data_4094 #Corrected using PDB structure: 2B8XA # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted #103 C CB 47.34 42.15 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.07 0.01 0.04 0.10 0.00 -0.00 # #bmr4094.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr4094.str file): #HA CA CB CO N HN #N/A +0.03 +0.03 +0.10 +0.00 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.02 +/-0.12 +/-0.13 +/-0.11 +/-0.27 +/-0.05 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.864 0.967 0.997 0.841 0.846 0.462 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.129 0.655 0.705 0.642 1.537 0.269 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, and 13CO Assignments of Human Interleukin-4 Using Three Dimensional Double- and Triple-Resonance Heteronuclear Magnetic Resonance Spectroscopy ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Powers Robert . . 2 Garrett Daniel S. . 3 March Carl J. . 4 Frieden Eric A. . 5 Gronenborn Angela M. . 6 Clore G. Marius . stop_ _BMRB_accession_number 4094 _BMRB_flat_file_name bmr4094.str _Entry_type new _Submission_date 1998-01-07 _Accession_date 1998-01-07 _Entry_origination BMRB _NMR_STAR_version 2.1 _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' 811 '13C chemical shifts' 605 '15N chemical shifts' 144 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Powers, R., Garrett, D. S., March, C. J., Frieden, E. A., Gronenborn A. M., and Clore G. M., "1H, 15N, and 13CO Assignments of Human Interleukin-4 Using Three Dimensional Double- and Triple-Resonance Heteronuclear Magnetic Resonance Spectroscopy," Biochemistry 31, 4334-4346 (1992). ; _Citation_title ; 1H, 15N, and 13CO Assignments of Human Interleukin-4 Using Three Dimensional Double- and Triple-Resonance Heteronuclear Magnetic Resonance Spectroscopy ; _Citation_status published _Citation_type journal _MEDLINE_UI_code 92232741 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Powers Robert . . 2 Garrett Daniel S. . 3 March Carl J. . 4 Frieden Eric A. . 5 Gronenborn Angela M. . 6 Clore G. Marius . stop_ _Journal_abbreviation Biochemistry _Journal_volume 31 _Page_first 4334 _Page_last 4346 _Year 1992 loop_ _Keyword 'Nuclear Magnetic resonance' 'Interleukin 4' 'Three- and four-dimensional heteronuclear NMR' 'cytokine family' stop_ save_ ################################## # Molecular system description # ################################## save_system_IL-4 _Saveframe_category molecular_system _Mol_system_name 'human Interleukin 4' _Abbreviation_common IL-4 loop_ _Mol_system_component_name _Mol_label IL-4 $IL-4 stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no loop_ _Biological_function 'IL-4 plays a major role in the immune and inflammatory systems' stop_ loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1ITI "Interleukin-4 Mutant With Four Additional Residues (Glu Ala Glu Ala) At The N-Terminus, Asn 42 Replaced By Asp, And Asn 109 Replaced By Asp (EAEA Added At N-Terminus, N42D, N109D)" . PDB 1BBN "Interleukin 4 (Nmr, Minimized Average Structure)" . PDB 1BCN "Interleukin 4 (Nmr, 22 Structures)" . PDB 1ITM "Interleukin 4 (Il-4) (Nmr, Minimized Average Structure)" . PDB 1ITL "Interleukin 4 (Il-4) Mutant With Additional Met At N-Terminus (Nmr, Energy-Minimized Structure)" . PDB 2CYK "Interleukin 4 (Nmr, Minimized Average Structure)" . PDB 1CYL "Interleukin 4 (Nmr, 20 Structures)" . PDB 1HIK "Interleukin-4 (Wild-Type)" . PDB 2INT Interleukin-4 . PDB 1IAR "A Chain A, Interleukin-4 RECEPTOR ALPHA CHAIN COMPLEX" . PDB 1RCB "Interleukin 4" . stop_ save_ ######################## # Monomeric polymers # ######################## save_IL-4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'human Interleukin 4' _Abbreviation_common IL-4 _Molecular_mass 15400 ############################## # Polymer residue sequence # ############################## _Residue_count 133 _Mol_residue_sequence ; EAEAHKCDITLQEIIKTLNS LTEQKTLCTELTVTDIFAAS KDTTEKETFCRAATVLRQFY SHHEKDTRCLGATAQQFHRH KQLIRFLKRLDRNLWGLAGL NSCPVKEADQSTLENFLERL KTIMREKYSKCSS ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 ALA 3 GLU 4 ALA 5 HIS 6 LYS 7 CYS 8 ASP 9 ILE 10 THR 11 LEU 12 GLN 13 GLU 14 ILE 15 ILE 16 LYS 17 THR 18 LEU 19 ASN 20 SER 21 LEU 22 THR 23 GLU 24 GLN 25 LYS 26 THR 27 LEU 28 CYS 29 THR 30 GLU 31 LEU 32 THR 33 VAL 34 THR 35 ASP 36 ILE 37 PHE 38 ALA 39 ALA 40 SER 41 LYS 42 ASP 43 THR 44 THR 45 GLU 46 LYS 47 GLU 48 THR 49 PHE 50 CYS 51 ARG 52 ALA 53 ALA 54 THR 55 VAL 56 LEU 57 ARG 58 GLN 59 PHE 60 TYR 61 SER 62 HIS 63 HIS 64 GLU 65 LYS 66 ASP 67 THR 68 ARG 69 CYS 70 LEU 71 GLY 72 ALA 73 THR 74 ALA 75 GLN 76 GLN 77 PHE 78 HIS 79 ARG 80 HIS 81 LYS 82 GLN 83 LEU 84 ILE 85 ARG 86 PHE 87 LEU 88 LYS 89 ARG 90 LEU 91 ASP 92 ARG 93 ASN 94 LEU 95 TRP 96 GLY 97 LEU 98 ALA 99 GLY 100 LEU 101 ASN 102 SER 103 CYS 104 PRO 105 VAL 106 LYS 107 GLU 108 ALA 109 ASP 110 GLN 111 SER 112 THR 113 LEU 114 GLU 115 ASN 116 PHE 117 LEU 118 GLU 119 ARG 120 LEU 121 LYS 122 THR 123 ILE 124 MET 125 ARG 126 GLU 127 LYS 128 TYR 129 SER 130 LYS 131 CYS 132 SER 133 SER stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-05-28 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 1CYL "Interleukin 4 (Nmr, 20 Structures)" 103.10 129 98 100 4e-69 PDB 1HIK "Interleukin-4 (Wild-Type)" 103.10 129 98 100 4e-69 PDB 1IAR "A Chain A, Interleukin-4 RECEPTOR ALPHA CHAINCOMPLEX" 103.10 129 98 100 4e-69 PDB 1RCB "Interleukin 4" 103.10 129 98 100 4e-69 PDB 2CYK "Interleukin 4 (Nmr, Minimized AverageStructure)" 103.10 129 98 100 4e-69 PDB 2INT Interleukin-4 103.10 129 98 100 4e-69 PDB 1HIJ "Interleukin-4 Mutant With Arg 88 ReplacedWith Gln (R88q)" 103.10 129 98 100 10e-69 PDB 1HZI "A Chain A, Interleukin-4 Mutant E9a" 103.10 129 98 99 2e-68 PDB 1ITL "Interleukin 4 (Il-4) Mutant With AdditionalMet At N-Terminus (Nmr, Energy-Minimized Structure)" 102.31 130 98 100 4e-69 PDB 1ITM "Interleukin 4 (Il-4) (Nmr, Minimized AverageStructure)" 102.31 130 98 100 4e-69 PDB 1BBN "Interleukin 4 (Nmr, Minimized AverageStructure)" 100.00 133 100 100 2e-72 PDB 1BCN "Interleukin 4 (Nmr, 22 Structures)" 100.00 133 100 100 2e-72 PDB 1ITI "The High Resolution Three-Dimensional SolutionStructure Of Human Interleukin-4 Determined ByMulti-Dimensional Heteronuclear Magnetic ResonanceSpectroscopy" 100.00 133 100 100 2e-72 EMBL CAA34682.1 "alpha mating factorprepropropeptide/interleukin 4 [synthetic construct]" 97.79 136 98 100 4e-69 GenBank AAA59149.1 "interleukin 4" 86.93 153 98 100 4e-69 GenBank AAA59150.1 "interleukin 4" 86.93 153 98 100 4e-69 GenBank AAH67514.1 "Interleukin 4, isoform 1 precursor [Homosapiens]" 86.93 153 98 100 4e-69 GenBank AAH70123.1 "Interleukin 4, isoform 1 precursor [Homosapiens]" 86.93 153 98 100 4e-69 GenBank AAK71324.1 "interleukin 4 [Homo sapiens]" 86.93 153 98 100 4e-69 PIR A25946 "interleukin-4 precursor - human" 86.93 153 98 100 4e-69 REF NP_000580.1 "interleukin 4 isoform 1 precursor;B_cell stimulatory factor 1; lymphocyte stimulatoryfactor 1 [Homo sapiens]" 86.93 153 98 100 4e-69 SWISS-PROT P05112 "IL4_HUMAN Interleukin-4 precursor (IL-4)(B-cell stimulatory factor 1) (BSF-1) (Lymphocytestimulatory factor 1)" 86.93 153 98 100 4e-69 SWISS-PROT Q8HYB1 "IL4_PANTR Interleukin-4 precursor (IL-4)(B-cell stimulatory factor 1) (BSF-1) (Lymphocytestimulatory factor 1)" 86.93 153 98 100 4e-69 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $IL-4 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $IL-4 'recombinant technology' yeast Saccharomyces cerevisiae XV2181 plasmid pIXY157 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $IL-4 2 mM '[U-95% 15N]' H2O 90 % . D2O 10 % . stop_ save_ save_sample_two _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $IL-4 2 mM '[U-95% 15N; U-95% 13C]' D2O 99.996 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AM600 _Field_strength 600 save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_units pH 5.7 n/a temperature 36 C stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 TSP H 1 0.00 ppm . . . 'liquid NH3' N 15 0.00 ppm . external . TSP C 13 0.00 ppm . . . 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_chemical_shift_assignment _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chem_shift_reference _Mol_system_component_name IL-4 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 1 GLU HA H 4.08 . 1 2 1 GLU HB2 H 2.15 . 1 3 1 GLU HB3 H 2.15 . 1 4 1 GLU HG2 H 2.42 . 1 5 1 GLU HG3 H 2.42 . 1 6 1 GLU C C 172.40 . 1 7 1 GLU CA C 55.43 . 1 8 1 GLU CB C 30.13 . 1 9 1 GLU CG C 34.03 . 1 10 2 ALA HA H 4.38 . 1 11 2 ALA HB H 1.42 . 1 12 2 ALA C C 177.30 . 1 13 2 ALA CA C 52.53 . 1 14 2 ALA CB C 18.63 . 1 15 2 ALA N N 125.50 . 1 16 3 GLU H H 8.47 . 1 17 3 GLU HA H 4.25 . 1 18 3 GLU HB2 H 2.01 . 2 19 3 GLU HB3 H 1.95 . 2 20 3 GLU HG2 H 2.29 . 1 21 3 GLU HG3 H 2.29 . 1 22 3 GLU C C 176.20 . 1 23 3 GLU CA C 56.53 . 1 24 3 GLU CB C 30.13 . 1 25 3 GLU CG C 36.13 . 1 26 3 GLU N N 120.70 . 1 27 4 ALA H H 8.27 . 1 28 4 ALA HA H 4.30 . 1 29 4 ALA HB H 1.33 . 1 30 4 ALA C C 177.50 . 1 31 4 ALA CA C 52.43 . 1 32 4 ALA CB C 19.13 . 1 33 4 ALA N N 124.80 . 1 34 5 HIS H H 8.41 . 1 35 5 HIS HA H 4.73 . 1 36 5 HIS HB2 H 3.31 . 2 37 5 HIS HB3 H 3.19 . 2 38 5 HIS HD2 H 7.29 . 1 39 5 HIS HE1 H 8.55 . 1 40 5 HIS C C 174.30 . 1 41 5 HIS CA C 55.03 . 1 42 5 HIS CB C 29.03 . 1 43 5 HIS CD2 C 120.03 . 1 44 5 HIS CE1 C 136.23 . 1 45 5 HIS N N 117.40 . 1 46 6 LYS H H 8.22 . 1 47 6 LYS HA H 4.48 . 1 48 6 LYS HB2 H 1.88 . 2 49 6 LYS HB3 H 1.78 . 2 50 6 LYS HG2 H 1.46 . 1 51 6 LYS HG3 H 1.46 . 1 52 6 LYS HE2 H 3.17 . 2 53 6 LYS HE3 H 2.67 . 2 54 6 LYS C C 176.60 . 1 55 6 LYS CA C 56.33 . 1 56 6 LYS CB C 33.23 . 1 57 6 LYS CG C 24.63 . 1 58 6 LYS CE C 40.83 . 1 59 6 LYS N N 121.60 . 1 60 7 CYS H H 8.58 . 1 61 7 CYS HA H 4.70 . 1 62 7 CYS HB2 H 2.98 . 1 63 7 CYS HB3 H 3.15 . 1 64 7 CYS C C 174.30 . 1 65 7 CYS CA C 54.93 . 1 66 7 CYS CB C 41.63 . 1 67 7 CYS N N 120.10 . 1 68 8 ASP H H 8.41 . 1 69 8 ASP HA H 4.62 . 1 70 8 ASP HB2 H 2.81 . 2 71 8 ASP HB3 H 2.69 . 2 72 8 ASP C C 177.40 . 1 73 8 ASP CA C 54.63 . 1 74 8 ASP CB C 42.43 . 1 75 8 ASP N N 123.00 . 1 76 9 ILE H H 8.43 . 1 77 9 ILE HA H 4.06 . 1 78 9 ILE HB H 1.99 . 1 79 9 ILE HG12 H 1.54 . 2 80 9 ILE HG13 H 1.37 . 2 81 9 ILE HG2 H 1.01 . 1 82 9 ILE HD1 H 0.92 . 1 83 9 ILE C C 177.30 . 1 84 9 ILE CA C 63.63 . 1 85 9 ILE CB C 38.13 . 1 86 9 ILE CG1 C 28.13 . 1 87 9 ILE CG2 C 17.63 . 1 88 9 ILE CD1 C 13.33 . 1 89 9 ILE N N 123.30 . 1 90 10 THR H H 8.31 . 1 91 10 THR HA H 3.99 . 1 92 10 THR HB H 4.12 . 1 93 10 THR HG2 H 1.24 . 1 94 10 THR C C 176.70 . 1 95 10 THR CA C 65.63 . 1 96 10 THR CB C 68.33 . 1 97 10 THR CG2 C 22.33 . 1 98 10 THR N N 117.10 . 1 99 11 LEU H H 7.76 . 1 100 11 LEU HA H 3.96 . 1 101 11 LEU HB2 H 1.68 . 1 102 11 LEU HB3 H 1.85 . 1 103 11 LEU HG H 1.74 . 1 104 11 LEU HD1 H 0.94 . 1 105 11 LEU HD2 H 0.85 . 1 106 11 LEU C C 178.50 . 1 107 11 LEU CA C 57.93 . 1 108 11 LEU CB C 41.73 . 1 109 11 LEU CG C 27.83 . 1 110 11 LEU CD1 C 25.23 . 1 111 11 LEU CD2 C 24.93 . 1 112 11 LEU N N 121.20 . 1 113 12 GLN H H 7.86 . 1 114 12 GLN HA H 3.74 . 1 115 12 GLN HB2 H 2.17 . 1 116 12 GLN HB3 H 2.17 . 1 117 12 GLN HG2 H 2.42 . 2 118 12 GLN HG3 H 2.27 . 2 119 12 GLN HE21 H 7.17 . 2 120 12 GLN HE22 H 6.83 . 2 121 12 GLN C C 178.50 . 1 122 12 GLN CA C 59.43 . 1 123 12 GLN CB C 28.53 . 1 124 12 GLN CG C 34.23 . 1 125 12 GLN N N 116.50 . 1 126 12 GLN NE2 N 111.10 . 1 127 13 GLU H H 7.96 . 1 128 13 GLU HA H 4.02 . 1 129 13 GLU HB2 H 2.06 . 1 130 13 GLU HB3 H 2.15 . 1 131 13 GLU HG2 H 2.32 . 2 132 13 GLU HG3 H 2.27 . 2 133 13 GLU C C 180.00 . 1 134 13 GLU CA C 59.13 . 1 135 13 GLU CB C 29.23 . 1 136 13 GLU CG C 35.93 . 1 137 13 GLU N N 118.90 . 1 138 14 ILE H H 8.12 . 1 139 14 ILE HA H 3.57 . 1 140 14 ILE HB H 2.01 . 1 141 14 ILE HG12 H 1.91 . 2 142 14 ILE HG13 H 0.79 . 2 143 14 ILE HG2 H 0.80 . 1 144 14 ILE HD1 H 0.67 . 1 145 14 ILE C C 177.30 . 1 146 14 ILE CA C 66.03 . 1 147 14 ILE CB C 37.83 . 1 148 14 ILE CG1 C 30.33 . 1 149 14 ILE CG2 C 17.13 . 1 150 14 ILE CD1 C 14.53 . 1 151 14 ILE N N 122.20 . 1 152 15 ILE H H 7.98 . 1 153 15 ILE HA H 3.46 . 1 154 15 ILE HB H 1.74 . 1 155 15 ILE HG12 H 1.35 . 2 156 15 ILE HG13 H 0.95 . 2 157 15 ILE HG2 H 0.71 . 1 158 15 ILE HD1 H 0.57 . 1 159 15 ILE C C 177.70 . 1 160 15 ILE CA C 65.13 . 1 161 15 ILE CB C 37.23 . 1 162 15 ILE CG1 C 29.53 . 1 163 15 ILE CG2 C 16.53 . 1 164 15 ILE CD1 C 12.23 . 1 165 15 ILE N N 120.20 . 1 166 16 LYS H H 8.03 . 1 167 16 LYS HA H 3.99 . 1 168 16 LYS HB2 H 1.88 . 1 169 16 LYS HB3 H 1.88 . 1 170 16 LYS HG2 H 1.57 . 2 171 16 LYS HG3 H 1.41 . 2 172 16 LYS HD2 H 1.66 . 1 173 16 LYS HD3 H 1.66 . 1 174 16 LYS HE2 H 2.91 . 1 175 16 LYS HE3 H 2.91 . 1 176 16 LYS C C 179.80 . 1 177 16 LYS CA C 59.93 . 1 178 16 LYS CB C 32.23 . 1 179 16 LYS CG C 25.13 . 1 180 16 LYS CD C 29.23 . 1 181 16 LYS CE C 41.82 . 1 182 16 LYS N N 119.40 . 1 183 17 THR H H 8.13 . 1 184 17 THR HA H 3.65 . 1 185 17 THR HB H 4.25 . 1 186 17 THR HG2 H 1.14 . 1 187 17 THR C C 176.30 . 1 188 17 THR CA C 67.13 . 1 189 17 THR CB C 67.93 . 1 190 17 THR CG2 C 22.63 . 1 191 17 THR N N 116.80 . 1 192 18 LEU H H 8.55 . 1 193 18 LEU HA H 4.00 . 1 194 18 LEU HB2 H 2.04 . 1 195 18 LEU HB3 H 1.19 . 1 196 18 LEU HG H 1.80 . 1 197 18 LEU HD1 H 0.71 . 1 198 18 LEU HD2 H 0.94 . 1 199 18 LEU C C 179.10 . 1 200 18 LEU CA C 58.33 . 1 201 18 LEU CB C 41.83 . 1 202 18 LEU CG C 27.23 . 1 203 18 LEU CD1 C 26.33 . 1 204 18 LEU CD2 C 24.63 . 1 205 18 LEU N N 121.50 . 1 206 19 ASN H H 8.45 . 1 207 19 ASN HA H 4.33 . 1 208 19 ASN HB2 H 2.94 . 1 209 19 ASN HB3 H 2.82 . 1 210 19 ASN HD21 H 7.48 . 2 211 19 ASN HD22 H 6.59 . 2 212 19 ASN C C 177.50 . 1 213 19 ASN CA C 55.73 . 1 214 19 ASN CB C 37.13 . 1 215 19 ASN N N 119.70 . 1 216 19 ASN ND2 N 110.20 . 1 217 20 SER H H 7.76 . 1 218 20 SER HA H 4.26 . 1 219 20 SER HB2 H 3.58 . 1 220 20 SER HB3 H 3.61 . 1 221 20 SER C C 176.50 . 1 222 20 SER CA C 61.83 . 1 223 20 SER CB C 62.93 . 1 224 20 SER N N 115.80 . 1 225 21 LEU H H 8.04 . 1 226 21 LEU HA H 4.07 . 1 227 21 LEU HB2 H 1.92 . 1 228 21 LEU HB3 H 1.51 . 1 229 21 LEU HG H 1.68 . 1 230 21 LEU HD1 H 0.86 . 1 231 21 LEU HD2 H 1.05 . 1 232 21 LEU C C 178.20 . 1 233 21 LEU CA C 57.23 . 1 234 21 LEU CB C 43.73 . 1 235 21 LEU CG C 27.53 . 1 236 21 LEU CD1 C 27.13 . 1 237 21 LEU CD2 C 25.43 . 1 238 21 LEU N N 120.30 . 1 239 22 THR H H 7.66 . 1 240 22 THR HA H 4.41 . 1 241 22 THR HB H 4.51 . 1 242 22 THR HG2 H 1.21 . 1 243 22 THR C C 175.30 . 1 244 22 THR CA C 62.73 . 1 245 22 THR CB C 69.23 . 1 246 22 THR CG2 C 21.83 . 1 247 22 THR N N 107.00 . 1 248 23 GLU H H 7.37 . 1 249 23 GLU HA H 4.28 . 1 250 23 GLU HB2 H 2.13 . 1 251 23 GLU HB3 H 2.13 . 1 252 23 GLU HG2 H 2.45 . 2 253 23 GLU HG3 H 2.36 . 2 254 23 GLU C C 176.40 . 1 255 23 GLU CA C 57.33 . 1 256 23 GLU CB C 30.03 . 1 257 23 GLU CG C 35.93 . 1 258 23 GLU N N 119.80 . 1 259 24 GLN H H 7.43 . 1 260 24 GLN HA H 4.53 . 1 261 24 GLN HB2 H 2.11 . 2 262 24 GLN HB3 H 1.99 . 2 263 24 GLN HG2 H 2.35 . 2 264 24 GLN HG3 H 2.29 . 2 265 24 GLN HE21 H 7.43 . 2 266 24 GLN HE22 H 6.58 . 2 267 24 GLN C C 174.60 . 1 268 24 GLN CA C 54.43 . 1 269 24 GLN CB C 29.83 . 1 270 24 GLN CG C 33.23 . 1 271 24 GLN N N 116.90 . 1 272 24 GLN NE2 N 110.60 . 1 273 25 LYS H H 8.14 . 1 274 25 LYS HA H 4.48 . 1 275 25 LYS HB2 H 1.77 . 1 276 25 LYS HB3 H 1.85 . 1 277 25 LYS HG2 H 1.38 . 1 278 25 LYS HG3 H 1.38 . 1 279 25 LYS HD2 H 1.67 . 1 280 25 LYS HD3 H 1.67 . 1 281 25 LYS HE2 H 3.00 . 1 282 25 LYS HE3 H 3.00 . 1 283 25 LYS C C 176.70 . 1 284 25 LYS CA C 56.33 . 1 285 25 LYS CB C 32.73 . 1 286 25 LYS CG C 24.63 . 1 287 25 LYS CD C 28.93 . 1 288 25 LYS CE C 41.83 . 1 289 25 LYS N N 122.60 . 1 290 26 THR H H 8.26 . 1 291 26 THR HA H 4.90 . 1 292 26 THR HB H 4.60 . 1 293 26 THR HG2 H 1.29 . 1 294 26 THR C C 175.20 . 1 295 26 THR CA C 59.73 . 1 296 26 THR CB C 71.63 . 1 297 26 THR CG2 C 21.93 . 1 298 26 THR N N 114.90 . 1 299 27 LEU H H 8.46 . 1 300 27 LEU HA H 4.28 . 1 301 27 LEU HB2 H 1.90 . 2 302 27 LEU HB3 H 1.69 . 2 303 27 LEU HG H 1.82 . 1 304 27 LEU HD1 H 0.97 . 1 305 27 LEU HD2 H 0.97 . 1 306 27 LEU C C 178.80 . 1 307 27 LEU CA C 57.63 . 1 308 27 LEU CB C 42.33 . 1 309 27 LEU CG C 27.43 . 1 310 27 LEU CD1 C 24.93 . 2 311 27 LEU CD2 C 23.63 . 2 312 27 LEU N N 121.40 . 1 313 28 CYS H H 8.42 . 1 314 28 CYS HA H 4.57 . 1 315 28 CYS HB2 H 3.63 . 1 316 28 CYS HB3 H 3.14 . 1 317 28 CYS C C 175.80 . 1 318 28 CYS CA C 57.33 . 1 319 28 CYS CB C 40.73 . 1 320 28 CYS N N 114.20 . 1 321 29 THR H H 7.76 . 1 322 29 THR HA H 4.24 . 1 323 29 THR HB H 4.51 . 1 324 29 THR HG2 H 1.35 . 1 325 29 THR C C 174.10 . 1 326 29 THR CA C 64.33 . 1 327 29 THR CB C 67.93 . 1 328 29 THR CG2 C 22.33 . 1 329 29 THR N N 107.70 . 1 330 30 GLU HA H 4.54 . 1 331 30 GLU HB2 H 2.29 . 2 332 30 GLU HB3 H 2.06 . 2 333 30 GLU HG2 H 2.44 . 2 334 30 GLU HG3 H 2.34 . 2 335 30 GLU C C 176.90 . 1 336 30 GLU CA C 55.93 . 1 337 30 GLU CB C 29.53 . 1 338 30 GLU CG C 35.93 . 1 339 30 GLU N N 117.40 . 1 340 31 LEU H H 7.05 . 1 341 31 LEU HA H 4.48 . 1 342 31 LEU HB2 H 2.05 . 1 343 31 LEU HB3 H 1.62 . 1 344 31 LEU HG H 1.84 . 1 345 31 LEU HD1 H 0.63 . 1 346 31 LEU HD2 H 0.86 . 1 347 31 LEU C C 176.60 . 1 348 31 LEU CA C 54.93 . 1 349 31 LEU CB C 41.13 . 1 350 31 LEU CG C 27.23 . 1 351 31 LEU CD1 C 25.23 . 1 352 31 LEU CD2 C 21.93 . 1 353 31 LEU N N 118.60 . 1 354 32 THR H H 7.77 . 1 355 32 THR HA H 5.09 . 1 356 32 THR HB H 4.22 . 1 357 32 THR HG2 H 1.12 . 1 358 32 THR C C 174.90 . 1 359 32 THR CA C 61.23 . 1 360 32 THR CB C 71.53 . 1 361 32 THR CG2 C 21.33 . 1 362 32 THR N N 107.50 . 1 363 33 VAL H H 8.98 . 1 364 33 VAL HA H 4.67 . 1 365 33 VAL HB H 1.89 . 1 366 33 VAL HG1 H 0.70 . 1 367 33 VAL HG2 H 0.28 . 1 368 33 VAL C C 174.60 . 1 369 33 VAL CA C 58.63 . 1 370 33 VAL CB C 35.93 . 1 371 33 VAL CG1 C 23.33 . 1 372 33 VAL CG2 C 18.43 . 1 373 33 VAL N N 113.30 . 1 374 34 THR H H 7.81 . 1 375 34 THR HA H 4.16 . 1 376 34 THR HB H 3.83 . 1 377 34 THR HG2 H 1.10 . 1 378 34 THR C C 173.30 . 1 379 34 THR CA C 64.13 . 1 380 34 THR CB C 69.23 . 1 381 34 THR CG2 C 22.63 . 1 382 34 THR N N 118.30 . 1 383 35 ASP H H 8.66 . 1 384 35 ASP HA H 4.72 . 1 385 35 ASP HB2 H 2.35 . 1 386 35 ASP HB3 H 2.85 . 1 387 35 ASP C C 177.50 . 1 388 35 ASP CA C 52.83 . 1 389 35 ASP CB C 39.93 . 1 390 35 ASP N N 123.80 . 1 391 36 ILE H H 7.02 . 1 392 36 ILE HA H 4.15 . 1 393 36 ILE HB H 1.96 . 1 394 36 ILE HG12 H 0.72 . 2 395 36 ILE HG13 H 0.48 . 2 396 36 ILE HG2 H 0.91 . 1 397 36 ILE HD1 H 0.34 . 1 398 36 ILE C C 176.50 . 1 399 36 ILE CA C 61.43 . 1 400 36 ILE CB C 37.63 . 1 401 36 ILE CG1 C 25.93 . 1 402 36 ILE CG2 C 21.63 . 1 403 36 ILE CD1 C 14.93 . 1 404 36 ILE N N 116.60 . 1 405 37 PHE H H 8.15 . 1 406 37 PHE HA H 4.48 . 1 407 37 PHE HB2 H 3.12 . 1 408 37 PHE HB3 H 3.25 . 1 409 37 PHE HD1 H 7.27 . 1 410 37 PHE HD2 H 7.27 . 1 411 37 PHE HE1 H 6.65 . 1 412 37 PHE HE2 H 6.65 . 1 413 37 PHE HZ H 6.55 . 1 414 37 PHE C C 177.00 . 1 415 37 PHE CA C 59.43 . 1 416 37 PHE CB C 37.93 . 1 417 37 PHE CD1 C 131.73 . 1 418 37 PHE CD2 C 131.73 . 1 419 37 PHE CE1 C 131.03 . 1 420 37 PHE CE2 C 131.03 . 1 421 37 PHE CZ C 127.93 . 1 422 37 PHE N N 119.90 . 1 423 38 ALA H H 7.46 . 1 424 38 ALA HA H 4.26 . 1 425 38 ALA HB H 1.44 . 1 426 38 ALA C C 177.90 . 1 427 38 ALA CA C 53.63 . 1 428 38 ALA CB C 18.33 . 1 429 38 ALA N N 123.70 . 1 430 39 ALA H H 7.68 . 1 431 39 ALA HA H 4.51 . 1 432 39 ALA HB H 1.38 . 1 433 39 ALA C C 177.60 . 1 434 39 ALA CA C 52.03 . 1 435 39 ALA CB C 19.03 . 1 436 39 ALA N N 120.30 . 1 437 40 SER H H 7.77 . 1 438 40 SER HA H 4.41 . 1 439 40 SER HB2 H 3.97 . 2 440 40 SER HB3 H 3.90 . 2 441 40 SER C C 175.20 . 1 442 40 SER CA C 58.63 . 1 443 40 SER CB C 63.63 . 1 444 40 SER N N 113.90 . 1 445 41 LYS H H 8.22 . 1 446 41 LYS HA H 4.33 . 1 447 41 LYS HB2 H 1.81 . 1 448 41 LYS HB3 H 1.81 . 1 449 41 LYS HG2 H 1.44 . 1 450 41 LYS HG3 H 1.44 . 1 451 41 LYS HD2 H 1.86 . 2 452 41 LYS HD3 H 1.70 . 2 453 41 LYS HE2 H 3.04 . 1 454 41 LYS HE3 H 3.04 . 1 455 41 LYS C C 176.40 . 1 456 41 LYS CA C 56.93 . 1 457 41 LYS CB C 32.43 . 1 458 41 LYS CG C 24.63 . 1 459 41 LYS CD C 28.73 . 1 460 41 LYS CE C 41.53 . 1 461 41 LYS N N 122.70 . 1 462 42 ASP H H 8.26 . 1 463 42 ASP HA H 4.68 . 1 464 42 ASP HB2 H 2.79 . 2 465 42 ASP HB3 H 2.61 . 2 466 42 ASP C C 175.90 . 1 467 42 ASP CA C 54.43 . 1 468 42 ASP CB C 40.73 . 1 469 42 ASP N N 119.30 . 1 470 43 THR H H 7.77 . 1 471 43 THR HA H 4.54 . 1 472 43 THR HB H 4.13 . 1 473 43 THR HG2 H 1.20 . 1 474 43 THR C C 174.70 . 1 475 43 THR CA C 61.43 . 1 476 43 THR CB C 70.13 . 1 477 43 THR CG2 C 21.13 . 1 478 43 THR N N 114.40 . 1 479 44 THR H H 8.36 . 1 480 44 THR HA H 4.53 . 1 481 44 THR HB H 4.59 . 1 482 44 THR HG2 H 1.34 . 1 483 44 THR C C 175.70 . 1 484 44 THR CA C 60.73 . 1 485 44 THR CB C 71.13 . 1 486 44 THR CG2 C 21.73 . 1 487 44 THR N N 114.40 . 1 488 45 GLU H H 8.72 . 1 489 45 GLU HA H 3.74 . 1 490 45 GLU HB2 H 1.86 . 1 491 45 GLU HB3 H 1.86 . 1 492 45 GLU HG2 H 1.94 . 2 493 45 GLU HG3 H 1.86 . 2 494 45 GLU C C 177.20 . 1 495 45 GLU CA C 59.53 . 1 496 45 GLU CB C 29.33 . 1 497 45 GLU CG C 36.73 . 1 498 45 GLU N N 122.70 . 1 499 46 LYS H H 7.98 . 1 500 46 LYS HA H 3.88 . 1 501 46 LYS HB2 H 1.85 . 1 502 46 LYS HB3 H 2.01 . 1 503 46 LYS HG2 H 1.72 . 2 504 46 LYS HG3 H 1.62 . 2 505 46 LYS HD2 H 1.85 . 1 506 46 LYS HD3 H 1.85 . 1 507 46 LYS HE2 H 3.12 . 1 508 46 LYS HE3 H 3.12 . 1 509 46 LYS C C 178.60 . 1 510 46 LYS CA C 60.53 . 1 511 46 LYS CB C 32.13 . 1 512 46 LYS CG C 26.03 . 1 513 46 LYS CD C 29.13 . 1 514 46 LYS CE C 41.83 . 1 515 46 LYS N N 116.10 . 1 516 47 GLU H H 7.53 . 1 517 47 GLU HA H 3.89 . 1 518 47 GLU HB2 H 2.20 . 1 519 47 GLU HB3 H 1.95 . 1 520 47 GLU HG2 H 2.24 . 1 521 47 GLU HG3 H 2.24 . 1 522 47 GLU C C 178.70 . 1 523 47 GLU CA C 59.83 . 1 524 47 GLU CB C 29.53 . 1 525 47 GLU CG C 37.23 . 1 526 47 GLU N N 117.70 . 1 527 48 THR H H 8.03 . 1 528 48 THR HA H 3.78 . 1 529 48 THR HB H 4.11 . 1 530 48 THR HG2 H 1.11 . 1 531 48 THR CA C 67.23 . 1 532 48 THR CB C 67.63 . 1 533 48 THR CG2 C 21.43 . 1 534 48 THR N N 117.90 . 1 535 49 PHE H H 8.30 . 1 536 49 PHE HA H 4.54 . 1 537 49 PHE HB2 H 3.20 . 1 538 49 PHE HB3 H 3.33 . 1 539 49 PHE HD1 H 6.93 . 1 540 49 PHE HD2 H 6.93 . 1 541 49 PHE HE1 H 7.25 . 1 542 49 PHE HE2 H 7.25 . 1 543 49 PHE HZ H 7.08 . 1 544 49 PHE C C 177.10 . 1 545 49 PHE CA C 58.53 . 1 546 49 PHE CB C 36.93 . 1 547 49 PHE CD1 C 129.83 . 1 548 49 PHE CD2 C 129.83 . 1 549 49 PHE CE1 C 131.13 . 1 550 49 PHE CE2 C 131.13 . 1 551 49 PHE CZ C 129.13 . 1 552 49 PHE N N 119.80 . 1 553 50 CYS H H 8.14 . 1 554 50 CYS HA H 4.02 . 1 555 50 CYS HB2 H 3.05 . 1 556 50 CYS HB3 H 3.31 . 1 557 50 CYS C C 177.80 . 1 558 50 CYS CA C 60.43 . 1 559 50 CYS CB C 40.73 . 1 560 50 CYS N N 119.20 . 1 561 51 ARG H H 9.01 . 1 562 51 ARG HA H 3.92 . 1 563 51 ARG HB2 H 1.70 . 1 564 51 ARG HB3 H 1.98 . 1 565 51 ARG HG2 H 2.10 . 1 566 51 ARG HG3 H 2.10 . 1 567 51 ARG HD2 H 3.24 . 2 568 51 ARG HD3 H 3.07 . 2 569 51 ARG C C 178.40 . 1 570 51 ARG CA C 60.13 . 1 571 51 ARG CB C 30.43 . 1 572 51 ARG CG C 28.63 . 1 573 51 ARG CD C 44.03 . 1 574 51 ARG N N 123.70 . 1 575 52 ALA H H 8.80 . 1 576 52 ALA HA H 4.25 . 1 577 52 ALA HB H 1.67 . 1 578 52 ALA C C 178.50 . 1 579 52 ALA CA C 55.33 . 1 580 52 ALA CB C 18.33 . 1 581 52 ALA N N 121.30 . 1 582 53 ALA H H 8.19 . 1 583 53 ALA HA H 4.04 . 1 584 53 ALA HB H 1.68 . 1 585 53 ALA C C 179.10 . 1 586 53 ALA CA C 55.73 . 1 587 53 ALA CB C 17.33 . 1 588 53 ALA N N 120.20 . 1 589 54 THR H H 8.18 . 1 590 54 THR HA H 3.85 . 1 591 54 THR HB H 4.58 . 1 592 54 THR HG2 H 1.30 . 1 593 54 THR C C 176.90 . 1 594 54 THR CA C 67.43 . 1 595 54 THR CB C 68.83 . 1 596 54 THR CG2 C 21.33 . 1 597 54 THR N N 113.80 . 1 598 55 VAL H H 8.24 . 1 599 55 VAL HA H 3.88 . 1 600 55 VAL HB H 2.26 . 1 601 55 VAL HG1 H 1.12 . 1 602 55 VAL HG2 H 0.82 . 1 603 55 VAL C C 179.20 . 1 604 55 VAL CA C 66.33 . 1 605 55 VAL CB C 31.63 . 1 606 55 VAL CG1 C 22.63 . 1 607 55 VAL CG2 C 21.63 . 1 608 55 VAL N N 120.50 . 1 609 56 LEU H H 8.15 . 1 610 56 LEU HA H 4.04 . 1 611 56 LEU HB2 H 2.27 . 1 612 56 LEU HB3 H 1.47 . 1 613 56 LEU HG H 2.20 . 1 614 56 LEU HD1 H 0.97 . 1 615 56 LEU HD2 H 0.85 . 1 616 56 LEU C C 177.50 . 1 617 56 LEU CA C 58.13 . 1 618 56 LEU CB C 41.53 . 1 619 56 LEU CG C 26.33 . 1 620 56 LEU CD1 C 26.63 . 1 621 56 LEU CD2 C 23.53 . 1 622 56 LEU N N 121.00 . 1 623 57 ARG H H 8.32 . 1 624 57 ARG HA H 3.17 . 1 625 57 ARG HB2 H 2.11 . 2 626 57 ARG HB3 H 1.80 . 2 627 57 ARG HG2 H 1.53 . 2 628 57 ARG HG3 H 1.34 . 2 629 57 ARG HD2 H 3.25 . 2 630 57 ARG HD3 H 3.07 . 2 631 57 ARG C C 180.00 . 1 632 57 ARG CA C 58.43 . 1 633 57 ARG CB C 29.83 . 1 634 57 ARG CG C 25.63 . 1 635 57 ARG CD C 44.03 . 1 636 57 ARG N N 120.20 . 1 637 58 GLN H H 8.09 . 1 638 58 GLN HA H 3.87 . 1 639 58 GLN HB2 H 2.11 . 1 640 58 GLN HB3 H 2.33 . 1 641 58 GLN HG2 H 2.33 . 2 642 58 GLN HG3 H 2.11 . 2 643 58 GLN HE21 H 7.25 . 2 644 58 GLN HE22 H 6.76 . 2 645 58 GLN C C 178.10 . 1 646 58 GLN CA C 58.83 . 1 647 58 GLN CB C 27.93 . 1 648 58 GLN CG C 33.63 . 1 649 58 GLN N N 120.60 . 1 650 58 GLN NE2 N 110.20 . 1 651 59 PHE H H 8.04 . 1 652 59 PHE HA H 4.37 . 1 653 59 PHE HB2 H 3.19 . 1 654 59 PHE HB3 H 3.49 . 1 655 59 PHE HD1 H 7.15 . 1 656 59 PHE HD2 H 7.15 . 1 657 59 PHE HE1 H 6.99 . 1 658 59 PHE HE2 H 6.99 . 1 659 59 PHE HZ H 7.35 . 1 660 59 PHE C C 179.20 . 1 661 59 PHE CA C 62.73 . 1 662 59 PHE CB C 38.73 . 1 663 59 PHE CD1 C 132.13 . 1 664 59 PHE CD2 C 132.13 . 1 665 59 PHE CE1 C 131.03 . 1 666 59 PHE CE2 C 131.03 . 1 667 59 PHE CZ C 118.73 . 1 668 59 PHE N N 119.20 . 1 669 60 TYR H H 9.24 . 1 670 60 TYR HA H 4.31 . 1 671 60 TYR HB2 H 2.95 . 1 672 60 TYR HB3 H 3.51 . 1 673 60 TYR HD1 H 6.98 . 1 674 60 TYR HD2 H 6.98 . 1 675 60 TYR HE1 H 6.86 . 1 676 60 TYR HE2 H 6.86 . 1 677 60 TYR C C 177.70 . 1 678 60 TYR CA C 60.83 . 1 679 60 TYR CB C 37.73 . 1 680 60 TYR CD1 C 135.03 . 1 681 60 TYR CD2 C 135.03 . 1 682 60 TYR CE1 C 118.33 . 1 683 60 TYR CE2 C 118.33 . 1 684 60 TYR N N 117.10 . 1 685 61 SER H H 7.97 . 1 686 61 SER HA H 4.46 . 1 687 61 SER HB2 H 3.84 . 1 688 61 SER HB3 H 3.77 . 1 689 61 SER C C 176.20 . 1 690 61 SER CA C 61.53 . 1 691 61 SER CB C 62.53 . 1 692 61 SER N N 118.90 . 1 693 62 HIS H H 7.55 . 1 694 62 HIS HA H 4.61 . 1 695 62 HIS HB2 H 2.81 . 2 696 62 HIS HB3 H 2.72 . 2 697 62 HIS HD2 H 7.10 . 1 698 62 HIS HE1 H 8.41 . 1 699 62 HIS C C 176.50 . 1 700 62 HIS CA C 56.53 . 1 701 62 HIS CB C 29.53 . 1 702 62 HIS CD2 C 119.33 . 1 703 62 HIS CE1 C 136.23 . 1 704 62 HIS N N 117.40 . 1 705 63 HIS H H 7.92 . 1 706 63 HIS HA H 5.08 . 1 707 63 HIS HB2 H 2.29 . 1 708 63 HIS HB3 H 3.47 . 1 709 63 HIS HD2 H 6.07 . 1 710 63 HIS HE1 H 8.50 . 1 711 63 HIS C C 175.20 . 1 712 63 HIS CA C 55.33 . 1 713 63 HIS CB C 28.53 . 1 714 63 HIS CD2 C 122.23 . 1 715 63 HIS CE1 C 137.53 . 1 716 63 HIS N N 111.40 . 1 717 64 GLU H H 8.09 . 1 718 64 GLU HA H 4.00 . 1 719 64 GLU HB2 H 2.60 . 2 720 64 GLU HB3 H 2.15 . 2 721 64 GLU HG2 H 2.30 . 1 722 64 GLU HG3 H 2.30 . 1 723 64 GLU C C 177.00 . 1 724 64 GLU CA C 61.23 . 1 725 64 GLU CB C 28.83 . 1 726 64 GLU CG C 36.03 . 1 727 64 GLU N N 124.30 . 1 728 65 LYS H H 8.59 . 1 729 65 LYS HA H 4.54 . 1 730 65 LYS HB2 H 2.12 . 2 731 65 LYS HB3 H 1.63 . 2 732 65 LYS HG2 H 1.37 . 1 733 65 LYS HG3 H 1.37 . 1 734 65 LYS HD2 H 1.73 . 1 735 65 LYS HD3 H 1.73 . 1 736 65 LYS HE2 H 3.00 . 1 737 65 LYS HE3 H 3.00 . 1 738 65 LYS C C 175.00 . 1 739 65 LYS CA C 54.33 . 1 740 65 LYS CB C 31.53 . 1 741 65 LYS CG C 25.13 . 1 742 65 LYS CD C 29.13 . 1 743 65 LYS CE C 41.83 . 1 744 65 LYS N N 116.30 . 1 745 66 ASP H H 6.61 . 1 746 66 ASP HA H 4.64 . 1 747 66 ASP HB2 H 2.73 . 1 748 66 ASP HB3 H 3.02 . 1 749 66 ASP C C 177.80 . 1 750 66 ASP CA C 53.43 . 1 751 66 ASP CB C 42.43 . 1 752 66 ASP N N 119.20 . 1 753 67 THR H H 8.80 . 1 754 67 THR HA H 3.93 . 1 755 67 THR HB H 4.30 . 1 756 67 THR HG2 H 1.37 . 1 757 67 THR C C 176.80 . 1 758 67 THR CA C 65.33 . 1 759 67 THR CB C 68.53 . 1 760 67 THR CG2 C 21.93 . 1 761 67 THR N N 122.50 . 1 762 68 ARG H H 8.50 . 1 763 68 ARG HA H 4.13 . 1 764 68 ARG HB2 H 1.89 . 1 765 68 ARG HB3 H 1.89 . 1 766 68 ARG HG2 H 1.75 . 2 767 68 ARG HG3 H 1.73 . 2 768 68 ARG HD2 H 3.31 . 2 769 68 ARG HD3 H 3.22 . 2 770 68 ARG C C 177.70 . 1 771 68 ARG CA C 58.53 . 1 772 68 ARG CB C 29.93 . 1 773 68 ARG CG C 26.93 . 1 774 68 ARG CD C 43.33 . 1 775 68 ARG N N 121.50 . 1 776 69 CYS H H 7.46 . 1 777 69 CYS HA H 4.40 . 1 778 69 CYS HB2 H 3.11 . 1 779 69 CYS HB3 H 3.11 . 1 780 69 CYS C C 174.70 . 1 781 69 CYS CA C 56.53 . 1 782 69 CYS N N 113.30 . 1 783 70 LEU H H 7.37 . 1 784 70 LEU HA H 3.79 . 1 785 70 LEU HB2 H 1.49 . 1 786 70 LEU HB3 H 1.65 . 1 787 70 LEU HG H 1.49 . 1 788 70 LEU HD1 H 0.76 . 1 789 70 LEU HD2 H 0.76 . 1 790 70 LEU C C 176.40 . 1 791 70 LEU CA C 57.23 . 1 792 70 LEU CB C 42.63 . 1 793 70 LEU CG C 26.83 . 1 794 70 LEU CD1 C 25.13 . 1 795 70 LEU CD2 C 23.93 . 1 796 70 LEU N N 119.20 . 1 797 71 GLY H H 7.09 . 1 798 71 GLY HA2 H 3.98 . 2 799 71 GLY HA3 H 3.72 . 2 800 71 GLY C C 173.90 . 1 801 71 GLY CA C 45.23 . 1 802 71 GLY N N 99.10 . 1 803 72 ALA H H 8.40 . 1 804 72 ALA HA H 4.75 . 1 805 72 ALA HB H 1.48 . 1 806 72 ALA C C 177.80 . 1 807 72 ALA CA C 52.13 . 1 808 72 ALA CB C 21.23 . 1 809 72 ALA N N 120.70 . 1 810 73 THR H H 7.58 . 1 811 73 THR HA H 4.75 . 1 812 73 THR HB H 4.70 . 1 813 73 THR HG2 H 1.28 . 1 814 73 THR C C 174.90 . 1 815 73 THR CA C 58.83 . 1 816 73 THR CB C 72.43 . 1 817 73 THR CG2 C 21.43 . 1 818 73 THR N N 107.10 . 1 819 74 ALA H H 7.87 . 1 820 74 ALA HA H 4.17 . 1 821 74 ALA HB H 1.50 . 1 822 74 ALA C C 180.30 . 1 823 74 ALA CA C 55.03 . 1 824 74 ALA CB C 17.83 . 1 825 74 ALA N N 124.60 . 1 826 75 GLN H H 8.52 . 1 827 75 GLN HA H 4.26 . 1 828 75 GLN HB2 H 2.20 . 1 829 75 GLN HB3 H 2.10 . 1 830 75 GLN HG2 H 2.51 . 1 831 75 GLN HG3 H 2.51 . 1 832 75 GLN HE21 H 7.53 . 2 833 75 GLN HE22 H 6.93 . 2 834 75 GLN C C 179.00 . 1 835 75 GLN CA C 59.33 . 1 836 75 GLN CB C 28.33 . 1 837 75 GLN CG C 34.13 . 1 838 75 GLN N N 117.00 . 1 839 75 GLN NE2 N 111.60 . 1 840 76 GLN H H 7.81 . 1 841 76 GLN HA H 4.17 . 1 842 76 GLN HB2 H 2.35 . 1 843 76 GLN HB3 H 2.35 . 1 844 76 GLN HG2 H 2.55 . 1 845 76 GLN HG3 H 2.55 . 1 846 76 GLN HE21 H 7.56 . 2 847 76 GLN HE22 H 7.07 . 2 848 76 GLN C C 178.80 . 1 849 76 GLN CA C 59.13 . 1 850 76 GLN CB C 28.43 . 1 851 76 GLN CG C 34.63 . 1 852 76 GLN N N 119.50 . 1 853 76 GLN NE2 N 112.50 . 1 854 77 PHE H H 8.42 . 1 855 77 PHE HA H 4.61 . 1 856 77 PHE HB2 H 3.51 . 1 857 77 PHE HB3 H 3.29 . 1 858 77 PHE HD1 H 7.20 . 1 859 77 PHE HD2 H 7.20 . 1 860 77 PHE HE1 H 7.37 . 1 861 77 PHE HE2 H 7.37 . 1 862 77 PHE HZ H 7.32 . 1 863 77 PHE C C 178.20 . 1 864 77 PHE CA C 60.43 . 1 865 77 PHE CB C 38.53 . 1 866 77 PHE CD1 C 128.53 . 1 867 77 PHE CD2 C 128.53 . 1 868 77 PHE N N 123.00 . 1 869 78 HIS H H 8.45 . 1 870 78 HIS HA H 4.30 . 1 871 78 HIS HB2 H 3.36 . 1 872 78 HIS HB3 H 3.36 . 1 873 78 HIS HD2 H 7.18 . 1 874 78 HIS HE1 H 8.14 . 1 875 78 HIS C C 178.00 . 1 876 78 HIS CA C 59.63 . 1 877 78 HIS CB C 29.63 . 1 878 78 HIS CD2 C 119.63 . 1 879 78 HIS CE1 C 137.83 . 1 880 78 HIS N N 117.70 . 1 881 79 ARG H H 8.19 . 1 882 79 ARG HA H 4.09 . 1 883 79 ARG HB2 H 2.12 . 1 884 79 ARG HB3 H 2.12 . 1 885 79 ARG HG2 H 2.03 . 2 886 79 ARG HG3 H 1.82 . 2 887 79 ARG HD2 H 3.31 . 1 888 79 ARG HD3 H 3.31 . 1 889 79 ARG C C 179.30 . 1 890 79 ARG CA C 59.53 . 1 891 79 ARG CG C 27.93 . 1 892 79 ARG CD C 43.63 . 1 893 79 ARG N N 118.80 . 1 894 80 HIS H H 8.31 . 1 895 80 HIS HA H 4.64 . 1 896 80 HIS HB2 H 3.35 . 1 897 80 HIS HB3 H 3.24 . 1 898 80 HIS HD2 H 6.93 . 1 899 80 HIS HE1 H 7.72 . 1 900 80 HIS C C 176.90 . 1 901 80 HIS CA C 59.83 . 1 902 80 HIS CB C 30.73 . 1 903 80 HIS CD2 C 117.73 . 1 904 80 HIS CE1 C 137.53 . 1 905 80 HIS N N 120.50 . 1 906 81 LYS H H 8.13 . 1 907 81 LYS HA H 3.68 . 1 908 81 LYS HB2 H 1.86 . 1 909 81 LYS HB3 H 1.70 . 1 910 81 LYS HG2 H 1.42 . 2 911 81 LYS HG3 H 1.26 . 2 912 81 LYS HD2 H 1.56 . 1 913 81 LYS HD3 H 1.56 . 1 914 81 LYS HE2 H 2.85 . 2 915 81 LYS HE3 H 2.74 . 2 916 81 LYS C C 180.00 . 1 917 81 LYS CA C 59.43 . 1 918 81 LYS CB C 31.43 . 1 919 81 LYS CG C 24.83 . 1 920 81 LYS CD C 28.73 . 1 921 81 LYS CE C 41.73 . 1 922 81 LYS N N 117.30 . 1 923 82 GLN H H 7.91 . 1 924 82 GLN HA H 3.79 . 1 925 82 GLN HB2 H 2.01 . 2 926 82 GLN HB3 H 1.93 . 2 927 82 GLN HG2 H 1.98 . 1 928 82 GLN HG3 H 1.98 . 1 929 82 GLN HE21 H 7.07 . 2 930 82 GLN HE22 H 6.81 . 2 931 82 GLN C C 176.70 . 1 932 82 GLN CA C 58.53 . 1 933 82 GLN CB C 28.73 . 1 934 82 GLN CG C 33.93 . 1 935 82 GLN N N 118.30 . 1 936 82 GLN NE2 N 111.80 . 1 937 83 LEU H H 7.92 . 1 938 83 LEU HA H 4.08 . 1 939 83 LEU HB2 H 1.76 . 1 940 83 LEU HB3 H 2.23 . 1 941 83 LEU HG H 1.53 . 1 942 83 LEU HD1 H 1.02 . 1 943 83 LEU HD2 H 0.94 . 1 944 83 LEU C C 178.60 . 1 945 83 LEU CA C 58.93 . 1 946 83 LEU CB C 40.83 . 1 947 83 LEU CG C 27.53 . 1 948 83 LEU CD1 C 25.73 . 1 949 83 LEU CD2 C 24.23 . 1 950 83 LEU N N 121.50 . 1 951 84 ILE H H 8.10 . 1 952 84 ILE HA H 3.60 . 1 953 84 ILE HB H 2.09 . 1 954 84 ILE HG12 H 1.40 . 2 955 84 ILE HG13 H 1.08 . 2 956 84 ILE HG2 H 0.79 . 1 957 84 ILE HD1 H 0.74 . 1 958 84 ILE C C 177.50 . 1 959 84 ILE CA C 62.03 . 1 960 84 ILE CB C 34.53 . 1 961 84 ILE CG2 C 17.53 . 1 962 84 ILE CD1 C 8.03 . 1 963 84 ILE N N 116.40 . 1 964 85 ARG H H 7.84 . 1 965 85 ARG HA H 3.82 . 1 966 85 ARG HB2 H 1.80 . 1 967 85 ARG HB3 H 1.80 . 1 968 85 ARG HG2 H 1.68 . 2 969 85 ARG HG3 H 1.41 . 2 970 85 ARG HD2 H 3.09 . 1 971 85 ARG HD3 H 3.09 . 1 972 85 ARG C C 179.90 . 1 973 85 ARG CA C 59.93 . 1 974 85 ARG CB C 29.83 . 1 975 85 ARG CG C 27.43 . 1 976 85 ARG CD C 43.53 . 1 977 85 ARG N N 119.20 . 1 978 86 PHE H H 8.50 . 1 979 86 PHE HA H 4.50 . 1 980 86 PHE HB2 H 3.45 . 1 981 86 PHE HB3 H 3.01 . 1 982 86 PHE HD1 H 7.20 . 1 983 86 PHE HD2 H 7.20 . 1 984 86 PHE HE1 H 7.37 . 1 985 86 PHE HE2 H 7.37 . 1 986 86 PHE HZ H 7.35 . 1 987 86 PHE C C 178.40 . 1 988 86 PHE CA C 59.53 . 1 989 86 PHE CB C 38.13 . 1 990 86 PHE CD1 C 130.83 . 1 991 86 PHE CD2 C 130.83 . 1 992 86 PHE CE1 C 131.73 . 1 993 86 PHE CE2 C 131.73 . 1 994 86 PHE CZ C 130.03 . 1 995 86 PHE N N 118.80 . 1 996 87 LEU H H 8.79 . 1 997 87 LEU HA H 4.16 . 1 998 87 LEU HB2 H 2.29 . 1 999 87 LEU HB3 H 1.62 . 1 1000 87 LEU HG H 2.37 . 1 1001 87 LEU HD1 H 1.10 . 1 1002 87 LEU HD2 H 1.02 . 1 1003 87 LEU C C 179.10 . 1 1004 87 LEU CA C 58.43 . 1 1005 87 LEU CB C 42.63 . 1 1006 87 LEU CG C 26.33 . 1 1007 87 LEU CD1 C 27.53 . 1 1008 87 LEU CD2 C 23.53 . 1 1009 87 LEU N N 120.10 . 1 1010 88 LYS H H 8.18 . 1 1011 88 LYS HA H 3.84 . 1 1012 88 LYS HB2 H 1.63 . 1 1013 88 LYS HB3 H 1.63 . 1 1014 88 LYS HG2 H 0.80 . 2 1015 88 LYS HG3 H 0.18 . 2 1016 88 LYS HD2 H 1.38 . 2 1017 88 LYS HD3 H 1.31 . 2 1018 88 LYS HE2 H 2.62 . 2 1019 88 LYS HE3 H 2.36 . 2 1020 88 LYS C C 179.40 . 1 1021 88 LYS CA C 60.23 . 1 1022 88 LYS CB C 32.33 . 1 1023 88 LYS CG C 25.23 . 1 1024 88 LYS CD C 29.53 . 1 1025 88 LYS CE C 41.83 . 1 1026 88 LYS N N 118.80 . 1 1027 89 ARG H H 7.64 . 1 1028 89 ARG HA H 4.06 . 1 1029 89 ARG HB2 H 2.03 . 1 1030 89 ARG HB3 H 2.03 . 1 1031 89 ARG HG2 H 1.80 . 2 1032 89 ARG HG3 H 1.67 . 2 1033 89 ARG HD2 H 3.17 . 1 1034 89 ARG HD3 H 3.17 . 1 1035 89 ARG C C 178.50 . 1 1036 89 ARG CA C 58.93 . 1 1037 89 ARG CB C 30.33 . 1 1038 89 ARG CG C 26.73 . 1 1039 89 ARG CD C 43.63 . 1 1040 89 ARG N N 120.30 . 1 1041 90 LEU H H 8.51 . 1 1042 90 LEU HA H 4.14 . 1 1043 90 LEU HB2 H 1.84 . 1 1044 90 LEU HB3 H 1.75 . 1 1045 90 LEU HG H 1.72 . 1 1046 90 LEU HD1 H 0.89 . 2 1047 90 LEU HD2 H 0.84 . 2 1048 90 LEU C C 177.90 . 1 1049 90 LEU CA C 58.03 . 1 1050 90 LEU CB C 42.23 . 1 1051 90 LEU CG C 26.53 . 1 1052 90 LEU CD1 C 26.83 . 2 1053 90 LEU CD2 C 24.93 . 2 1054 90 LEU N N 120.20 . 1 1055 91 ASP H H 8.35 . 1 1056 91 ASP HA H 4.33 . 1 1057 91 ASP HB2 H 3.33 . 2 1058 91 ASP HB3 H 3.19 . 2 1059 91 ASP C C 175.80 . 1 1060 91 ASP CA C 57.63 . 1 1061 91 ASP CB C 41.83 . 1 1062 91 ASP N N 117.30 . 1 1063 92 ARG H H 7.57 . 1 1064 92 ARG HA H 4.10 . 1 1065 92 ARG HB2 H 1.99 . 1 1066 92 ARG HB3 H 2.03 . 1 1067 92 ARG HG2 H 1.81 . 2 1068 92 ARG HG3 H 1.78 . 2 1069 92 ARG HD2 H 3.24 . 1 1070 92 ARG HD3 H 3.24 . 1 1071 92 ARG C C 180.00 . 1 1072 92 ARG CA C 59.33 . 1 1073 92 ARG CB C 29.73 . 1 1074 92 ARG CG C 27.23 . 1 1075 92 ARG CD C 43.13 . 1 1076 92 ARG N N 114.90 . 1 1077 93 ASN H H 8.24 . 1 1078 93 ASN HA H 4.62 . 1 1079 93 ASN HB2 H 2.75 . 1 1080 93 ASN HB3 H 2.49 . 1 1081 93 ASN HD21 H 7.21 . 2 1082 93 ASN HD22 H 6.85 . 2 1083 93 ASN C C 177.60 . 1 1084 93 ASN CA C 56.23 . 1 1085 93 ASN CB C 39.53 . 1 1086 93 ASN N N 116.80 . 1 1087 93 ASN ND2 N 112.50 . 1 1088 94 LEU H H 8.83 . 1 1089 94 LEU HA H 3.88 . 1 1090 94 LEU HB2 H 2.19 . 1 1091 94 LEU HB3 H 1.63 . 1 1092 94 LEU HG H 1.79 . 1 1093 94 LEU HD1 H 0.88 . 1 1094 94 LEU HD2 H 0.69 . 1 1095 94 LEU C C 178.50 . 1 1096 94 LEU CA C 58.33 . 1 1097 94 LEU CB C 42.43 . 1 1098 94 LEU CG C 27.33 . 1 1099 94 LEU CD1 C 26.43 . 1 1100 94 LEU CD2 C 23.53 . 1 1101 94 LEU N N 121.80 . 1 1102 95 TRP H H 9.15 . 1 1103 95 TRP HA H 4.29 . 1 1104 95 TRP HB2 H 3.43 . 2 1105 95 TRP HB3 H 3.39 . 2 1106 95 TRP HD1 H 7.28 . 1 1107 95 TRP HE1 H 9.97 . 1 1108 95 TRP HE3 H 7.60 . 1 1109 95 TRP HZ2 H 7.44 . 3 1110 95 TRP HZ3 H 7.27 . 3 1111 95 TRP HH2 H 7.20 . 1 1112 95 TRP C C 180.30 . 1 1113 95 TRP CA C 60.53 . 1 1114 95 TRP CB C 29.13 . 1 1115 95 TRP CD1 C 127.53 . 1 1116 95 TRP CE3 C 120.23 . 1 1117 95 TRP CZ2 C 114.93 . 1 1118 95 TRP CZ3 C 123.03 . 1 1119 95 TRP CH2 C 124.83 . 1 1120 95 TRP N N 119.20 . 1 1121 95 TRP NE1 N 129.30 . 1 1122 96 GLY H H 8.06 . 1 1123 96 GLY HA2 H 4.03 . 2 1124 96 GLY HA3 H 3.85 . 2 1125 96 GLY C C 175.90 . 1 1126 96 GLY CA C 46.63 . 1 1127 96 GLY N N 105.70 . 1 1128 97 LEU H H 7.69 . 1 1129 97 LEU HA H 4.20 . 1 1130 97 LEU HB2 H 1.58 . 1 1131 97 LEU HB3 H 1.65 . 1 1132 97 LEU HG H 1.67 . 1 1133 97 LEU HD1 H 0.58 . 1 1134 97 LEU HD2 H 0.58 . 1 1135 97 LEU C C 178.70 . 1 1136 97 LEU CA C 56.63 . 1 1137 97 LEU CB C 42.73 . 1 1138 97 LEU CG C 26.53 . 1 1139 97 LEU CD1 C 24.23 . 1 1140 97 LEU CD2 C 24.83 . 1 1141 97 LEU N N 121.20 . 1 1142 98 ALA H H 7.95 . 1 1143 98 ALA HA H 4.26 . 1 1144 98 ALA HB H 1.61 . 1 1145 98 ALA C C 178.10 . 1 1146 98 ALA CA C 54.13 . 1 1147 98 ALA CB C 20.13 . 1 1148 98 ALA N N 119.60 . 1 1149 99 GLY H H 7.57 . 1 1150 99 GLY HA2 H 3.82 . 2 1151 99 GLY HA3 H 3.70 . 2 1152 99 GLY C C 174.10 . 1 1153 99 GLY CA C 46.23 . 1 1154 99 GLY N N 101.70 . 1 1155 100 LEU H H 7.54 . 1 1156 100 LEU HA H 4.41 . 1 1157 100 LEU HB2 H 1.45 . 1 1158 100 LEU HB3 H 1.45 . 1 1159 100 LEU HG H 1.49 . 1 1160 100 LEU HD1 H 0.85 . 1 1161 100 LEU HD2 H 0.85 . 1 1162 100 LEU C C 176.20 . 1 1163 100 LEU CA C 53.63 . 1 1164 100 LEU CB C 44.23 . 1 1165 100 LEU CG C 26.83 . 1 1166 100 LEU CD1 C 24.83 . 2 1167 100 LEU CD2 C 23.43 . 2 1168 100 LEU N N 118.40 . 1 1169 101 ASN H H 8.43 . 1 1170 101 ASN HA H 4.88 . 1 1171 101 ASN HB2 H 2.74 . 1 1172 101 ASN HB3 H 2.74 . 1 1173 101 ASN HD21 H 7.21 . 2 1174 101 ASN HD22 H 6.95 . 2 1175 101 ASN C C 175.30 . 1 1176 101 ASN CA C 53.73 . 1 1177 101 ASN CB C 39.63 . 1 1178 101 ASN N N 116.90 . 1 1179 101 ASN ND2 N 108.50 . 1 1180 102 SER H H 7.50 . 1 1181 102 SER HA H 4.67 . 1 1182 102 SER HB2 H 3.83 . 1 1183 102 SER HB3 H 3.83 . 1 1184 102 SER C C 173.20 . 1 1185 102 SER CA C 57.43 . 1 1186 102 SER CB C 63.83 . 1 1187 102 SER N N 111.80 . 1 1188 103 CYS H H 8.92 . 1 1189 103 CYS HA H 5.00 . 1 1190 103 CYS HB2 H 3.52 . 2 1191 103 CYS HB3 H 3.10 . 2 1192 103 CYS C C 170.60 . 1 1193 103 CYS CA C 54.43 . 1 1194 103 CYS CB C 47.33 . 1 1195 103 CYS N N 118.70 . 1 1196 104 PRO HA H 4.34 . 1 1197 104 PRO HB2 H 1.81 . 1 1198 104 PRO HB3 H 2.26 . 1 1199 104 PRO HG2 H 2.04 . 2 1200 104 PRO HG3 H 1.95 . 2 1201 104 PRO HD2 H 3.70 . 2 1202 104 PRO HD3 H 3.61 . 2 1203 104 PRO C C 176.80 . 1 1204 104 PRO CA C 63.23 . 1 1205 104 PRO CB C 32.13 . 1 1206 104 PRO CG C 27.43 . 1 1207 104 PRO CD C 50.13 . 1 1208 104 PRO N N 106.00 . 1 1209 105 VAL H H 8.39 . 1 1210 105 VAL HA H 4.15 . 1 1211 105 VAL HB H 1.96 . 1 1212 105 VAL HG1 H 1.01 . 2 1213 105 VAL HG2 H 0.84 . 2 1214 105 VAL C C 175.50 . 1 1215 105 VAL CA C 61.43 . 1 1216 105 VAL CB C 34.03 . 1 1217 105 VAL CG1 C 21.33 . 2 1218 105 VAL CG2 C 21.53 . 2 1219 105 VAL N N 122.70 . 1 1220 106 LYS H H 8.43 . 1 1221 106 LYS HA H 4.40 . 1 1222 106 LYS HB2 H 1.81 . 2 1223 106 LYS HB3 H 1.69 . 2 1224 106 LYS HG2 H 1.38 . 1 1225 106 LYS HG3 H 1.38 . 1 1226 106 LYS HD2 H 1.67 . 1 1227 106 LYS HD3 H 1.67 . 1 1228 106 LYS HE2 H 3.00 . 1 1229 106 LYS HE3 H 3.00 . 1 1230 106 LYS C C 175.90 . 1 1231 106 LYS CA C 55.43 . 1 1232 106 LYS CB C 33.03 . 1 1233 106 LYS CG C 24.63 . 1 1234 106 LYS CD C 28.93 . 1 1235 106 LYS CE C 41.83 . 1 1236 106 LYS N N 128.10 . 1 1237 107 GLU H H 8.39 . 1 1238 107 GLU HA H 4.18 . 1 1239 107 GLU HB2 H 1.90 . 1 1240 107 GLU HB3 H 1.99 . 1 1241 107 GLU HG2 H 2.28 . 1 1242 107 GLU HG3 H 2.28 . 1 1243 107 GLU C C 175.70 . 1 1244 107 GLU CA C 57.33 . 1 1245 107 GLU CB C 29.73 . 1 1246 107 GLU CG C 36.13 . 1 1247 107 GLU N N 123.30 . 1 1248 108 ALA H H 7.95 . 1 1249 108 ALA HA H 4.49 . 1 1250 108 ALA HB H 1.40 . 1 1251 108 ALA C C 176.80 . 1 1252 108 ALA CA C 51.83 . 1 1253 108 ALA CB C 20.13 . 1 1254 108 ALA N N 125.30 . 1 1255 109 ASP H H 8.03 . 1 1256 109 ASP HA H 4.63 . 1 1257 109 ASP HB2 H 2.65 . 1 1258 109 ASP HB3 H 2.83 . 1 1259 109 ASP C C 175.40 . 1 1260 109 ASP CA C 55.03 . 1 1261 109 ASP CB C 41.43 . 1 1262 109 ASP N N 119.80 . 1 1263 110 GLN H H 8.71 . 1 1264 110 GLN HA H 5.10 . 1 1265 110 GLN HB2 H 2.04 . 1 1266 110 GLN HB3 H 2.04 . 1 1267 110 GLN HG2 H 2.37 . 1 1268 110 GLN HG3 H 2.37 . 1 1269 110 GLN HE21 H 7.33 . 2 1270 110 GLN HE22 H 6.60 . 2 1271 110 GLN C C 176.20 . 1 1272 110 GLN CA C 54.73 . 1 1273 110 GLN CB C 32.43 . 1 1274 110 GLN CG C 33.93 . 1 1275 110 GLN N N 118.70 . 1 1276 110 GLN NE2 N 113.70 . 1 1277 111 SER H H 9.12 . 1 1278 111 SER HA H 5.05 . 1 1279 111 SER HB2 H 3.72 . 1 1280 111 SER HB3 H 4.00 . 1 1281 111 SER C C 174.30 . 1 1282 111 SER CA C 55.93 . 1 1283 111 SER CB C 66.73 . 1 1284 111 SER N N 115.90 . 1 1285 112 THR H H 8.93 . 1 1286 112 THR HA H 4.46 . 1 1287 112 THR HB H 4.75 . 1 1288 112 THR HG2 H 1.42 . 1 1289 112 THR C C 176.80 . 1 1290 112 THR CA C 62.13 . 1 1291 112 THR CB C 70.43 . 1 1292 112 THR CG2 C 22.23 . 1 1293 112 THR N N 113.60 . 1 1294 113 LEU H H 8.90 . 1 1295 113 LEU HA H 4.00 . 1 1296 113 LEU HB2 H 0.97 . 1 1297 113 LEU HB3 H 1.80 . 1 1298 113 LEU HG H 1.37 . 1 1299 113 LEU HD1 H 0.35 . 1 1300 113 LEU HD2 H 0.18 . 1 1301 113 LEU C C 178.50 . 1 1302 113 LEU CA C 58.23 . 1 1303 113 LEU CB C 39.53 . 1 1304 113 LEU CG C 26.23 . 1 1305 113 LEU CD1 C 22.63 . 1 1306 113 LEU CD2 C 25.53 . 1 1307 113 LEU N N 125.30 . 1 1308 114 GLU H H 8.52 . 1 1309 114 GLU HA H 3.97 . 1 1310 114 GLU HB2 H 2.10 . 1 1311 114 GLU HB3 H 1.97 . 1 1312 114 GLU HG2 H 2.37 . 1 1313 114 GLU HG3 H 2.37 . 1 1314 114 GLU C C 177.70 . 1 1315 114 GLU CA C 59.83 . 1 1316 114 GLU CB C 29.03 . 1 1317 114 GLU CG C 34.63 . 1 1318 114 GLU N N 117.00 . 1 1319 115 ASN H H 7.90 . 1 1320 115 ASN HA H 4.46 . 1 1321 115 ASN HB2 H 2.81 . 1 1322 115 ASN HB3 H 2.89 . 1 1323 115 ASN HD21 H 7.69 . 2 1324 115 ASN HD22 H 6.92 . 2 1325 115 ASN C C 177.60 . 1 1326 115 ASN CA C 56.23 . 1 1327 115 ASN CB C 38.53 . 1 1328 115 ASN N N 117.80 . 1 1329 115 ASN ND2 N 112.30 . 1 1330 116 PHE H H 8.41 . 1 1331 116 PHE HA H 4.43 . 1 1332 116 PHE HB2 H 3.00 . 1 1333 116 PHE HB3 H 3.49 . 1 1334 116 PHE HD1 H 7.23 . 1 1335 116 PHE HD2 H 7.23 . 1 1336 116 PHE HE1 H 7.23 . 1 1337 116 PHE HE2 H 7.23 . 1 1338 116 PHE HZ H 7.20 . 1 1339 116 PHE C C 177.20 . 1 1340 116 PHE CA C 61.13 . 1 1341 116 PHE CB C 40.03 . 1 1342 116 PHE CD1 C 132.33 . 1 1343 116 PHE CD2 C 132.33 . 1 1344 116 PHE CE1 C 130.83 . 1 1345 116 PHE CE2 C 130.83 . 1 1346 116 PHE CZ C 128.53 . 1 1347 116 PHE N N 123.00 . 1 1348 117 LEU H H 8.91 . 1 1349 117 LEU HA H 3.93 . 1 1350 117 LEU HB2 H 2.10 . 1 1351 117 LEU HB3 H 1.18 . 1 1352 117 LEU HG H 2.12 . 1 1353 117 LEU HD1 H 0.81 . 1 1354 117 LEU HD2 H 0.83 . 1 1355 117 LEU C C 179.10 . 1 1356 117 LEU CA C 57.63 . 1 1357 117 LEU CB C 41.53 . 1 1358 117 LEU CG C 26.53 . 1 1359 117 LEU CD1 C 26.33 . 1 1360 117 LEU CD2 C 22.43 . 1 1361 117 LEU N N 117.90 . 1 1362 118 GLU H H 7.96 . 1 1363 118 GLU HA H 4.02 . 1 1364 118 GLU HB2 H 2.17 . 2 1365 118 GLU HB3 H 2.12 . 2 1366 118 GLU HG2 H 2.41 . 1 1367 118 GLU HG3 H 2.41 . 1 1368 118 GLU C C 179.50 . 1 1369 118 GLU CA C 59.23 . 1 1370 118 GLU CB C 28.83 . 1 1371 118 GLU CG C 35.03 . 1 1372 118 GLU N N 118.80 . 1 1373 119 ARG H H 7.95 . 1 1374 119 ARG HA H 3.90 . 1 1375 119 ARG HB2 H 1.22 . 1 1376 119 ARG HB3 H 1.60 . 1 1377 119 ARG HG2 H 1.23 . 1 1378 119 ARG HG3 H 1.23 . 1 1379 119 ARG HD2 H 3.06 . 2 1380 119 ARG HD3 H 2.98 . 2 1381 119 ARG C C 178.90 . 1 1382 119 ARG CA C 58.53 . 1 1383 119 ARG CB C 28.73 . 1 1384 119 ARG CG C 26.73 . 1 1385 119 ARG CD C 42.73 . 1 1386 119 ARG N N 121.00 . 1 1387 120 LEU H H 8.10 . 1 1388 120 LEU HA H 3.83 . 1 1389 120 LEU HB2 H 1.49 . 1 1390 120 LEU HB3 H 1.78 . 1 1391 120 LEU HG H 1.60 . 1 1392 120 LEU HD1 H 0.95 . 1 1393 120 LEU HD2 H 0.95 . 1 1394 120 LEU C C 178.00 . 1 1395 120 LEU CA C 57.33 . 1 1396 120 LEU CB C 41.73 . 1 1397 120 LEU CG C 26.73 . 1 1398 120 LEU CD1 C 23.33 . 1 1399 120 LEU CD2 C 25.83 . 1 1400 120 LEU N N 119.60 . 1 1401 121 LYS H H 8.49 . 1 1402 121 LYS HA H 3.67 . 1 1403 121 LYS HB2 H 1.81 . 1 1404 121 LYS HB3 H 2.12 . 1 1405 121 LYS HG2 H 1.45 . 2 1406 121 LYS HG3 H 1.33 . 2 1407 121 LYS HD2 H 1.75 . 2 1408 121 LYS HD3 H 1.60 . 2 1409 121 LYS HE2 H 2.88 . 1 1410 121 LYS HE3 H 2.88 . 1 1411 121 LYS C C 177.90 . 1 1412 121 LYS CA C 60.53 . 1 1413 121 LYS CB C 32.03 . 1 1414 121 LYS CG C 25.23 . 1 1415 121 LYS CD C 29.63 . 1 1416 121 LYS CE C 41.43 . 1 1417 121 LYS N N 119.60 . 1 1418 122 THR H H 7.93 . 1 1419 122 THR HA H 3.84 . 1 1420 122 THR HB H 4.29 . 1 1421 122 THR HG2 H 1.22 . 1 1422 122 THR C C 176.50 . 1 1423 122 THR CA C 67.03 . 1 1424 122 THR CB C 68.63 . 1 1425 122 THR CG2 C 21.53 . 1 1426 122 THR N N 116.20 . 1 1427 123 ILE H H 7.73 . 1 1428 123 ILE HA H 3.87 . 1 1429 123 ILE HB H 1.92 . 1 1430 123 ILE HG12 H 1.59 . 2 1431 123 ILE HG13 H 1.15 . 2 1432 123 ILE HG2 H 1.04 . 1 1433 123 ILE HD1 H 0.69 . 1 1434 123 ILE C C 179.00 . 1 1435 123 ILE CA C 64.93 . 1 1436 123 ILE CB C 38.43 . 1 1437 123 ILE CG1 C 28.93 . 1 1438 123 ILE CG2 C 16.73 . 1 1439 123 ILE CD1 C 14.23 . 1 1440 123 ILE N N 121.40 . 1 1441 124 MET H H 8.42 . 1 1442 124 MET HA H 4.46 . 1 1443 124 MET HB2 H 2.08 . 1 1444 124 MET HB3 H 1.78 . 1 1445 124 MET HG2 H 2.74 . 2 1446 124 MET HG3 H 2.35 . 2 1447 124 MET HE H 1.55 . 1 1448 124 MET C C 178.70 . 1 1449 124 MET CA C 56.73 . 1 1450 124 MET CB C 30.43 . 1 1451 124 MET CG C 32.63 . 1 1452 124 MET CE C 17.43 . 1 1453 124 MET N N 117.90 . 1 1454 125 ARG H H 8.60 . 1 1455 125 ARG HA H 4.02 . 1 1456 125 ARG HB2 H 1.98 . 1 1457 125 ARG HB3 H 1.98 . 1 1458 125 ARG HG2 H 1.82 . 2 1459 125 ARG HG3 H 1.64 . 2 1460 125 ARG HD2 H 3.22 . 1 1461 125 ARG HD3 H 3.22 . 1 1462 125 ARG C C 179.20 . 1 1463 125 ARG CA C 59.73 . 1 1464 125 ARG CB C 29.83 . 1 1465 125 ARG CG C 27.83 . 1 1466 125 ARG CD C 43.33 . 1 1467 125 ARG N N 119.90 . 1 1468 126 GLU H H 7.88 . 1 1469 126 GLU HA H 4.15 . 1 1470 126 GLU HB2 H 2.21 . 2 1471 126 GLU HB3 H 2.15 . 2 1472 126 GLU HG2 H 2.47 . 1 1473 126 GLU HG3 H 2.47 . 1 1474 126 GLU C C 178.90 . 1 1475 126 GLU CA C 59.33 . 1 1476 126 GLU CB C 29.03 . 1 1477 126 GLU CG C 36.03 . 1 1478 126 GLU N N 119.70 . 1 1479 127 LYS H H 7.92 . 1 1480 127 LYS HA H 4.16 . 1 1481 127 LYS HB2 H 1.99 . 2 1482 127 LYS HB3 H 1.89 . 2 1483 127 LYS HG2 H 1.67 . 2 1484 127 LYS HG3 H 1.46 . 2 1485 127 LYS HD2 H 1.67 . 1 1486 127 LYS HD3 H 1.67 . 1 1487 127 LYS HE2 H 3.04 . 1 1488 127 LYS HE3 H 3.04 . 1 1489 127 LYS C C 178.80 . 1 1490 127 LYS CA C 58.83 . 1 1491 127 LYS CB C 32.53 . 1 1492 127 LYS CG C 24.63 . 1 1493 127 LYS CD C 28.83 . 1 1494 127 LYS CE C 41.83 . 1 1495 127 LYS N N 118.80 . 1 1496 128 TYR H H 8.50 . 1 1497 128 TYR HA H 4.60 . 1 1498 128 TYR HB2 H 3.00 . 1 1499 128 TYR HB3 H 3.14 . 1 1500 128 TYR HD1 H 7.08 . 1 1501 128 TYR HD2 H 7.08 . 1 1502 128 TYR HE1 H 6.79 . 1 1503 128 TYR HE2 H 6.79 . 1 1504 128 TYR C C 177.50 . 1 1505 128 TYR CA C 59.23 . 1 1506 128 TYR CB C 38.83 . 1 1507 128 TYR CD1 C 133.23 . 1 1508 128 TYR CD2 C 133.23 . 1 1509 128 TYR CE1 C 118.03 . 1 1510 128 TYR CE2 C 118.03 . 1 1511 128 TYR N N 119.50 . 1 1512 129 SER H H 8.08 . 1 1513 129 SER HA H 4.21 . 1 1514 129 SER HB2 H 4.06 . 1 1515 129 SER HB3 H 4.06 . 1 1516 129 SER C C 175.70 . 1 1517 129 SER CA C 61.13 . 1 1518 129 SER CB C 63.03 . 1 1519 129 SER N N 115.00 . 1 1520 130 LYS H H 7.60 . 1 1521 130 LYS HA H 4.35 . 1 1522 130 LYS HB2 H 1.98 . 2 1523 130 LYS HB3 H 1.87 . 2 1524 130 LYS HG2 H 1.59 . 2 1525 130 LYS HG3 H 1.49 . 2 1526 130 LYS HD2 H 1.69 . 1 1527 130 LYS HD3 H 1.69 . 1 1528 130 LYS HE2 H 3.01 . 1 1529 130 LYS HE3 H 3.01 . 1 1530 130 LYS C C 177.20 . 1 1531 130 LYS CA C 56.93 . 1 1532 130 LYS CB C 32.23 . 1 1533 130 LYS CG C 24.93 . 1 1534 130 LYS CD C 28.83 . 1 1535 130 LYS CE C 41.83 . 1 1536 130 LYS N N 118.90 . 1 1537 131 CYS H H 7.75 . 1 1538 131 CYS HA H 4.77 . 1 1539 131 CYS HB2 H 3.15 . 2 1540 131 CYS HB3 H 3.11 . 2 1541 131 CYS C C 174.30 . 1 1542 131 CYS CA C 55.63 . 1 1543 131 CYS CB C 41.73 . 1 1544 131 CYS N N 115.80 . 1 1545 132 SER H H 7.94 . 1 1546 132 SER HA H 4.47 . 1 1547 132 SER HB2 H 3.82 . 2 1548 132 SER HB3 H 3.67 . 2 1549 132 SER C C 173.60 . 1 1550 132 SER CA C 58.33 . 1 1551 132 SER CB C 63.93 . 1 1552 132 SER N N 116.00 . 1 1553 133 SER H H 7.76 . 1 1554 133 SER HA H 4.31 . 1 1555 133 SER HB2 H 3.87 . 1 1556 133 SER HB3 H 3.87 . 1 1557 133 SER C C 178.60 . 1 1558 133 SER CA C 60.13 . 1 1559 133 SER CB C 64.83 . 1 1560 133 SER N N 123.00 . 1 stop_ save_