILE HA H 4.83 0.03 1 809 104 ILE HB H 1.98 0.03 1 810 104 ILE HG12 H 1.47 0.03 1 811 104 ILE HG2 H 1.02 0.03 1 812 104 ILE HD1 H 1.02 0.03 1 813 104 ILE C C 176.71 0.20 1 814 104 ILE CA C 60.28 0.20 1 815 104 ILE CB C 29.30 0.20 1 816 104 ILE CG1 C 27.18 0.20 1 817 104 ILE CG2 C 17.94 0.20 1 818 104 ILE CD1 C 13.91 0.20 1 819 104 ILE N N 117.74 0.15 1 820 105 LEU H H 9.81 0.03 1 821 105 LEU HA H 5.24 0.03 1 822 105 LEU HB2 H 2.08 0.03 2 823 105 LEU HB3 H 1.49 0.03 2 824 105 LEU HG H 1.87 0.03 2 825 105 LEU HD1 H 0.66 0.03 2 826 105 LEU HD2 H 0.79 0.03 2 827 105 LEU C C 174.72 0.20 1 828 105 LEU CA C 53.10 0.20 1 830 105 LEU CG C 26.68 0.20 1 831 105 LEU CD1 C 26.68 0.20 1 832 105 LEU CD2 C 24.33 0.20 1 833 105 LEU N N 128.72 0.15 1 834 106 ASN H H 8.91 0.03 1 835 106 ASN HA H 5.94 0.03 1 836 106 ASN HB2 H 2.87 0.03 2 837 106 ASN HB3 H 2.72 0.03 2 838 106 ASN C C 172.63 0.20 1 839 106 ASN CA C 53.19 0.20 1 840 106 ASN CB C 41.12 0.20 1 841 106 ASN N N 122.64 0.15 1 842 107 PHE H H 8.02 0.03 1 843 107 PHE HA H 5.66 0.03 1 844 107 PHE HB2 H 3.48 0.03 2 845 107 PHE HB3 H 3.35 0.03 2 846 107 PHE HD1 H 7.18 0.03 3 848 107 PHE CA C 55.47 0.20 1 849 107 PHE CB C 39.68 0.20 1 850 107 PHE N N 119.83 0.20 1 851 108 ALA H H 9.52 0.03 1 852 108 ALA HA H 4.88 0.03 1 853 108 ALA HB H 1.41 0.03 1 854 108 ALA C C 174.17 0.20 1 855 108 ALA CA C 51.33 0.20 1 856 108 ALA CB C 23.98 0.20 1 857 108 ALA N N 123.11 0.15 1 858 109 LEU H H 7.32 0.03 1 859 109 LEU HA H 5.18 0.03 1 860 109 LEU HB2 H 1.63 0.03 2 861 109 LEU HB3 H 1.37 0.03 2 862 109 LEU HG H 1.37 0.03 2 863 109 LEU HD1 H 0.98 0.03 2 864 109 LEU HD2 H 0.71 0.03 2 865 109 LEU C C 173.62 0.20 1 866 109 LEU CA C 53.86 0.20 1 867 109 LEU CB C 46.86 0.20 1 868 109 LEU CG C 27.33 0.20 1 869 109 LEU CD1 C 27.33 0.20 1 870 109 LEU CD2 C 24.33 0.20 1 871 109 LEU N N 121.47 0.15 1 872 110 ALA H H 7.74 0.03 1 873 110 ALA HA H 4.78 0.03 1 874 110 ALA HB H 1.29 0.03 1 875 110 ALA C C 177.69 0.20 1 876 110 ALA CA C 51.16 0.20 1 877 110 ALA CB C 22.80 0.20 1 878 110 ALA N N 124.28 0.15 1 879 111 TYR H H 7.61 0.03 1 880 111 TYR HA H 4.62 0.03 1 881 111 TYR HB2 H 3.07 0.03 2 882 111 TYR HB3 H 2.58 0.03 2 883 111 TYR HD1 H 7.60 0.03 3 884 111 TYR C C 173.84 0.20 1 885 111 TYR CA C 55.13 0.20 1 887 111 TYR N N 117.97 0.15 1 888 112 SER H H 8.39 0.03 1 889 112 SER HA H 4.52 0.03 1 890 112 SER HB2 H 3.98 0.03 2 891 112 SER HB3 H 3.92 0.03 2 892 112 SER C C 176.37 0.20 1 893 112 SER CA C 59.69 0.20 1 894 112 SER CB C 64.33 0.20 1 895 112 SER N N 117.04 0.15 1 896 113 TYR H H 8.31 0.03 1 897 113 TYR HA H 5.43 0.03 1 898 113 TYR HB2 H 3.24 0.03 2 899 113 TYR HB3 H 2.99 0.03 2 900 113 TYR HD1 H 7.41 0.03 3 901 113 TYR C C 176.33 0.20 1 902 113 TYR CA C 53.70 0.20 1 903 113 TYR CB C 35.80 0.20 1 904 113 TYR N N 126.38 0.15 1 905 114 ILE H H 7.41 0.03 1 906 114 ILE HA H 4.03 0.03 1 907 114 ILE HB H 2.31 0.03 1 908 114 ILE HG12 H 1.58 0.03 2 909 114 ILE HG13 H 1.25 0.03 2 910 114 ILE HG2 H 1.14 0.03 1 911 114 ILE HD1 H 0.92 0.03 1 912 114 ILE C C 177.38 0.20 1 913 114 ILE CA C 64.58 0.20 1 914 114 ILE CB C 37.40 0.20 1 915 114 ILE CG1 C 26.14 0.20 1 916 114 ILE CG2 C 19.99 0.20 1 917 114 ILE CD1 C 13.29 0.20 1 918 114 ILE N N 116.80 0.15 1 919 115 ALA H H 8.54 0.03 1 920 115 ALA HA H 3.99 0.03 1 921 115 ALA HB H 1.36 0.03 1 922 115 ALA C C 180.57 0.20 1 923 115 ALA CA C 55.13 0.20 1 924 115 ALA CB C 17.82 0.20 1 925 115 ALA N N 123.34 0.15 1 926 116 GLY H H 6.51 0.03 1 927 116 GLY HA2 H 3.73 0.03 2 928 116 GLY HA3 H 3.33 0.03 2 929 116 GLY C C 174.86 0.20 1 930 116 GLY CA C 46.77 0.20 1 931 116 GLY N N 103.96 0.15 1 932 117 TYR H H 6.69 0.03 1 933 117 TYR HA H 4.01 0.03 1 934 117 TYR HB2 H 2.87 0.03 2 935 117 TYR HB3 H 2.20 0.03 2 936 117 TYR C C 176.88 0.20 1 937 117 TYR CA C 57.66 0.20 1 939 117 TYR N N 124.28 0.15 1 940 118 LYS H H 8.21 0.03 1 941 118 LYS HA H 4.00 0.03 1 942 118 LYS HB2 H 1.99 0.03 2 943 118 LYS HG2 H 1.22 0.03 2 944 118 LYS C C 178.81 0.20 1 945 118 LYS CA C 58.51 0.20 1 946 118 LYS CB C 31.83 0.20 1 947 118 LYS CG C 24.18 0.20 1 948 118 LYS N N 120.31 0.15 1 949 119 GLU H H 7.47 0.03 1 950 119 GLU HA H 3.70 0.03 1 951 119 GLU HB2 H 2.01 0.03 2 952 119 GLU HB3 H 1.98 0.03 2 953 119 GLU HG2 H 2.25 0.03 2 954 119 GLU C C 178.50 0.20 1 955 119 GLU CA C 58.68 0.20 1 956 119 GLU CB C 29.30 0.20 1 957 119 GLU CG C 36.10 0.20 1 958 119 GLU N N 117.74 0.15 1 959 120 THR H H 7.43 0.03 1 960 120 THR HA H 4.11 0.03 1 961 120 THR HB H 4.38 0.03 1 962 120 THR HG2 H 1.56 0.03 1 963 120 THR C C 177.14 0.20 1 964 120 THR CA C 64.84 0.20 1 965 120 THR CB C 69.73 0.20 1 966 120 THR CG2 C 21.88 0.20 1 967 120 THR N N 110.73 0.15 1 968 121 GLY H H 7.26 0.03 1 969 121 GLY HA2 H 4.09 0.03 2 970 121 GLY HA3 H 3.78 0.03 2 971 121 GLY C C 173.81 0.20 1 972 121 GLY CA C 46.44 0.20 1 973 121 GLY N N 106.76 0.15 1 974 122 VAL H H 8.12 0.03 1 975 122 VAL HA H 4.42 0.03 1 976 122 VAL HB H 2.14 0.03 1 977 122 VAL HG1 H 1.03 0.03 2 978 122 VAL HG2 H 1.00 0.03 2 979 122 VAL C C 174.06 0.20 1 980 122 VAL CA C 61.71 0.20 1 981 122 VAL CB C 33.10 0.20 1 982 122 VAL CG1 C 21.33 0.20 1 983 122 VAL CG2 C 20.78 0.20 1 984 122 VAL N N 122.41 0.15 1 985 123 ALA H H 8.70 0.03 1 986 123 ALA HA H 4.63 0.03 1 987 123 ALA HB H 1.04 0.03 1 988 123 ALA CA C 51.42 0.20 1 989 123 ALA CB C 20.10 0.20 1 990 123 ALA N N 129.18 0.15 1 991 124 GLU H H 8.56 0.03 1 992 124 GLU HA H 4.62 0.03 1 993 124 GLU HB2 H 2.48 0.03 2 994 124 GLU HG2 H 2.82 0.03 2 995 124 GLU C C 174.17 0.20 1 996 124 GLU CA C 55.55 0.20 1 997 124 GLU CB C 28.96 0.20 1 998 124 GLU CG C 36.57 0.20 1 999 124 GLU N N 124.51 0.15 1 1000 125 GLU H H 7.42 0.03 1 1001 125 GLU HA H 4.56 0.03 1 1002 125 GLU HB2 H 1.81 0.03 2 1003 125 GLU HG2 H 2.23 0.03 2 1004 125 GLU C C 176.22 0.20 1 1005 125 GLU CA C 57.16 0.20 1 1006 125 GLU CB C 32.25 0.20 1 1007 125 GLU CG C 37.84 0.20 1 1008 125 GLU N N 115.87 0.15 1 1009 126 SER H H 7.28 0.03 1 1010 126 SER HA H 4.85 0.03 1 1011 126 SER HB2 H 3.98 0.03 2 1012 126 SER HB3 H 3.63 0.03 2 1013 126 SER C C 172.30 0.20 1 1014 126 SER CA C 56.48 0.20 1 1015 126 SER CB C 67.37 0.20 1 1016 126 SER N N 108.39 0.15 1 1017 127 GLY H H 8.33 0.03 1 1018 127 GLY HA2 H 4.24 0.03 2 1019 127 GLY HA3 H 3.90 0.03 2 1020 127 GLY C C 170.82 0.20 1 1021 127 GLY CA C 44.58 0.20 1 1022 127 GLY N N 108.63 0.20 1 1023 128 ILE H H 7.98 0.03 1 1024 128 ILE HA H 4.21 0.03 1 1025 128 ILE HB H 1.92 0.03 1 1026 128 ILE HG12 H 1.71 0.03 1 1027 128 ILE HG2 H 0.80 0.03 1 1028 128 ILE HD1 H 0.87 0.03 1 1029 128 ILE C C 177.12 0.20 1 1030 128 ILE CA C 61.54 0.20 1 1031 128 ILE CB C 39.60 0.20 1 1032 128 ILE CG1 C 27.92 0.20 1 1033 128 ILE CG2 C 18.80 0.20 1 1034 128 ILE CD1 C 13.75 0.20 1 1035 128 ILE N N 119.14 0.15 1 1036 129 ILE H H 8.96 0.03 1 1037 129 ILE HA H 4.56 0.03 1 1038 129 ILE HB H 1.86 0.03 1 1039 129 ILE HG12 H 1.15 0.03 1 1040 129 ILE HG2 H 0.86 0.03 1 1041 129 ILE HD1 H 0.60 0.03 1 1042 129 ILE C C 173.76 0.20 1 1043 129 ILE CA C 61.38 0.20 1 1044 129 ILE CB C 37.79 0.20 1 1045 129 ILE CG2 C 18.02 0.20 1 1046 129 ILE N N 119.61 0.15 1 1047 130 ALA H H 7.40 0.03 1 1048 130 ALA HA H 4.21 0.03 1 1049 130 ALA HB H 1.23 0.03 1 1050 130 ALA C C 174.35 0.20 1 1051 130 ALA CA C 52.94 0.20 1 1052 130 ALA CB C 23.22 0.20 1 1053 130 ALA N N 119.14 0.15 1 1054 131 LYS H H 8.38 0.03 1 1055 131 LYS HA H 5.07 0.03 1 1056 131 LYS C C 173.51 0.20 1 1057 131 LYS CA C 54.96 0.20 1 1058 131 LYS CB C 35.57 0.20 1 1059 131 LYS CG C 25.60 0.20 1 1060 131 LYS CD C 29.70 0.20 1 1061 131 LYS N N 120.54 0.15 1 1062 132 ILE H H 8.80 0.03 1 1063 132 ILE HA H 3.92 0.03 1 1064 132 ILE HB H 1.19 0.03 1 1065 132 ILE HG12 H 1.25 0.03 2 1066 132 ILE HG13 H 0.60 0.03 2 1067 132 ILE HG2 H 0.13 0.03 1 1068 132 ILE HD1 H 0.54 0.03 1 1069 132 ILE C C 175.04 0.20 1 1070 132 ILE CA C 60.45 0.20 1 1071 132 ILE CB C 42.39 0.20 1 1072 132 ILE CG1 C 28.04 0.20 1 1073 132 ILE CG2 C 18.75 0.20 1 1074 132 ILE CD1 C 14.93 0.20 1 1075 132 ILE N N 119.14 0.15 1 1076 133 GLY H H 7.73 0.03 1 1077 133 GLY HA2 H 4.89 0.03 2 1078 133 GLY HA3 H 2.87 0.03 2 1079 133 GLY C C 171.66 0.20 1 1080 133 GLY CA C 43.99 0.20 1 1081 133 GLY N N 113.30 0.15 1 1082 134 PHE H H 9.55 0.03 1 1083 134 PHE HA H 4.97 0.03 1 1084 134 PHE HB2 H 2.86 0.03 2 1085 134 PHE HB3 H 2.67 0.03 2 1086 134 PHE HD1 H 6.73 0.03 3 1087 134 PHE C C 174.02 0.20 1 1088 134 PHE CA C 56.65 0.20 1 1089 134 PHE CB C 41.37 0.20 1 1090 134 PHE N N 122.18 0.15 1 1091 135 LYS H H 9.62 0.03 1 1092 135 LYS C C 176.36 0.20 1 1093 135 LYS CA C 54.96 0.20 1 1094 135 LYS CB C 34.70 0.20 1 1095 135 LYS CG C 24.57 0.20 1 1096 135 LYS N N 126.61 0.15 1 1097 136 ILE H H 8.72 0.03 1 1098 136 ILE HA H 3.95 0.03 1 1099 136 ILE HB H 1.96 0.03 1 1100 136 ILE HG12 H 1.70 0.03 2 1101 136 ILE HG2 H 0.64 0.03 1 1102 136 ILE HD1 H 0.64 0.03 1 1104 136 ILE CA C 63.40 0.20 1 1105 136 ILE CB C 37.99 0.20 1 1106 136 ILE CG1 C 28.19 0.20 1 1107 136 ILE CG2 C 17.78 0.20 1 1108 136 ILE CD1 C 13.42 0.20 1 1109 136 ILE N N 126.84 0.15 1 1110 137 LEU H H 9.54 0.03 1 1111 137 LEU HA H 4.48 0.03 1 1112 137 LEU HB2 H 1.42 0.03 2 1113 137 LEU HB3 H 1.13 0.03 2 1114 137 LEU HG H 1.60 0.03 1 1115 137 LEU HD1 H 0.75 0.03 2 1116 137 LEU HD2 H 0.73 0.03 2 1117 137 LEU C C 177.83 0.20 1 1118 137 LEU CA C 55.55 0.20 1 1119 137 LEU CB C 42.38 0.20 1 1120 137 LEU CG C 25.73 0.20 1 1121 137 LEU CD1 C 25.68 0.20 2 1122 137 LEU CD2 C 21.49 0.20 2 1124 138 GLN H H 7.57 0.03 1 1125 138 GLN HA H 4.52 0.03 1 1126 138 GLN HB2 H 2.10 0.03 2 1127 138 GLN HB3 H 1.84 0.03 2 1128 138 GLN HG2 H 2.31 0.03 2 1129 138 GLN C C 173.27 0.20 1 1130 138 GLN CA C 54.37 0.20 1 1132 138 GLN N N 113.30 0.15 1 1133 139 LYS H H 8.70 0.03 1 1134 139 LYS HA H 4.05 0.03 1 1135 139 LYS HB2 H 1.85 0.03 2 1136 139 LYS HB3 H 1.62 0.03 2 1137 139 LYS HG2 H 1.49 0.03 2 1138 139 LYS HG3 H 1.28 0.03 2 1139 139 LYS HD2 H 1.87 0.03 1 1140 139 LYS C C 174.12 0.20 1 1141 139 LYS CA C 55.64 0.20 1 1142 139 LYS CB C 29.72 0.20 1 1143 139 LYS CG C 25.04 0.20 1 1144 139 LYS CD C 29.72 0.20 1 1145 139 LYS CE C 41.31 0.20 1 1146 139 LYS N N 121.47 0.15 1 1147 140 LYS H H 7.01 0.03 1 1148 140 LYS HA H 4.42 0.03 1 1149 140 LYS HB2 H 1.70 0.03 2 1150 140 LYS HB3 H 1.57 0.03 2 1151 140 LYS HG2 H 1.29 0.03 2 1152 140 LYS HD2 H 1.61 0.03 2 1153 140 LYS HE2 H 2.93 0.03 1 1154 140 LYS C C 173.79 0.20 1 1155 140 LYS CA C 54.12 0.20 1 1156 140 LYS CB C 36.05 0.20 1 1157 140 LYS CG C 24.36 0.20 1 1158 140 LYS CD C 29.01 0.20 1 1159 140 LYS CE C 41.17 0.20 1 1160 140 LYS N N 124.98 0.15 1 1161 141 SER H H 8.53 0.03 1 1162 141 SER HA H 4.78 0.03 1 1163 141 SER HB2 H 4.07 0.03 2 1164 141 SER HB3 H 3.83 0.03 2 1165 141 SER C C 174.11 0.20 1 1166 141 SER CA C 59.69 0.20 1 1167 141 SER CB C 62.81 0.20 1 1168 141 SER N N 117.97 0.15 1 1169 142 THR H H 8.42 0.03 1 1170 142 THR HA H 4.65 0.03 1 1171 142 THR HB H 4.05 0.03 1 1172 142 THR HG2 H 1.04 0.03 1 1173 142 THR C C 169.51 0.20 1 1174 142 THR CA C 61.46 0.20 1 1176 142 THR CG2 C 18.33 0.20 1 1177 142 THR N N 118.90 0.15 1 1178 143 ALA H H 7.94 0.03 1 1179 143 ALA HA H 5.18 0.03 1 1180 143 ALA HB H 1.32 0.03 1 1181 143 ALA C C 177.01 0.20 1 1182 143 ALA CA C 50.40 0.20 1 1183 143 ALA CB C 22.21 0.20 1 1184 143 ALA N N 124.04 0.15 1 1185 144 VAL H H 8.44 0.03 1 1186 144 VAL HA H 4.60 0.03 1 1187 144 VAL HB H 1.62 0.03 1 1188 144 VAL HG1 H 0.61 0.03 2 1189 144 VAL HG2 H 0.31 0.03 2 1190 144 VAL C C 174.58 0.20 1 1191 144 VAL CA C 61.54 0.20 1 1192 144 VAL CB C 33.27 0.20 1 1193 144 VAL CG1 C 21.73 0.20 1 1194 144 VAL CG2 C 21.35 0.20 1 1195 144 VAL N N 127.31 0.15 1 1196 145 LYS H H 8.28 0.03 1 1197 145 LYS HA H 4.98 0.03 1 1198 145 LYS HB2 H 1.79 0.03 2 1199 145 LYS HB3 H 1.63 0.03 2 1200 145 LYS HG2 H 1.27 0.03 2 1201 145 LYS HG3 H 1.19 0.03 2 1202 145 LYS HD2 H 1.60 0.03 2 1203 145 LYS HE2 H 2.88 0.03 1 1204 145 LYS C C 176.60 0.20 1 1205 145 LYS CA C 54.53 0.20 1 1206 145 LYS CB C 36.30 0.20 1 1207 145 LYS CG C 24.33 0.20 1 1208 145 LYS CD C 29.86 0.20 1 1209 145 LYS CE C 41.86 0.20 1 1210 145 LYS N N 121.23 0.15 1 1211 146 PHE H H 9.61 0.03 1 1212 146 PHE HA H 5.37 0.03 1 1213 146 PHE HB2 H 3.86 0.03 2 1214 146 PHE HB3 H 2.82 0.03 2 1215 146 PHE HD1 H 7.06 0.03 3 1216 146 PHE C C 177.75 0.20 1 1217 146 PHE CA C 58.59 0.20 1 1218 146 PHE CB C 39.43 0.20 1 1219 146 PHE N N 121.94 0.15 1 1220 147 GLN H H 8.65 0.03 1 1221 147 GLN HA H 4.60 0.03 1 1222 147 GLN HB2 H 1.84 0.03 2 1223 147 GLN HB3 H 1.77 0.03 2 1224 147 GLN HG2 H 2.68 0.03 2 1225 147 GLN HG3 H 2.48 0.03 2 1226 147 GLN C C 175.38 0.20 1 1227 147 GLN CA C 55.04 0.20 1 1228 147 GLN CB C 34.53 0.20 1 1229 147 GLN CG C 34.53 0.20 1 1230 147 GLN N N 125.45 0.15 1 1231 148 ASP H H 8.52 0.03 1 1232 148 ASP HA H 4.40 0.03 1 1233 148 ASP HB2 H 2.71 0.03 2 1234 148 ASP HB3 H 2.47 0.03 2 1235 148 ASP C C 175.11 0.20 1 1236 148 ASP CA C 55.55 0.20 1 1237 148 ASP CB C 42.38 0.20 1 1238 148 ASP N N 124.28 0.15 1 1239 149 THR H H 9.18 0.03 1 1240 149 THR HA H 4.76 0.03 1 1241 149 THR HB H 4.09 0.03 1 1242 149 THR HG2 H 1.02 0.03 1 1243 149 THR C C 174.58 0.20 1 1244 149 THR CA C 58.34 0.20 1 1245 149 THR CB C 69.31 0.20 1 1246 149 THR CG2 C 20.62 0.20 1 1247 149 THR N N 114.70 0.15 1 1248 150 LEU H H 8.59 0.03 1 1249 150 LEU HA H 4.09 0.03 1 1250 150 LEU HB2 H 1.78 0.03 2 1251 150 LEU HB3 H 1.62 0.03 2 1252 150 LEU HG H 1.72 0.03 1 1253 150 LEU HD1 H 0.95 0.03 1 1254 150 LEU HD2 H 0.95 0.03 1 1256 150 LEU CA C 57.66 0.20 1 1258 150 LEU CG C 26.94 0.20 1 1259 150 LEU CD1 C 24.65 0.20 2 1260 150 LEU CD2 C 23.46 0.20 2 1261 150 LEU N N 129.92 0.15 1 1262 151 SER H H 8.02 0.03 1 1263 151 SER HA H 4.37 0.03 1 1264 151 SER HB2 H 4.05 0.03 2 1265 151 SER HB3 H 3.86 0.03 2 1266 151 SER C C 173.90 0.20 1 1267 151 SER CA C 59.18 0.20 1 1268 151 SER CB C 62.90 0.20 1 1269 151 SER N N 111.20 0.15 1 1270 152 MET H H 7.71 0.03 1 1271 152 MET HA H 4.91 0.03 1 1272 152 MET HB2 H 2.10 0.03 2 1273 152 MET HB3 H 1.79 0.03 2 1274 152 MET HG2 H 2.31 0.03 2 1275 152 MET CA C 53.27 0.20 1 1276 152 MET CB C 34.96 0.20 1 1277 152 MET N N 120.54 0.15 1 1278 153 PRO HA H 4.49 0.03 1 1279 153 PRO C C 178.58 0.20 1 1280 153 PRO CA C 63.91 0.20 1 1281 153 PRO CB C 31.16 0.20 1 1282 154 GLY H H 8.86 0.03 1 1283 154 GLY HA2 H 4.01 0.03 2 1284 154 GLY HA3 H 3.94 0.03 2 1285 154 GLY C C 173.98 0.20 1 1286 154 GLY CA C 45.51 0.20 1 1287 154 GLY N N 110.50 0.15 1 1288 155 ALA H H 7.28 0.03 1 1289 155 ALA HA H 4.51 0.03 1 1290 155 ALA HB H 1.50 0.03 1 1291 155 ALA C C 176.43 0.20 1 1292 155 ALA CA C 51.84 0.20 1 1294 155 ALA N N 121.47 0.15 1 1295 156 ILE H H 8.79 0.03 1 1296 156 ILE HA H 4.24 0.03 1 1297 156 ILE HB H 1.62 0.03 1 1298 156 ILE HG12 H 1.60 0.03 2 1299 156 ILE HG13 H 0.97 0.03 2 1300 156 ILE HG2 H 0.67 0.03 1 1301 156 ILE HD1 H 0.67 0.03 1 1302 156 ILE C C 175.98 0.20 1 1303 156 ILE CA C 60.78 0.20 1 1304 156 ILE CB C 37.40 0.20 1 1305 156 ILE CG1 C 27.09 0.20 2 1306 156 ILE CG2 C 17.15 0.20 2 1307 156 ILE CD1 C 12.80 0.20 1 1308 156 ILE N N 119.84 0.15 1 1309 157 SER H H 9.46 0.03 1 1310 157 SER HA H 4.78 0.03 1 1311 157 SER HB2 H 4.21 0.03 2 1312 157 SER HB3 H 3.89 0.03 2 1314 157 SER CA C 57.58 0.20 1 1315 157 SER CB C 63.23 0.20 1 1316 157 SER N N 126.38 0.15 1 1317 158 GLY H H 8.17 0.03 1 1318 158 GLY HA2 H 4.28 0.03 2 1319 158 GLY HA3 H 3.48 0.03 2 1320 158 GLY C C 172.52 0.20 1 1321 158 GLY CA C 46.27 0.20 1 1322 158 GLY N N 100.23 0.15 1 1323 159 THR H H 7.55 0.03 1 1324 159 THR HA H 5.12 0.03 1 1325 159 THR HB H 3.71 0.03 1 1326 159 THR HG2 H 0.74 0.03 1 1327 159 THR C C 172.12 0.20 1 1328 159 THR CA C 59.18 0.20 1 1329 159 THR CB C 73.28 0.20 1 1330 159 THR N N 107.46 0.15 1 1331 160 GLN H H 8.89 0.03 1 1332 160 GLN HA H 4.79 0.03 1 1333 160 GLN HB2 H 2.01 0.03 2 1334 160 GLN HB3 H 1.61 0.03 2 1335 160 GLN HG2 H 2.01 0.03 2 1337 160 GLN CA C 55.64 0.20 1 1338 160 GLN CB C 33.27 0.20 1 1339 160 GLN CG C 34.99 0.20 1 1340 160 GLN N N 123.11 0.15 1 1341 161 LEU H H 8.86 0.03 1 1342 161 LEU HA H 5.30 0.03 1 1343 161 LEU HB2 H 1.59 0.03 2 1344 161 LEU HB3 H 1.48 0.03 2 1345 161 LEU HG H 1.54 0.03 1 1346 161 LEU HD1 H 0.03 0.03 2 1347 161 LEU HD2 H 0.80 0.03 2 1348 161 LEU C C 174.22 0.20 1 1349 161 LEU CA C 52.94 0.20 1 1350 161 LEU CB C 44.58 0.20 1 1351 161 LEU CG C 27.02 0.20 1 1352 161 LEU CD1 C 24.73 0.20 1 1353 161 LEU CD2 C 23.54 0.20 1 1355 162 PHE H H 8.57 0.03 1 1356 162 PHE HA H 5.48 0.03 1 1357 162 PHE HB2 H 3.08 0.03 2 1358 162 PHE HB3 H 2.37 0.03 2 1359 162 PHE HD1 H 6.82 0.03 3 1360 162 PHE HE1 H 7.19 0.03 3 1361 162 PHE C C 175.67 0.20 1 1362 162 PHE CA C 56.23 0.20 1 1363 162 PHE CB C 43.57 0.20 1 1364 162 PHE N N 118.67 0.15 1 1365 163 ASP H H 9.22 0.03 1 1366 163 ASP HA H 5.44 0.03 1 1367 163 ASP HB2 H 3.08 0.03 2 1368 163 ASP HB3 H 2.64 0.03 2 1369 163 ASP C C 180.18 0.20 1 1370 163 ASP CA C 52.01 0.20 1 1371 163 ASP CB C 43.73 0.20 1 1372 163 ASP N N 120.77 0.15 1 1373 164 TRP H H 8.13 0.03 1 1374 164 TRP HE1 H 10.02 0.03 1 1375 164 TRP C C 174.22 0.20 1 1376 164 TRP CA C 56.23 0.20 1 1377 164 TRP CB C 28.20 0.20 1 1378 164 TRP N N 114.47 0.15 1 1379 164 TRP NE1 N 128.76 0.15 1 1380 165 ASP H H 8.83 0.03 1 1381 165 ASP HA H 5.08 0.03 1 1382 165 ASP HB2 H 3.03 0.03 2 1383 165 ASP HB3 H 2.97 0.03 2 1384 165 ASP C C 177.20 0.20 1 1385 165 ASP CA C 55.13 0.20 1 1386 165 ASP CB C 42.05 0.20 1 1387 165 ASP N N 118.20 0.15 1 1388 166 GLY H H 8.75 0.03 1 1389 166 GLY HA2 H 4.21 0.03 2 1390 166 GLY HA3 H 3.88 0.03 2 1391 166 GLY CA C 45.25 0.20 1 1392 166 GLY N N 110.50 0.15 1 1393 167 GLU H H 8.38 0.03 1 1394 167 GLU HA H 4.60 0.03 1 1395 167 GLU HB2 H 2.13 0.03 2 1396 167 GLU HG2 H 2.28 0.03 2 1397 167 GLU C C 175.96 0.20 1 1398 167 GLU CA C 54.96 0.20 1 1400 167 GLU CG C 35.79 0.20 1 1401 167 GLU N N 120.54 0.15 1 1402 168 VAL H H 8.55 0.03 1 1403 168 VAL HA H 4.07 0.03 1 1404 168 VAL HB H 1.95 0.03 1 1405 168 VAL HG1 H 0.96 0.03 1 1406 168 VAL HG2 H 0.96 0.03 1 1407 168 VAL C C 176.97 0.20 1 1408 168 VAL CA C 63.15 0.20 1 1409 168 VAL CB C 32.68 0.20 1 1410 168 VAL CG1 C 22.12 0.20 1 1411 168 VAL CG2 C 21.32 0.20 1 1412 168 VAL N N 121.24 0.15 1 1413 169 ILE H H 8.86 0.03 1 1414 169 ILE HB H 1.58 0.03 1 1416 169 ILE CA C 61.46 0.20 1 1417 169 ILE CB C 39.85 0.20 1 1418 169 ILE CG1 C 27.71 0.20 1 1419 169 ILE CG2 C 17.15 0.20 1 1420 169 ILE CD1 C 10.91 0.20 1 1421 169 ILE N N 131.28 0.15 1 1422 170 THR H H 8.42 0.03 1 1423 170 THR HA H 4.72 0.03 1 1424 170 THR HB H 4.24 0.03 1 1425 170 THR HG2 H 1.17 0.03 1 1426 170 THR C C 175.43 0.20 1 1427 170 THR CA C 60.03 0.20 1 1428 170 THR CB C 71.17 0.20 1 1429 170 THR CG2 C 21.17 0.20 1 1431 171 GLY H H 8.38 0.03 1 1432 171 GLY HA2 H 4.08 0.03 2 1433 171 GLY HA3 H 3.71 0.03 2 1435 171 GLY CA C 46.60 0.20 1 1436 171 GLY N N 106.53 0.15 1 1437 172 TYR H H 6.57 0.03 1 1438 172 TYR HA H 4.79 0.03 1 1439 172 TYR HB2 H 2.65 0.03 2 1440 172 TYR HB3 H 2.44 0.03 2 1441 172 TYR HD1 H 6.59 0.03 3 1446 173 GLU H H 8.30 0.03 1 1447 173 GLU HA H 4.46 0.03 1 1448 173 GLU HB2 H 1.93 0.03 2 1449 173 GLU HG2 H 2.36 0.03 2 1450 173 GLU HG3 H 2.45 0.03 2 1453 173 GLU CG C 36.26 0.20 1 1455 174 VAL H H 8.49 0.03 1 1456 174 VAL HA H 4.39 0.03 1 1457 174 VAL HB H 2.00 0.03 1 1458 174 VAL HG1 H 0.80 0.03 2 1459 174 VAL HG2 H 0.73 0.03 2 1463 174 VAL CG1 C 21.49 0.20 1 1464 174 VAL CG2 C 21.49 0.20 1 1466 175 ILE H H 9.27 0.03 1 1467 175 ILE HA H 4.38 0.03 1 1468 175 ILE HB H 1.98 0.03 1 1469 175 ILE HG12 H 1.57 0.03 1 1470 175 ILE HG13 H 1.57 0.03 1 1471 175 ILE HG2 H 0.98 0.03 1 1472 175 ILE HD1 H 0.80 0.03 1 1476 175 ILE CG1 C 26.07 0.20 1 1477 175 ILE CG2 C 16.99 0.20 1 1478 175 ILE CD1 C 12.33 0.20 1 1480 176 GLN H H 8.37 0.03 1 1484 177 PRO HA H 4.90 0.03 1 1485 177 PRO HB2 H 2.54 0.03 2 1486 177 PRO HB3 H 2.27 0.03 2 1487 177 PRO HG2 H 1.97 0.03 2 1491 178 ASP H H 8.18 0.03 1 1492 178 ASP HA H 4.54 0.03 1 1493 178 ASP HB2 H 2.87 0.03 2 1494 178 ASP HB3 H 2.66 0.03 2 1499 179 VAL H H 8.36 0.03 1 1500 179 VAL HA H 3.77 0.03 1 1501 179 VAL HB H 1.91 0.03 1 1502 179 VAL HG1 H 1.00 0.03 2 1503 179 VAL HG2 H 0.87 0.03 2 1507 179 VAL CG1 C 22.17 0.20 1 1508 179 VAL CG2 C 20.40 0.20 1 1510 180 LEU H H 8.43 0.03 1 1511 180 LEU HA H 4.44 0.03 1 1512 180 LEU HB2 H 1.85 0.03 2 1513 180 LEU HB3 H 0.84 0.03 2 1514 180 LEU HG H 1.34 0.03 1 1515 180 LEU HD1 H 0.09 0.03 2 1516 180 LEU HD2 H 0.29 0.03 2 1520 180 LEU CG C 26.00 0.20 1 1521 180 LEU CD1 C 25.36 0.20 2 1522 180 LEU CD2 C 22.72 0.20 2 1524 181 SER H H 8.41 0.03 1 1525 181 SER HA H 4.67 0.03 1 1526 181 SER HB2 H 3.89 0.03 2 1527 181 SER HB3 H 3.83 0.03 2 1532 182 LEU H H 7.36 0.03 1 1533 182 LEU HA H 4.10 0.03 1 1534 182 LEU HB2 H 1.73 0.03 2 1535 182 LEU HB3 H 1.61 0.03 2 1536 182 LEU HG H 1.48 0.03 1 1537 182 LEU HD1 H 0.92 0.03 2 1538 182 LEU HD2 H 0.73 0.03 2 1542 182 LEU CG C 25.91 0.20 1 1543 182 LEU CD1 C 25.46 0.20 2 1544 182 LEU CD2 C 23.07 0.20 2 1546 183 GLY H H 8.03 0.03 1 1547 183 GLY HA2 H 4.08 0.03 2 1548 183 GLY HA3 H 3.77 0.03 2 1552 184 ASP H H 8.36 0.03 1 1553 184 ASP HA H 4.54 0.03 1 1554 184 ASP HB2 H 3.01 0.03 2 1555 184 ASP HB3 H 2.49 0.03 2 1560 185 GLU H H 8.18 0.03 1 1564 186 PRO HA H 4.40 0.03 1 1565 186 PRO HB2 H 2.19 0.03 2 1566 186 PRO HB3 H 1.98 0.03 2 1567 186 PRO HG2 H 1.92 0.03 2 1571 186 PRO CG C 27.02 0.20 1 1572 187 PHE H H 7.50 0.03 1 1573 187 PHE HA H 4.45 0.03 1 1574 187 PHE HB2 H 3.08 0.03 2 1575 187 PHE HB3 H 3.02 0.03 2 stop_ save_