data_10258 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structures of the fn3 domain of human ephrin type-B receptor 1 ; _BMRB_accession_number 10258 _BMRB_flat_file_name bmr10258.str _Entry_type new _Submission_date 2008-11-21 _Accession_date 2008-11-21 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sato M. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 602 "13C chemical shifts" 450 "15N chemical shifts" 108 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-24 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structures of the fn3 domain of human ephrin type-B receptor 1' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sato M. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Ephrin type-B receptor 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Fibronectin type III domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Fibronectin type III domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; GSSGSSGPSTVPIMHQVSAT MRSITLSWPQPEQPNGIILD YEIRYYEKEHNEFNSSMARS QTNTARIDGLRPGMVYVVQV RARTVAGYGKFSGKMCFQTL TDSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 SER 10 THR 11 VAL 12 PRO 13 ILE 14 MET 15 HIS 16 GLN 17 VAL 18 SER 19 ALA 20 THR 21 MET 22 ARG 23 SER 24 ILE 25 THR 26 LEU 27 SER 28 TRP 29 PRO 30 GLN 31 PRO 32 GLU 33 GLN 34 PRO 35 ASN 36 GLY 37 ILE 38 ILE 39 LEU 40 ASP 41 TYR 42 GLU 43 ILE 44 ARG 45 TYR 46 TYR 47 GLU 48 LYS 49 GLU 50 HIS 51 ASN 52 GLU 53 PHE 54 ASN 55 SER 56 SER 57 MET 58 ALA 59 ARG 60 SER 61 GLN 62 THR 63 ASN 64 THR 65 ALA 66 ARG 67 ILE 68 ASP 69 GLY 70 LEU 71 ARG 72 PRO 73 GLY 74 MET 75 VAL 76 TYR 77 VAL 78 VAL 79 GLN 80 VAL 81 ARG 82 ALA 83 ARG 84 THR 85 VAL 86 ALA 87 GLY 88 TYR 89 GLY 90 LYS 91 PHE 92 SER 93 GLY 94 LYS 95 MET 96 CYS 97 PHE 98 GLN 99 THR 100 LEU 101 THR 102 ASP 103 SER 104 GLY 105 PRO 106 SER 107 SER 108 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 2DJS "Solution Structures Of The Fn3 Domain Of Human Ephrin Type- B Receptor 1" 100.00 108 100.00 100.00 3.18e-73 DBJ BAG53024 "unnamed protein product [Homo sapiens]" 83.33 545 98.89 98.89 8.69e-56 REF XP_004321818 "PREDICTED: ephrin type-B receptor 1-like [Tursiops truncatus]" 83.33 545 98.89 98.89 8.34e-56 REF XP_006883431 "PREDICTED: ephrin type-B receptor 1-like [Elephantulus edwardii]" 83.33 545 98.89 98.89 8.60e-56 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 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 $entity_1 'Cell free synthesis' . . . . plasmid P050912-11 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B. A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.932 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guentert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Fibronectin type III domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 6 6 SER HA H 4.523 0.030 1 2 6 6 SER HB2 H 3.847 0.030 2 3 6 6 SER CA C 58.535 0.300 1 4 6 6 SER CB C 64.106 0.300 1 5 7 7 GLY H H 8.202 0.030 1 6 7 7 GLY HA2 H 3.881 0.030 2 7 7 7 GLY HA3 H 3.740 0.030 2 8 7 7 GLY CA C 44.322 0.300 1 9 7 7 GLY N N 109.573 0.300 1 10 8 8 PRO HA H 4.641 0.030 1 11 8 8 PRO HB2 H 2.346 0.030 2 12 8 8 PRO HB3 H 1.852 0.030 2 13 8 8 PRO HD2 H 3.514 0.030 2 14 8 8 PRO HD3 H 3.252 0.030 2 15 8 8 PRO HG2 H 1.847 0.030 2 16 8 8 PRO HG3 H 1.799 0.030 2 17 8 8 PRO C C 176.480 0.300 1 18 8 8 PRO CA C 62.582 0.300 1 19 8 8 PRO CB C 32.331 0.300 1 20 8 8 PRO CD C 48.999 0.300 1 21 8 8 PRO CG C 27.222 0.300 1 22 9 9 SER H H 8.061 0.030 1 23 9 9 SER HA H 4.374 0.030 1 24 9 9 SER HB2 H 4.351 0.030 2 25 9 9 SER HB3 H 4.052 0.030 2 26 9 9 SER C C 173.090 0.300 1 27 9 9 SER CA C 58.754 0.300 1 28 9 9 SER CB C 63.667 0.300 1 29 9 9 SER N N 115.137 0.300 1 30 10 10 THR H H 8.359 0.030 1 31 10 10 THR HA H 4.027 0.030 1 32 10 10 THR HB H 3.998 0.030 1 33 10 10 THR HG2 H 1.165 0.030 1 34 10 10 THR C C 175.380 0.300 1 35 10 10 THR CA C 62.781 0.300 1 36 10 10 THR CB C 69.617 0.300 1 37 10 10 THR CG2 C 22.166 0.300 1 38 10 10 THR N N 115.079 0.300 1 39 11 11 VAL H H 9.280 0.030 1 40 11 11 VAL HA H 4.097 0.030 1 41 11 11 VAL HB H 1.898 0.030 1 42 11 11 VAL HG1 H 1.206 0.030 1 43 11 11 VAL HG2 H 1.187 0.030 1 44 11 11 VAL C C 175.706 0.300 1 45 11 11 VAL CA C 61.518 0.300 1 46 11 11 VAL CB C 33.174 0.300 1 47 11 11 VAL CG1 C 21.318 0.300 2 48 11 11 VAL CG2 C 21.416 0.300 2 49 11 11 VAL N N 131.182 0.300 1 50 12 12 PRO HA H 4.415 0.030 1 51 12 12 PRO HB2 H 2.357 0.030 2 52 12 12 PRO HB3 H 2.016 0.030 2 53 12 12 PRO HD2 H 4.037 0.030 2 54 12 12 PRO HD3 H 3.783 0.030 2 55 12 12 PRO HG2 H 2.207 0.030 2 56 12 12 PRO HG3 H 2.018 0.030 2 57 12 12 PRO C C 175.612 0.300 1 58 12 12 PRO CA C 64.850 0.300 1 59 12 12 PRO CB C 32.578 0.300 1 60 12 12 PRO CD C 51.791 0.300 1 61 12 12 PRO CG C 27.387 0.300 1 62 13 13 ILE H H 7.251 0.030 1 63 13 13 ILE HA H 4.439 0.030 1 64 13 13 ILE HB H 1.899 0.030 1 65 13 13 ILE HD1 H 0.998 0.030 1 66 13 13 ILE HG12 H 1.459 0.030 2 67 13 13 ILE HG13 H 1.100 0.030 2 68 13 13 ILE HG2 H 0.644 0.030 1 69 13 13 ILE C C 170.969 0.300 1 70 13 13 ILE CA C 59.973 0.300 1 71 13 13 ILE CB C 40.776 0.300 1 72 13 13 ILE CD1 C 14.513 0.300 1 73 13 13 ILE CG1 C 29.068 0.300 1 74 13 13 ILE CG2 C 16.345 0.300 1 75 13 13 ILE N N 115.827 0.300 1 76 14 14 MET H H 6.827 0.030 1 77 14 14 MET HA H 4.961 0.030 1 78 14 14 MET HB2 H 2.129 0.030 2 79 14 14 MET HB3 H 2.075 0.030 2 80 14 14 MET HE H 1.528 0.030 1 81 14 14 MET HG2 H 2.546 0.030 2 82 14 14 MET HG3 H 2.158 0.030 2 83 14 14 MET C C 173.380 0.300 1 84 14 14 MET CA C 55.214 0.300 1 85 14 14 MET CB C 38.223 0.300 1 86 14 14 MET CE C 18.735 0.300 1 87 14 14 MET CG C 32.661 0.300 1 88 14 14 MET N N 116.754 0.300 1 89 15 15 HIS H H 9.417 0.030 1 90 15 15 HIS HA H 4.958 0.030 1 91 15 15 HIS HB2 H 2.957 0.030 2 92 15 15 HIS HB3 H 2.888 0.030 2 93 15 15 HIS HD2 H 6.838 0.030 1 94 15 15 HIS HE1 H 7.714 0.030 1 95 15 15 HIS C C 173.901 0.300 1 96 15 15 HIS CA C 55.190 0.300 1 97 15 15 HIS CB C 33.361 0.300 1 98 15 15 HIS CD2 C 119.860 0.300 1 99 15 15 HIS CE1 C 138.130 0.300 1 100 15 15 HIS N N 118.539 0.300 1 101 16 16 GLN H H 9.164 0.030 1 102 16 16 GLN HA H 4.385 0.030 1 103 16 16 GLN HB2 H 2.093 0.030 1 104 16 16 GLN HB3 H 2.093 0.030 1 105 16 16 GLN HE21 H 7.022 0.030 2 106 16 16 GLN HE22 H 6.805 0.030 2 107 16 16 GLN HG2 H 2.106 0.030 1 108 16 16 GLN HG3 H 2.106 0.030 1 109 16 16 GLN C C 175.463 0.300 1 110 16 16 GLN CA C 55.992 0.300 1 111 16 16 GLN CB C 29.159 0.300 1 112 16 16 GLN CG C 34.367 0.300 1 113 16 16 GLN N N 123.267 0.300 1 114 16 16 GLN NE2 N 109.816 0.300 1 115 17 17 VAL H H 8.983 0.030 1 116 17 17 VAL HA H 3.910 0.030 1 117 17 17 VAL HB H 1.609 0.030 1 118 17 17 VAL HG1 H 0.822 0.030 1 119 17 17 VAL HG2 H 0.747 0.030 1 120 17 17 VAL C C 176.328 0.300 1 121 17 17 VAL CA C 63.807 0.300 1 122 17 17 VAL CB C 33.088 0.300 1 123 17 17 VAL CG1 C 20.720 0.300 2 124 17 17 VAL CG2 C 21.023 0.300 2 125 17 17 VAL N N 128.880 0.300 1 126 18 18 SER H H 7.740 0.030 1 127 18 18 SER HA H 4.589 0.030 1 128 18 18 SER HB2 H 3.863 0.030 2 129 18 18 SER HB3 H 3.711 0.030 2 130 18 18 SER C C 171.965 0.300 1 131 18 18 SER CA C 57.441 0.300 1 132 18 18 SER CB C 64.058 0.300 1 133 18 18 SER N N 110.447 0.300 1 134 19 19 ALA H H 8.114 0.030 1 135 19 19 ALA HA H 5.086 0.030 1 136 19 19 ALA HB H 1.590 0.030 1 137 19 19 ALA C C 176.404 0.300 1 138 19 19 ALA CA C 52.453 0.300 1 139 19 19 ALA CB C 23.038 0.300 1 140 19 19 ALA N N 121.116 0.300 1 141 20 20 THR H H 8.710 0.030 1 142 20 20 THR HA H 4.787 0.030 1 143 20 20 THR HB H 4.769 0.030 1 144 20 20 THR HG2 H 1.126 0.030 1 145 20 20 THR C C 175.596 0.300 1 146 20 20 THR CA C 60.341 0.300 1 147 20 20 THR CB C 71.307 0.300 1 148 20 20 THR CG2 C 21.191 0.300 1 149 20 20 THR N N 110.762 0.300 1 150 21 21 MET H H 8.686 0.030 1 151 21 21 MET HA H 4.618 0.030 1 152 21 21 MET HB2 H 2.104 0.030 2 153 21 21 MET HB3 H 1.980 0.030 2 154 21 21 MET HE H 2.120 0.030 1 155 21 21 MET HG2 H 2.563 0.030 2 156 21 21 MET HG3 H 2.381 0.030 2 157 21 21 MET C C 174.754 0.300 1 158 21 21 MET CA C 59.272 0.300 1 159 21 21 MET CB C 34.488 0.300 1 160 21 21 MET CE C 16.988 0.300 1 161 21 21 MET CG C 32.496 0.300 1 162 21 21 MET N N 118.478 0.300 1 163 22 22 ARG H H 7.296 0.030 1 164 22 22 ARG HA H 4.453 0.030 1 165 22 22 ARG HB2 H 2.132 0.030 2 166 22 22 ARG HB3 H 1.465 0.030 2 167 22 22 ARG HD2 H 3.278 0.030 2 168 22 22 ARG HD3 H 3.178 0.030 2 169 22 22 ARG HG2 H 1.521 0.030 2 170 22 22 ARG HG3 H 1.420 0.030 2 171 22 22 ARG C C 174.722 0.300 1 172 22 22 ARG CA C 54.218 0.300 1 173 22 22 ARG CB C 32.509 0.300 1 174 22 22 ARG CD C 43.290 0.300 1 175 22 22 ARG CG C 28.169 0.300 1 176 22 22 ARG N N 108.176 0.300 1 177 23 23 SER H H 7.387 0.030 1 178 23 23 SER HA H 5.353 0.030 1 179 23 23 SER HB2 H 3.733 0.030 2 180 23 23 SER HB3 H 3.572 0.030 2 181 23 23 SER C C 171.910 0.300 1 182 23 23 SER CA C 57.230 0.300 1 183 23 23 SER CB C 68.011 0.300 1 184 23 23 SER N N 114.861 0.300 1 185 24 24 ILE H H 8.061 0.030 1 186 24 24 ILE HA H 4.470 0.030 1 187 24 24 ILE HB H 1.178 0.030 1 188 24 24 ILE HD1 H 0.495 0.030 1 189 24 24 ILE HG12 H 1.236 0.030 2 190 24 24 ILE HG13 H 0.766 0.030 2 191 24 24 ILE HG2 H 0.688 0.030 1 192 24 24 ILE C C 174.028 0.300 1 193 24 24 ILE CA C 61.402 0.300 1 194 24 24 ILE CB C 43.249 0.300 1 195 24 24 ILE CD1 C 13.854 0.300 1 196 24 24 ILE CG1 C 26.916 0.300 1 197 24 24 ILE CG2 C 18.021 0.300 1 198 24 24 ILE N N 116.152 0.300 1 199 25 25 THR H H 8.584 0.030 1 200 25 25 THR HA H 5.107 0.030 1 201 25 25 THR HB H 3.863 0.030 1 202 25 25 THR HG2 H 0.905 0.030 1 203 25 25 THR C C 173.463 0.300 1 204 25 25 THR CA C 62.127 0.300 1 205 25 25 THR CB C 68.954 0.300 1 206 25 25 THR CG2 C 20.597 0.300 1 207 25 25 THR N N 122.080 0.300 1 208 26 26 LEU H H 9.093 0.030 1 209 26 26 LEU HA H 5.427 0.030 1 210 26 26 LEU HB2 H 1.678 0.030 2 211 26 26 LEU HB3 H 1.481 0.030 2 212 26 26 LEU HD1 H 0.466 0.030 1 213 26 26 LEU HD2 H -0.027 0.030 1 214 26 26 LEU HG H 1.251 0.030 1 215 26 26 LEU C C 175.180 0.300 1 216 26 26 LEU CA C 53.181 0.300 1 217 26 26 LEU CB C 46.902 0.300 1 218 26 26 LEU CD1 C 26.810 0.300 2 219 26 26 LEU CD2 C 23.038 0.300 2 220 26 26 LEU CG C 27.116 0.300 1 221 26 26 LEU N N 128.231 0.300 1 222 27 27 SER H H 9.260 0.030 1 223 27 27 SER HA H 4.757 0.030 1 224 27 27 SER HB2 H 3.611 0.030 2 225 27 27 SER HB3 H 3.335 0.030 2 226 27 27 SER C C 172.413 0.300 1 227 27 27 SER CA C 56.912 0.300 1 228 27 27 SER CB C 66.220 0.300 1 229 27 27 SER N N 115.325 0.300 1 230 28 28 TRP H H 7.430 0.030 1 231 28 28 TRP HA H 5.212 0.030 1 232 28 28 TRP HB2 H 3.542 0.030 2 233 28 28 TRP HB3 H 3.335 0.030 2 234 28 28 TRP HD1 H 6.958 0.030 1 235 28 28 TRP HE1 H 6.142 0.030 1 236 28 28 TRP HE3 H 6.791 0.030 1 237 28 28 TRP HH2 H 6.646 0.030 1 238 28 28 TRP HZ2 H 6.663 0.030 1 239 28 28 TRP HZ3 H 6.446 0.030 1 240 28 28 TRP C C 171.555 0.300 1 241 28 28 TRP CA C 55.143 0.300 1 242 28 28 TRP CB C 28.918 0.300 1 243 28 28 TRP CD1 C 127.809 0.300 1 244 28 28 TRP CE3 C 120.031 0.300 1 245 28 28 TRP CH2 C 123.572 0.300 1 246 28 28 TRP CZ2 C 114.367 0.300 1 247 28 28 TRP CZ3 C 120.540 0.300 1 248 28 28 TRP N N 119.703 0.300 1 249 28 28 TRP NE1 N 124.525 0.300 1 250 29 29 PRO HA H 4.543 0.030 1 251 29 29 PRO HB2 H 2.302 0.030 2 252 29 29 PRO HB3 H 1.983 0.030 2 253 29 29 PRO HD2 H 4.140 0.030 2 254 29 29 PRO HD3 H 3.591 0.030 2 255 29 29 PRO HG2 H 2.099 0.030 1 256 29 29 PRO HG3 H 2.099 0.030 1 257 29 29 PRO C C 175.962 0.300 1 258 29 29 PRO CA C 61.702 0.300 1 259 29 29 PRO CB C 32.041 0.300 1 260 29 29 PRO CD C 50.460 0.300 1 261 29 29 PRO CG C 27.552 0.300 1 262 30 30 GLN H H 8.248 0.030 1 263 30 30 GLN HA H 4.654 0.030 1 264 30 30 GLN HB2 H 2.025 0.030 2 265 30 30 GLN HB3 H 1.975 0.030 2 266 30 30 GLN HE21 H 7.611 0.030 2 267 30 30 GLN HE22 H 6.993 0.030 2 268 30 30 GLN HG2 H 2.481 0.030 2 269 30 30 GLN HG3 H 2.437 0.030 2 270 30 30 GLN C C 174.856 0.300 1 271 30 30 GLN CA C 54.524 0.300 1 272 30 30 GLN CB C 28.623 0.300 1 273 30 30 GLN CG C 34.006 0.300 1 274 30 30 GLN N N 117.321 0.300 1 275 30 30 GLN NE2 N 112.041 0.300 1 276 31 31 PRO HA H 4.116 0.030 1 277 31 31 PRO HB2 H 2.476 0.030 2 278 31 31 PRO HB3 H 1.473 0.030 2 279 31 31 PRO HD2 H 4.198 0.030 2 280 31 31 PRO HD3 H 3.791 0.030 2 281 31 31 PRO HG2 H 1.988 0.030 2 282 31 31 PRO HG3 H 1.910 0.030 2 283 31 31 PRO C C 175.787 0.300 1 284 31 31 PRO CA C 63.364 0.300 1 285 31 31 PRO CB C 32.503 0.300 1 286 31 31 PRO CD C 50.789 0.300 1 287 31 31 PRO CG C 28.204 0.300 1 288 32 32 GLU H H 8.367 0.030 1 289 32 32 GLU HA H 4.004 0.030 1 290 32 32 GLU HB2 H 2.057 0.030 2 291 32 32 GLU HB3 H 1.995 0.030 2 292 32 32 GLU HG2 H 2.403 0.030 2 293 32 32 GLU HG3 H 2.315 0.030 2 294 32 32 GLU C C 176.748 0.300 1 295 32 32 GLU CA C 58.644 0.300 1 296 32 32 GLU CB C 30.271 0.300 1 297 32 32 GLU CG C 36.771 0.300 1 298 32 32 GLU N N 122.959 0.300 1 299 33 33 GLN H H 8.220 0.030 1 300 33 33 GLN HA H 4.820 0.030 1 301 33 33 GLN HB2 H 2.019 0.030 2 302 33 33 GLN HB3 H 1.936 0.030 2 303 33 33 GLN HE21 H 7.589 0.030 2 304 33 33 GLN HE22 H 6.849 0.030 2 305 33 33 GLN HG2 H 2.317 0.030 2 306 33 33 GLN HG3 H 2.260 0.030 2 307 33 33 GLN C C 172.938 0.300 1 308 33 33 GLN CA C 52.544 0.300 1 309 33 33 GLN CB C 29.077 0.300 1 310 33 33 GLN CG C 33.447 0.300 1 311 33 33 GLN N N 116.413 0.300 1 312 33 33 GLN NE2 N 112.239 0.300 1 313 34 34 PRO HA H 4.039 0.030 1 314 34 34 PRO HB2 H 2.291 0.030 2 315 34 34 PRO HB3 H 2.014 0.030 2 316 34 34 PRO HD2 H 3.767 0.030 2 317 34 34 PRO HD3 H 3.505 0.030 2 318 34 34 PRO HG2 H 2.184 0.030 2 319 34 34 PRO HG3 H 2.015 0.030 2 320 34 34 PRO C C 175.293 0.300 1 321 34 34 PRO CA C 64.248 0.300 1 322 34 34 PRO CB C 31.974 0.300 1 323 34 34 PRO CD C 50.334 0.300 1 324 34 34 PRO CG C 27.319 0.300 1 325 35 35 ASN H H 8.478 0.030 1 326 35 35 ASN HA H 4.270 0.030 1 327 35 35 ASN HB2 H 2.820 0.030 2 328 35 35 ASN HB3 H 2.456 0.030 2 329 35 35 ASN HD21 H 7.354 0.030 2 330 35 35 ASN HD22 H 6.903 0.030 2 331 35 35 ASN C C 173.982 0.300 1 332 35 35 ASN CA C 53.655 0.300 1 333 35 35 ASN CB C 37.151 0.300 1 334 35 35 ASN N N 111.907 0.300 1 335 35 35 ASN ND2 N 114.521 0.300 1 336 36 36 GLY H H 7.537 0.030 1 337 36 36 GLY HA2 H 4.247 0.030 2 338 36 36 GLY HA3 H 3.749 0.030 2 339 36 36 GLY C C 172.062 0.300 1 340 36 36 GLY CA C 44.147 0.300 1 341 36 36 GLY N N 105.149 0.300 1 342 37 37 ILE H H 8.107 0.030 1 343 37 37 ILE HA H 4.017 0.030 1 344 37 37 ILE HB H 1.676 0.030 1 345 37 37 ILE HD1 H 0.831 0.030 1 346 37 37 ILE HG12 H 1.518 0.030 2 347 37 37 ILE HG13 H 1.177 0.030 2 348 37 37 ILE HG2 H 0.804 0.030 1 349 37 37 ILE C C 176.534 0.300 1 350 37 37 ILE CA C 60.331 0.300 1 351 37 37 ILE CB C 38.929 0.300 1 352 37 37 ILE CD1 C 12.390 0.300 1 353 37 37 ILE CG1 C 27.579 0.300 1 354 37 37 ILE CG2 C 17.110 0.300 1 355 37 37 ILE N N 120.104 0.300 1 356 38 38 ILE H H 8.678 0.030 1 357 38 38 ILE HA H 3.695 0.030 1 358 38 38 ILE HB H 1.779 0.030 1 359 38 38 ILE HD1 H 0.812 0.030 1 360 38 38 ILE HG12 H 1.595 0.030 2 361 38 38 ILE HG13 H 0.923 0.030 2 362 38 38 ILE HG2 H 0.394 0.030 1 363 38 38 ILE C C 176.027 0.300 1 364 38 38 ILE CA C 61.811 0.300 1 365 38 38 ILE CB C 37.028 0.300 1 366 38 38 ILE CD1 C 13.049 0.300 1 367 38 38 ILE CG1 C 28.353 0.300 1 368 38 38 ILE CG2 C 17.252 0.300 1 369 38 38 ILE N N 127.591 0.300 1 370 39 39 LEU H H 9.054 0.030 1 371 39 39 LEU HA H 4.188 0.030 1 372 39 39 LEU HB2 H 1.313 0.030 1 373 39 39 LEU HB3 H 1.313 0.030 1 374 39 39 LEU HD1 H 0.618 0.030 1 375 39 39 LEU HD2 H 0.749 0.030 1 376 39 39 LEU HG H 1.601 0.030 1 377 39 39 LEU C C 176.826 0.300 1 378 39 39 LEU CA C 56.416 0.300 1 379 39 39 LEU CB C 42.664 0.300 1 380 39 39 LEU CD1 C 25.453 0.300 2 381 39 39 LEU CD2 C 21.866 0.300 2 382 39 39 LEU CG C 27.026 0.300 1 383 39 39 LEU N N 130.577 0.300 1 384 40 40 ASP H H 7.502 0.030 1 385 40 40 ASP HA H 4.392 0.030 1 386 40 40 ASP HB2 H 3.334 0.030 2 387 40 40 ASP HB3 H 2.807 0.030 2 388 40 40 ASP C C 171.781 0.300 1 389 40 40 ASP CA C 52.884 0.300 1 390 40 40 ASP CB C 41.985 0.300 1 391 40 40 ASP N N 112.731 0.300 1 392 41 41 TYR H H 8.974 0.030 1 393 41 41 TYR HA H 5.379 0.030 1 394 41 41 TYR HB2 H 2.948 0.030 2 395 41 41 TYR HB3 H 2.739 0.030 2 396 41 41 TYR HD1 H 6.957 0.030 1 397 41 41 TYR HD2 H 6.957 0.030 1 398 41 41 TYR HE1 H 6.706 0.030 1 399 41 41 TYR HE2 H 6.706 0.030 1 400 41 41 TYR C C 175.555 0.300 1 401 41 41 TYR CA C 56.574 0.300 1 402 41 41 TYR CB C 42.213 0.300 1 403 41 41 TYR CE1 C 117.368 0.300 1 404 41 41 TYR CE2 C 117.368 0.300 1 405 41 41 TYR N N 111.324 0.300 1 406 42 42 GLU H H 9.184 0.030 1 407 42 42 GLU HA H 5.066 0.030 1 408 42 42 GLU HB2 H 2.035 0.030 2 409 42 42 GLU HB3 H 1.873 0.030 2 410 42 42 GLU HG2 H 2.347 0.030 2 411 42 42 GLU HG3 H 2.169 0.030 2 412 42 42 GLU C C 174.368 0.300 1 413 42 42 GLU CA C 55.126 0.300 1 414 42 42 GLU CB C 33.471 0.300 1 415 42 42 GLU CG C 37.480 0.300 1 416 42 42 GLU N N 120.875 0.300 1 417 43 43 ILE H H 9.355 0.030 1 418 43 43 ILE HA H 4.853 0.030 1 419 43 43 ILE HB H 1.681 0.030 1 420 43 43 ILE HD1 H 0.692 0.030 1 421 43 43 ILE HG12 H 1.121 0.030 2 422 43 43 ILE HG13 H 0.530 0.030 2 423 43 43 ILE HG2 H 0.641 0.030 1 424 43 43 ILE C C 174.430 0.300 1 425 43 43 ILE CA C 60.323 0.300 1 426 43 43 ILE CB C 40.297 0.300 1 427 43 43 ILE CD1 C 15.772 0.300 1 428 43 43 ILE CG1 C 29.200 0.300 1 429 43 43 ILE CG2 C 20.323 0.300 1 430 43 43 ILE N N 126.045 0.300 1 431 44 44 ARG H H 9.097 0.030 1 432 44 44 ARG HA H 5.545 0.030 1 433 44 44 ARG HB2 H 1.411 0.030 1 434 44 44 ARG HB3 H 1.411 0.030 1 435 44 44 ARG HD2 H 2.948 0.030 2 436 44 44 ARG HD3 H 2.683 0.030 2 437 44 44 ARG HG2 H 1.666 0.030 2 438 44 44 ARG HG3 H 1.319 0.030 2 439 44 44 ARG C C 175.523 0.300 1 440 44 44 ARG CA C 54.386 0.300 1 441 44 44 ARG CB C 34.638 0.300 1 442 44 44 ARG CD C 44.032 0.300 1 443 44 44 ARG CG C 26.586 0.300 1 444 44 44 ARG N N 127.831 0.300 1 445 45 45 TYR H H 8.893 0.030 1 446 45 45 TYR HA H 6.272 0.030 1 447 45 45 TYR HB2 H 2.837 0.030 2 448 45 45 TYR HB3 H 2.709 0.030 2 449 45 45 TYR HD1 H 6.654 0.030 1 450 45 45 TYR HD2 H 6.654 0.030 1 451 45 45 TYR HE1 H 6.460 0.030 1 452 45 45 TYR HE2 H 6.460 0.030 1 453 45 45 TYR C C 173.560 0.300 1 454 45 45 TYR CA C 54.767 0.300 1 455 45 45 TYR CB C 43.168 0.300 1 456 45 45 TYR CD1 C 133.380 0.300 1 457 45 45 TYR CD2 C 133.380 0.300 1 458 45 45 TYR CE1 C 117.964 0.300 1 459 45 45 TYR CE2 C 117.964 0.300 1 460 45 45 TYR N N 123.683 0.300 1 461 46 46 TYR H H 8.479 0.030 1 462 46 46 TYR HA H 5.048 0.030 1 463 46 46 TYR HB2 H 2.897 0.030 1 464 46 46 TYR HB3 H 2.897 0.030 1 465 46 46 TYR HD1 H 6.755 0.030 1 466 46 46 TYR HD2 H 6.755 0.030 1 467 46 46 TYR HE1 H 6.528 0.030 1 468 46 46 TYR HE2 H 6.528 0.030 1 469 46 46 TYR C C 173.870 0.300 1 470 46 46 TYR CA C 55.485 0.300 1 471 46 46 TYR CB C 39.975 0.300 1 472 46 46 TYR CD1 C 134.728 0.300 1 473 46 46 TYR CD2 C 134.728 0.300 1 474 46 46 TYR CE1 C 116.995 0.300 1 475 46 46 TYR CE2 C 116.995 0.300 1 476 46 46 TYR N N 114.778 0.300 1 477 47 47 GLU H H 9.111 0.030 1 478 47 47 GLU HA H 3.819 0.030 1 479 47 47 GLU HB2 H 1.894 0.030 2 480 47 47 GLU HB3 H 1.562 0.030 2 481 47 47 GLU HG2 H 2.331 0.030 2 482 47 47 GLU HG3 H 1.960 0.030 2 483 47 47 GLU C C 177.764 0.300 1 484 47 47 GLU CA C 57.123 0.300 1 485 47 47 GLU CB C 29.773 0.300 1 486 47 47 GLU CG C 37.103 0.300 1 487 47 47 GLU N N 122.069 0.300 1 488 48 48 LYS H H 8.246 0.030 1 489 48 48 LYS HA H 3.722 0.030 1 490 48 48 LYS HB2 H 1.638 0.030 2 491 48 48 LYS HB3 H 1.461 0.030 2 492 48 48 LYS HD2 H 1.561 0.030 2 493 48 48 LYS HD3 H 1.498 0.030 2 494 48 48 LYS HE2 H 2.890 0.030 1 495 48 48 LYS HE3 H 2.890 0.030 1 496 48 48 LYS HG2 H 1.349 0.030 2 497 48 48 LYS HG3 H 1.217 0.030 2 498 48 48 LYS C C 176.588 0.300 1 499 48 48 LYS CA C 59.774 0.300 1 500 48 48 LYS CB C 33.032 0.300 1 501 48 48 LYS CD C 29.617 0.300 1 502 48 48 LYS CE C 42.163 0.300 1 503 48 48 LYS CG C 24.713 0.300 1 504 48 48 LYS N N 122.857 0.300 1 505 49 49 GLU H H 8.192 0.030 1 506 49 49 GLU HA H 4.216 0.030 1 507 49 49 GLU HB2 H 2.094 0.030 2 508 49 49 GLU HB3 H 1.876 0.030 2 509 49 49 GLU HG2 H 2.170 0.030 1 510 49 49 GLU HG3 H 2.170 0.030 1 511 49 49 GLU C C 176.987 0.300 1 512 49 49 GLU CA C 57.447 0.300 1 513 49 49 GLU CB C 28.987 0.300 1 514 49 49 GLU CG C 36.759 0.300 1 515 49 49 GLU N N 114.305 0.300 1 516 50 50 HIS H H 8.329 0.030 1 517 50 50 HIS HA H 4.928 0.030 1 518 50 50 HIS HB2 H 3.423 0.030 1 519 50 50 HIS HB3 H 3.423 0.030 1 520 50 50 HIS HD2 H 6.947 0.030 1 521 50 50 HIS HE1 H 7.834 0.030 1 522 50 50 HIS C C 173.255 0.300 1 523 50 50 HIS CA C 54.372 0.300 1 524 50 50 HIS CB C 31.082 0.300 1 525 50 50 HIS CD2 C 118.088 0.300 1 526 50 50 HIS CE1 C 138.382 0.300 1 527 50 50 HIS N N 120.021 0.300 1 528 51 51 ASN H H 7.687 0.030 1 529 51 51 ASN HA H 4.259 0.030 1 530 51 51 ASN HB2 H 2.823 0.030 2 531 51 51 ASN HB3 H 2.709 0.030 2 532 51 51 ASN HD21 H 7.617 0.030 2 533 51 51 ASN HD22 H 6.928 0.030 2 534 51 51 ASN C C 174.779 0.300 1 535 51 51 ASN CA C 52.561 0.300 1 536 51 51 ASN CB C 39.474 0.300 1 537 51 51 ASN N N 114.158 0.300 1 538 51 51 ASN ND2 N 113.857 0.300 1 539 52 52 GLU H H 8.551 0.030 1 540 52 52 GLU HA H 2.797 0.030 1 541 52 52 GLU HB2 H 1.450 0.030 1 542 52 52 GLU HB3 H 1.450 0.030 1 543 52 52 GLU HG2 H 1.521 0.030 2 544 52 52 GLU HG3 H 1.467 0.030 2 545 52 52 GLU C C 177.117 0.300 1 546 52 52 GLU CA C 58.155 0.300 1 547 52 52 GLU CB C 28.912 0.300 1 548 52 52 GLU CG C 35.239 0.300 1 549 52 52 GLU N N 117.019 0.300 1 550 53 53 PHE H H 7.855 0.030 1 551 53 53 PHE HA H 4.371 0.030 1 552 53 53 PHE HB2 H 3.138 0.030 2 553 53 53 PHE HB3 H 2.943 0.030 2 554 53 53 PHE HD1 H 7.138 0.030 1 555 53 53 PHE HD2 H 7.138 0.030 1 556 53 53 PHE HE1 H 7.264 0.030 1 557 53 53 PHE HE2 H 7.264 0.030 1 558 53 53 PHE HZ H 7.216 0.030 1 559 53 53 PHE C C 175.783 0.300 1 560 53 53 PHE CA C 58.785 0.300 1 561 53 53 PHE CB C 37.747 0.300 1 562 53 53 PHE CD1 C 131.360 0.300 1 563 53 53 PHE CD2 C 131.360 0.300 1 564 53 53 PHE CE1 C 131.449 0.300 1 565 53 53 PHE CE2 C 131.449 0.300 1 566 53 53 PHE CZ C 129.870 0.300 1 567 53 53 PHE N N 119.462 0.300 1 568 54 54 ASN H H 7.744 0.030 1 569 54 54 ASN HA H 4.948 0.030 1 570 54 54 ASN HB2 H 2.863 0.030 2 571 54 54 ASN HB3 H 2.500 0.030 2 572 54 54 ASN HD21 H 7.307 0.030 2 573 54 54 ASN HD22 H 6.745 0.030 2 574 54 54 ASN C C 173.922 0.300 1 575 54 54 ASN CA C 52.102 0.300 1 576 54 54 ASN CB C 38.637 0.300 1 577 54 54 ASN N N 120.451 0.300 1 578 54 54 ASN ND2 N 111.464 0.300 1 579 55 55 SER H H 7.469 0.030 1 580 55 55 SER HA H 4.710 0.030 1 581 55 55 SER HB2 H 3.846 0.030 2 582 55 55 SER HB3 H 3.639 0.030 2 583 55 55 SER C C 173.922 0.300 1 584 55 55 SER CA C 57.883 0.300 1 585 55 55 SER CB C 66.064 0.300 1 586 55 55 SER N N 113.429 0.300 1 587 56 56 SER H H 8.458 0.030 1 588 56 56 SER HA H 4.632 0.030 1 589 56 56 SER HB2 H 3.522 0.030 2 590 56 56 SER HB3 H 2.445 0.030 2 591 56 56 SER C C 171.119 0.300 1 592 56 56 SER CA C 57.866 0.300 1 593 56 56 SER CB C 65.164 0.300 1 594 56 56 SER N N 116.653 0.300 1 595 57 57 MET H H 8.355 0.030 1 596 57 57 MET HA H 5.776 0.030 1 597 57 57 MET HB2 H 1.967 0.030 1 598 57 57 MET HB3 H 1.967 0.030 1 599 57 57 MET HE H 1.997 0.030 1 600 57 57 MET HG2 H 2.509 0.030 2 601 57 57 MET HG3 H 2.462 0.030 2 602 57 57 MET C C 175.771 0.300 1 603 57 57 MET CA C 53.913 0.300 1 604 57 57 MET CB C 36.115 0.300 1 605 57 57 MET CE C 17.206 0.300 1 606 57 57 MET CG C 32.249 0.300 1 607 57 57 MET N N 119.463 0.300 1 608 58 58 ALA H H 9.547 0.030 1 609 58 58 ALA HA H 4.890 0.030 1 610 58 58 ALA HB H 1.530 0.030 1 611 58 58 ALA C C 175.328 0.300 1 612 58 58 ALA CA C 50.829 0.300 1 613 58 58 ALA CB C 22.649 0.300 1 614 58 58 ALA N N 127.410 0.300 1 615 59 59 ARG H H 8.776 0.030 1 616 59 59 ARG HA H 5.567 0.030 1 617 59 59 ARG HB2 H 1.875 0.030 2 618 59 59 ARG HB3 H 1.795 0.030 2 619 59 59 ARG HD2 H 3.221 0.030 1 620 59 59 ARG HD3 H 3.221 0.030 1 621 59 59 ARG HG2 H 1.745 0.030 2 622 59 59 ARG HG3 H 1.604 0.030 2 623 59 59 ARG C C 176.336 0.300 1 624 59 59 ARG CA C 54.843 0.300 1 625 59 59 ARG CB C 33.691 0.300 1 626 59 59 ARG CD C 43.328 0.300 1 627 59 59 ARG CG C 28.130 0.300 1 628 59 59 ARG N N 119.945 0.300 1 629 60 60 SER H H 8.919 0.030 1 630 60 60 SER HA H 5.011 0.030 1 631 60 60 SER HB2 H 4.025 0.030 1 632 60 60 SER HB3 H 4.025 0.030 1 633 60 60 SER C C 174.614 0.300 1 634 60 60 SER CA C 56.752 0.300 1 635 60 60 SER CB C 66.198 0.300 1 636 60 60 SER N N 115.274 0.300 1 637 61 61 GLN H H 9.367 0.030 1 638 61 61 GLN HA H 4.556 0.030 1 639 61 61 GLN HB2 H 2.436 0.030 2 640 61 61 GLN HB3 H 2.191 0.030 2 641 61 61 GLN HE21 H 7.769 0.030 2 642 61 61 GLN HE22 H 6.970 0.030 2 643 61 61 GLN HG2 H 2.621 0.030 1 644 61 61 GLN HG3 H 2.621 0.030 1 645 61 61 GLN C C 175.391 0.300 1 646 61 61 GLN CA C 57.664 0.300 1 647 61 61 GLN CB C 29.763 0.300 1 648 61 61 GLN CG C 35.137 0.300 1 649 61 61 GLN N N 124.808 0.300 1 650 61 61 GLN NE2 N 112.332 0.300 1 651 62 62 THR H H 8.075 0.030 1 652 62 62 THR HA H 4.918 0.030 1 653 62 62 THR HB H 4.260 0.030 1 654 62 62 THR HG2 H 1.193 0.030 1 655 62 62 THR C C 173.106 0.300 1 656 62 62 THR CA C 59.369 0.300 1 657 62 62 THR CB C 70.607 0.300 1 658 62 62 THR CG2 C 20.548 0.300 1 659 62 62 THR N N 110.260 0.300 1 660 63 63 ASN H H 8.575 0.030 1 661 63 63 ASN HA H 3.457 0.030 1 662 63 63 ASN HB2 H 2.211 0.030 2 663 63 63 ASN HB3 H 1.886 0.030 2 664 63 63 ASN HD21 H 7.690 0.030 2 665 63 63 ASN HD22 H 6.554 0.030 2 666 63 63 ASN C C 172.343 0.300 1 667 63 63 ASN CA C 53.270 0.300 1 668 63 63 ASN CB C 34.441 0.300 1 669 63 63 ASN N N 119.090 0.300 1 670 63 63 ASN ND2 N 112.834 0.300 1 671 64 64 THR H H 6.850 0.030 1 672 64 64 THR HA H 4.296 0.030 1 673 64 64 THR HB H 3.670 0.030 1 674 64 64 THR HG2 H 0.809 0.030 1 675 64 64 THR C C 172.238 0.300 1 676 64 64 THR CA C 60.501 0.300 1 677 64 64 THR CB C 71.252 0.300 1 678 64 64 THR CG2 C 19.689 0.300 1 679 64 64 THR N N 111.612 0.300 1 680 65 65 ALA H H 8.619 0.030 1 681 65 65 ALA HA H 4.595 0.030 1 682 65 65 ALA HB H 1.422 0.030 1 683 65 65 ALA C C 174.046 0.300 1 684 65 65 ALA CA C 52.102 0.300 1 685 65 65 ALA CB C 22.427 0.300 1 686 65 65 ALA N N 124.370 0.300 1 687 66 66 ARG H H 8.533 0.030 1 688 66 66 ARG HA H 4.973 0.030 1 689 66 66 ARG HB2 H 1.703 0.030 2 690 66 66 ARG HB3 H 1.483 0.030 2 691 66 66 ARG HD2 H 3.036 0.030 2 692 66 66 ARG HD3 H 2.947 0.030 2 693 66 66 ARG HG2 H 1.332 0.030 2 694 66 66 ARG HG3 H 0.976 0.030 2 695 66 66 ARG C C 175.240 0.300 1 696 66 66 ARG CA C 54.560 0.300 1 697 66 66 ARG CB C 32.088 0.300 1 698 66 66 ARG CD C 43.319 0.300 1 699 66 66 ARG CG C 27.854 0.300 1 700 66 66 ARG N N 122.633 0.300 1 701 67 67 ILE H H 8.967 0.030 1 702 67 67 ILE HA H 4.013 0.030 1 703 67 67 ILE HB H 1.231 0.030 1 704 67 67 ILE HD1 H 0.106 0.030 1 705 67 67 ILE HG12 H 1.103 0.030 2 706 67 67 ILE HG13 H 0.613 0.030 2 707 67 67 ILE HG2 H 0.067 0.030 1 708 67 67 ILE C C 174.026 0.300 1 709 67 67 ILE CA C 60.377 0.300 1 710 67 67 ILE CB C 38.044 0.300 1 711 67 67 ILE CD1 C 12.472 0.300 1 712 67 67 ILE CG1 C 25.985 0.300 1 713 67 67 ILE CG2 C 17.581 0.300 1 714 67 67 ILE N N 128.560 0.300 1 715 68 68 ASP H H 8.117 0.030 1 716 68 68 ASP HA H 5.060 0.030 1 717 68 68 ASP HB2 H 2.612 0.030 2 718 68 68 ASP HB3 H 2.518 0.030 2 719 68 68 ASP C C 175.792 0.300 1 720 68 68 ASP CA C 52.474 0.300 1 721 68 68 ASP CB C 44.116 0.300 1 722 68 68 ASP N N 125.243 0.300 1 723 69 69 GLY H H 8.568 0.030 1 724 69 69 GLY HA2 H 3.951 0.030 2 725 69 69 GLY HA3 H 3.830 0.030 2 726 69 69 GLY C C 175.359 0.300 1 727 69 69 GLY CA C 46.356 0.300 1 728 69 69 GLY N N 105.736 0.300 1 729 70 70 LEU H H 7.982 0.030 1 730 70 70 LEU HA H 4.356 0.030 1 731 70 70 LEU HB2 H 1.418 0.030 2 732 70 70 LEU HB3 H 0.919 0.030 2 733 70 70 LEU HD1 H -0.126 0.030 1 734 70 70 LEU HD2 H 0.017 0.030 1 735 70 70 LEU HG H 0.937 0.030 1 736 70 70 LEU C C 175.151 0.300 1 737 70 70 LEU CA C 53.110 0.300 1 738 70 70 LEU CB C 40.992 0.300 1 739 70 70 LEU CD1 C 25.105 0.300 2 740 70 70 LEU CD2 C 19.646 0.300 2 741 70 70 LEU CG C 25.952 0.300 1 742 70 70 LEU N N 118.817 0.300 1 743 71 71 ARG H H 8.148 0.030 1 744 71 71 ARG HA H 4.922 0.030 1 745 71 71 ARG HB2 H 1.886 0.030 2 746 71 71 ARG HB3 H 1.702 0.030 2 747 71 71 ARG HD2 H 3.282 0.030 2 748 71 71 ARG HD3 H 3.231 0.030 2 749 71 71 ARG HG2 H 1.827 0.030 2 750 71 71 ARG HG3 H 1.701 0.030 2 751 71 71 ARG C C 174.419 0.300 1 752 71 71 ARG CA C 53.534 0.300 1 753 71 71 ARG CB C 32.001 0.300 1 754 71 71 ARG CD C 44.167 0.300 1 755 71 71 ARG CG C 27.183 0.300 1 756 71 71 ARG N N 118.182 0.300 1 757 72 72 PRO HA H 5.168 0.030 1 758 72 72 PRO HB2 H 2.366 0.030 2 759 72 72 PRO HB3 H 2.001 0.030 2 760 72 72 PRO HD2 H 3.778 0.030 2 761 72 72 PRO HD3 H 3.714 0.030 2 762 72 72 PRO HG2 H 2.127 0.030 2 763 72 72 PRO HG3 H 1.920 0.030 2 764 72 72 PRO C C 178.121 0.300 1 765 72 72 PRO CA C 63.416 0.300 1 766 72 72 PRO CB C 32.908 0.300 1 767 72 72 PRO CD C 51.283 0.300 1 768 72 72 PRO CG C 27.469 0.300 1 769 73 73 GLY H H 7.705 0.030 1 770 73 73 GLY HA2 H 3.856 0.030 2 771 73 73 GLY HA3 H 3.508 0.030 2 772 73 73 GLY C C 173.685 0.300 1 773 73 73 GLY CA C 46.731 0.300 1 774 73 73 GLY N N 112.669 0.300 1 775 74 74 MET H H 7.511 0.030 1 776 74 74 MET HA H 4.742 0.030 1 777 74 74 MET HB2 H 1.866 0.030 2 778 74 74 MET HB3 H 1.769 0.030 2 779 74 74 MET HE H 1.926 0.030 1 780 74 74 MET HG2 H 2.221 0.030 2 781 74 74 MET HG3 H 2.033 0.030 2 782 74 74 MET C C 173.525 0.300 1 783 74 74 MET CA C 53.216 0.300 1 784 74 74 MET CB C 33.610 0.300 1 785 74 74 MET CE C 16.512 0.300 1 786 74 74 MET CG C 32.578 0.300 1 787 74 74 MET N N 119.820 0.300 1 788 75 75 VAL H H 7.651 0.030 1 789 75 75 VAL HA H 4.361 0.030 1 790 75 75 VAL HB H 1.786 0.030 1 791 75 75 VAL HG1 H 0.876 0.030 1 792 75 75 VAL HG2 H 0.812 0.030 1 793 75 75 VAL C C 174.677 0.300 1 794 75 75 VAL CA C 61.581 0.300 1 795 75 75 VAL CB C 32.345 0.300 1 796 75 75 VAL CG1 C 21.352 0.300 2 797 75 75 VAL CG2 C 22.437 0.300 2 798 75 75 VAL N N 121.287 0.300 1 799 76 76 TYR H H 9.405 0.030 1 800 76 76 TYR HA H 4.743 0.030 1 801 76 76 TYR HB2 H 2.544 0.030 2 802 76 76 TYR HB3 H 2.418 0.030 2 803 76 76 TYR HD1 H 6.861 0.030 1 804 76 76 TYR HD2 H 6.861 0.030 1 805 76 76 TYR HE1 H 6.910 0.030 1 806 76 76 TYR HE2 H 6.910 0.030 1 807 76 76 TYR C C 174.740 0.300 1 808 76 76 TYR CA C 57.424 0.300 1 809 76 76 TYR CB C 41.151 0.300 1 810 76 76 TYR CD1 C 132.360 0.300 1 811 76 76 TYR CD2 C 132.360 0.300 1 812 76 76 TYR CE1 C 119.277 0.300 1 813 76 76 TYR CE2 C 119.277 0.300 1 814 76 76 TYR N N 126.231 0.300 1 815 77 77 VAL H H 8.867 0.030 1 816 77 77 VAL HA H 4.318 0.030 1 817 77 77 VAL HB H 0.325 0.030 1 818 77 77 VAL HG1 H 0.573 0.030 1 819 77 77 VAL HG2 H 0.573 0.030 1 820 77 77 VAL C C 175.773 0.300 1 821 77 77 VAL CA C 61.473 0.300 1 822 77 77 VAL CB C 31.218 0.300 1 823 77 77 VAL CG1 C 21.759 0.300 2 824 77 77 VAL CG2 C 21.376 0.300 2 825 77 77 VAL N N 123.699 0.300 1 826 78 78 VAL H H 8.683 0.030 1 827 78 78 VAL HA H 4.995 0.030 1 828 78 78 VAL HB H 1.893 0.030 1 829 78 78 VAL HG1 H 0.684 0.030 1 830 78 78 VAL HG2 H 0.844 0.030 1 831 78 78 VAL C C 175.275 0.300 1 832 78 78 VAL CA C 60.942 0.300 1 833 78 78 VAL CB C 34.790 0.300 1 834 78 78 VAL CG1 C 23.185 0.300 2 835 78 78 VAL CG2 C 21.372 0.300 2 836 78 78 VAL N N 124.155 0.300 1 837 79 79 GLN H H 8.613 0.030 1 838 79 79 GLN HA H 4.511 0.030 1 839 79 79 GLN HB2 H 2.266 0.030 2 840 79 79 GLN HB3 H 1.463 0.030 2 841 79 79 GLN HE21 H 8.422 0.030 2 842 79 79 GLN HE22 H 7.421 0.030 2 843 79 79 GLN HG2 H 2.360 0.030 2 844 79 79 GLN HG3 H 1.697 0.030 2 845 79 79 GLN C C 173.361 0.300 1 846 79 79 GLN CA C 54.666 0.300 1 847 79 79 GLN CB C 36.751 0.300 1 848 79 79 GLN CG C 36.580 0.300 1 849 79 79 GLN N N 121.693 0.300 1 850 79 79 GLN NE2 N 115.797 0.300 1 851 80 80 VAL H H 9.019 0.030 1 852 80 80 VAL HA H 5.801 0.030 1 853 80 80 VAL HB H 1.169 0.030 1 854 80 80 VAL HG1 H 0.020 0.030 1 855 80 80 VAL HG2 H 0.213 0.030 1 856 80 80 VAL C C 174.526 0.300 1 857 80 80 VAL CA C 58.750 0.300 1 858 80 80 VAL CB C 35.479 0.300 1 859 80 80 VAL CG1 C 21.909 0.300 2 860 80 80 VAL CG2 C 18.606 0.300 2 861 80 80 VAL N N 118.559 0.300 1 862 81 81 ARG H H 9.199 0.030 1 863 81 81 ARG HA H 4.951 0.030 1 864 81 81 ARG HB2 H 1.456 0.030 2 865 81 81 ARG HB3 H 0.693 0.030 2 866 81 81 ARG HD2 H 2.490 0.030 2 867 81 81 ARG HD3 H 0.675 0.030 2 868 81 81 ARG HE H 5.921 0.030 1 869 81 81 ARG HG2 H 1.565 0.030 2 870 81 81 ARG HG3 H 1.132 0.030 2 871 81 81 ARG C C 172.660 0.300 1 872 81 81 ARG CA C 54.295 0.300 1 873 81 81 ARG CB C 33.750 0.300 1 874 81 81 ARG CD C 43.208 0.300 1 875 81 81 ARG CG C 25.103 0.300 1 876 81 81 ARG N N 125.225 0.300 1 877 81 81 ARG NE N 83.856 0.300 1 878 82 82 ALA H H 8.762 0.030 1 879 82 82 ALA HA H 4.820 0.030 1 880 82 82 ALA HB H 1.334 0.030 1 881 82 82 ALA C C 174.783 0.300 1 882 82 82 ALA CA C 50.741 0.300 1 883 82 82 ALA CB C 22.383 0.300 1 884 82 82 ALA N N 124.292 0.300 1 885 83 83 ARG H H 8.336 0.030 1 886 83 83 ARG HA H 4.737 0.030 1 887 83 83 ARG HB2 H 1.914 0.030 2 888 83 83 ARG HB3 H 1.178 0.030 2 889 83 83 ARG HD2 H 2.904 0.030 2 890 83 83 ARG HD3 H 2.482 0.030 2 891 83 83 ARG HE H 8.818 0.030 1 892 83 83 ARG HG2 H 0.997 0.030 2 893 83 83 ARG HG3 H 0.448 0.030 2 894 83 83 ARG C C 175.290 0.300 1 895 83 83 ARG CA C 55.727 0.300 1 896 83 83 ARG CB C 34.562 0.300 1 897 83 83 ARG CD C 43.104 0.300 1 898 83 83 ARG CG C 28.926 0.300 1 899 83 83 ARG N N 121.023 0.300 1 900 83 83 ARG NE N 85.704 0.300 1 901 84 84 THR H H 8.485 0.030 1 902 84 84 THR HA H 4.875 0.030 1 903 84 84 THR HB H 4.462 0.030 1 904 84 84 THR HG2 H 0.920 0.030 1 905 84 84 THR C C 176.218 0.300 1 906 84 84 THR CA C 59.475 0.300 1 907 84 84 THR CB C 72.440 0.300 1 908 84 84 THR CG2 C 20.877 0.300 1 909 84 84 THR N N 116.374 0.300 1 910 85 85 VAL H H 9.283 0.030 1 911 85 85 VAL HA H 3.794 0.030 1 912 85 85 VAL HB H 2.159 0.030 1 913 85 85 VAL HG1 H 1.035 0.030 1 914 85 85 VAL HG2 H 1.013 0.030 1 915 85 85 VAL C C 175.930 0.300 1 916 85 85 VAL CA C 64.934 0.300 1 917 85 85 VAL CB C 31.621 0.300 1 918 85 85 VAL CG1 C 21.080 0.300 2 919 85 85 VAL CG2 C 20.777 0.300 2 920 85 85 VAL N N 119.099 0.300 1 921 86 86 ALA H H 7.840 0.030 1 922 86 86 ALA HA H 4.242 0.030 1 923 86 86 ALA HB H 1.211 0.030 1 924 86 86 ALA C C 177.467 0.300 1 925 86 86 ALA CA C 52.774 0.300 1 926 86 86 ALA CB C 19.733 0.300 1 927 86 86 ALA N N 121.263 0.300 1 928 87 87 GLY H H 7.365 0.030 1 929 87 87 GLY HA2 H 4.402 0.030 2 930 87 87 GLY HA3 H 3.588 0.030 2 931 87 87 GLY C C 171.960 0.300 1 932 87 87 GLY CA C 44.170 0.300 1 933 87 87 GLY N N 105.736 0.300 1 934 88 88 TYR H H 8.444 0.030 1 935 88 88 TYR HA H 5.063 0.030 1 936 88 88 TYR HB2 H 3.075 0.030 2 937 88 88 TYR HB3 H 2.608 0.030 2 938 88 88 TYR HD1 H 6.896 0.030 1 939 88 88 TYR HD2 H 6.896 0.030 1 940 88 88 TYR HE1 H 6.653 0.030 1 941 88 88 TYR HE2 H 6.653 0.030 1 942 88 88 TYR C C 179.239 0.300 1 943 88 88 TYR CA C 58.308 0.300 1 944 88 88 TYR CB C 41.442 0.300 1 945 88 88 TYR CD1 C 132.603 0.300 1 946 88 88 TYR CD2 C 132.603 0.300 1 947 88 88 TYR CE1 C 118.655 0.300 1 948 88 88 TYR CE2 C 118.655 0.300 1 949 88 88 TYR N N 116.996 0.300 1 950 89 89 GLY H H 8.676 0.030 1 951 89 89 GLY HA2 H 4.324 0.030 2 952 89 89 GLY HA3 H 3.973 0.030 2 953 89 89 GLY C C 173.844 0.300 1 954 89 89 GLY CA C 43.916 0.300 1 955 89 89 GLY N N 107.850 0.300 1 956 90 90 LYS H H 8.711 0.030 1 957 90 90 LYS HA H 4.166 0.030 1 958 90 90 LYS HB2 H 1.864 0.030 2 959 90 90 LYS HB3 H 1.734 0.030 2 960 90 90 LYS HD2 H 1.698 0.030 1 961 90 90 LYS HD3 H 1.698 0.030 1 962 90 90 LYS HE2 H 3.035 0.030 1 963 90 90 LYS HE3 H 3.035 0.030 1 964 90 90 LYS HG2 H 1.562 0.030 1 965 90 90 LYS HG3 H 1.562 0.030 1 966 90 90 LYS C C 177.819 0.300 1 967 90 90 LYS CA C 56.162 0.300 1 968 90 90 LYS CB C 32.730 0.300 1 969 90 90 LYS CD C 29.100 0.300 1 970 90 90 LYS CE C 42.291 0.300 1 971 90 90 LYS CG C 25.162 0.300 1 972 90 90 LYS N N 119.382 0.300 1 973 91 91 PHE H H 8.698 0.030 1 974 91 91 PHE HA H 4.241 0.030 1 975 91 91 PHE HB2 H 3.192 0.030 2 976 91 91 PHE HB3 H 2.799 0.030 2 977 91 91 PHE HD1 H 7.062 0.030 1 978 91 91 PHE HD2 H 7.062 0.030 1 979 91 91 PHE HE1 H 7.132 0.030 1 980 91 91 PHE HE2 H 7.132 0.030 1 981 91 91 PHE HZ H 7.025 0.030 1 982 91 91 PHE C C 176.805 0.300 1 983 91 91 PHE CA C 61.027 0.300 1 984 91 91 PHE CB C 39.995 0.300 1 985 91 91 PHE CD1 C 131.360 0.300 1 986 91 91 PHE CD2 C 131.360 0.300 1 987 91 91 PHE CE1 C 131.449 0.300 1 988 91 91 PHE CE2 C 131.449 0.300 1 989 91 91 PHE CZ C 129.376 0.300 1 990 91 91 PHE N N 120.691 0.300 1 991 92 92 SER H H 8.311 0.030 1 992 92 92 SER HA H 4.259 0.030 1 993 92 92 SER HB2 H 4.238 0.030 2 994 92 92 SER HB3 H 4.087 0.030 2 995 92 92 SER C C 173.499 0.300 1 996 92 92 SER CA C 58.146 0.300 1 997 92 92 SER CB C 65.329 0.300 1 998 92 92 SER N N 115.098 0.300 1 999 93 93 GLY H H 8.869 0.030 1 1000 93 93 GLY HA2 H 4.071 0.030 2 1001 93 93 GLY HA3 H 3.780 0.030 2 1002 93 93 GLY C C 174.375 0.300 1 1003 93 93 GLY CA C 45.331 0.300 1 1004 93 93 GLY N N 106.252 0.300 1 1005 94 94 LYS H H 8.619 0.030 1 1006 94 94 LYS HA H 3.633 0.030 1 1007 94 94 LYS HB2 H 1.634 0.030 2 1008 94 94 LYS HB3 H 1.488 0.030 2 1009 94 94 LYS HD2 H 1.619 0.030 1 1010 94 94 LYS HD3 H 1.619 0.030 1 1011 94 94 LYS HE2 H 2.960 0.030 2 1012 94 94 LYS HE3 H 2.741 0.030 2 1013 94 94 LYS HG2 H 1.523 0.030 2 1014 94 94 LYS HG3 H 1.031 0.030 2 1015 94 94 LYS C C 176.004 0.300 1 1016 94 94 LYS CA C 59.068 0.300 1 1017 94 94 LYS CB C 33.072 0.300 1 1018 94 94 LYS CD C 29.694 0.300 1 1019 94 94 LYS CE C 42.054 0.300 1 1020 94 94 LYS CG C 25.834 0.300 1 1021 94 94 LYS N N 122.645 0.300 1 1022 95 95 MET H H 7.547 0.030 1 1023 95 95 MET HA H 4.520 0.030 1 1024 95 95 MET HB2 H 1.791 0.030 1 1025 95 95 MET HB3 H 1.791 0.030 1 1026 95 95 MET HE H 2.192 0.030 1 1027 95 95 MET HG2 H 2.528 0.030 2 1028 95 95 MET HG3 H 2.475 0.030 2 1029 95 95 MET C C 173.400 0.300 1 1030 95 95 MET CA C 54.701 0.300 1 1031 95 95 MET CB C 37.784 0.300 1 1032 95 95 MET CE C 17.418 0.300 1 1033 95 95 MET CG C 33.088 0.300 1 1034 95 95 MET N N 122.392 0.300 1 1035 96 96 CYS H H 7.888 0.030 1 1036 96 96 CYS HA H 5.465 0.030 1 1037 96 96 CYS HB2 H 2.544 0.030 2 1038 96 96 CYS HB3 H 2.409 0.030 2 1039 96 96 CYS C C 173.757 0.300 1 1040 96 96 CYS CA C 57.353 0.300 1 1041 96 96 CYS CB C 29.941 0.300 1 1042 96 96 CYS N N 117.124 0.300 1 1043 97 97 PHE H H 9.133 0.030 1 1044 97 97 PHE HA H 4.879 0.030 1 1045 97 97 PHE HB2 H 3.338 0.030 2 1046 97 97 PHE HB3 H 2.315 0.030 2 1047 97 97 PHE HD1 H 7.195 0.030 1 1048 97 97 PHE HD2 H 7.195 0.030 1 1049 97 97 PHE HE1 H 7.150 0.030 1 1050 97 97 PHE HE2 H 7.150 0.030 1 1051 97 97 PHE HZ H 7.041 0.030 1 1052 97 97 PHE C C 173.309 0.300 1 1053 97 97 PHE CA C 56.983 0.300 1 1054 97 97 PHE CB C 44.074 0.300 1 1055 97 97 PHE CD1 C 132.619 0.300 1 1056 97 97 PHE CD2 C 132.619 0.300 1 1057 97 97 PHE CE1 C 131.046 0.300 1 1058 97 97 PHE CE2 C 131.046 0.300 1 1059 97 97 PHE CZ C 129.606 0.300 1 1060 97 97 PHE N N 121.239 0.300 1 1061 98 98 GLN H H 8.884 0.030 1 1062 98 98 GLN HA H 5.809 0.030 1 1063 98 98 GLN HB2 H 2.076 0.030 2 1064 98 98 GLN HB3 H 1.888 0.030 2 1065 98 98 GLN HE21 H 7.363 0.030 2 1066 98 98 GLN HE22 H 6.734 0.030 2 1067 98 98 GLN HG2 H 2.690 0.030 1 1068 98 98 GLN HG3 H 2.690 0.030 1 1069 98 98 GLN C C 176.454 0.300 1 1070 98 98 GLN CA C 54.125 0.300 1 1071 98 98 GLN CB C 33.444 0.300 1 1072 98 98 GLN CG C 33.387 0.300 1 1073 98 98 GLN N N 120.699 0.300 1 1074 98 98 GLN NE2 N 110.808 0.300 1 1075 99 99 THR H H 8.176 0.030 1 1076 99 99 THR HA H 4.324 0.030 1 1077 99 99 THR HB H 4.809 0.030 1 1078 99 99 THR HG2 H 1.077 0.030 1 1079 99 99 THR C C 175.929 0.300 1 1080 99 99 THR CA C 60.341 0.300 1 1081 99 99 THR CB C 70.070 0.300 1 1082 99 99 THR CG2 C 25.162 0.300 1 1083 99 99 THR N N 112.214 0.300 1 1084 100 100 LEU H H 7.368 0.030 1 1085 100 100 LEU HA H 4.310 0.030 1 1086 100 100 LEU HB2 H 1.686 0.030 2 1087 100 100 LEU HB3 H 1.225 0.030 2 1088 100 100 LEU HD1 H 0.933 0.030 1 1089 100 100 LEU HD2 H 0.852 0.030 1 1090 100 100 LEU HG H 1.284 0.030 1 1091 100 100 LEU C C 177.359 0.300 1 1092 100 100 LEU CA C 54.790 0.300 1 1093 100 100 LEU CB C 42.096 0.300 1 1094 100 100 LEU CD1 C 26.374 0.300 2 1095 100 100 LEU CD2 C 21.754 0.300 2 1096 100 100 LEU CG C 26.972 0.300 1 1097 100 100 LEU N N 117.018 0.300 1 1098 101 101 THR H H 7.997 0.030 1 1099 101 101 THR HA H 4.123 0.030 1 1100 101 101 THR HB H 4.197 0.030 1 1101 101 101 THR HG2 H 1.214 0.030 1 1102 101 101 THR C C 174.014 0.300 1 1103 101 101 THR CA C 61.968 0.300 1 1104 101 101 THR CB C 70.172 0.300 1 1105 101 101 THR CG2 C 21.939 0.300 1 1106 101 101 THR N N 110.428 0.300 1 1107 102 102 ASP H H 8.320 0.030 1 1108 102 102 ASP HA H 4.853 0.030 1 1109 102 102 ASP HB2 H 2.731 0.030 2 1110 102 102 ASP HB3 H 2.651 0.030 2 1111 102 102 ASP C C 176.204 0.300 1 1112 102 102 ASP CA C 53.694 0.300 1 1113 102 102 ASP CB C 41.808 0.300 1 1114 102 102 ASP N N 120.693 0.300 1 1115 103 103 SER H H 8.294 0.030 1 1116 103 103 SER HA H 4.486 0.030 1 1117 103 103 SER HB2 H 3.950 0.030 2 1118 103 103 SER HB3 H 3.847 0.030 2 1119 103 103 SER C C 174.875 0.300 1 1120 103 103 SER CA C 58.361 0.300 1 1121 103 103 SER CB C 63.942 0.300 1 1122 103 103 SER N N 117.442 0.300 1 1123 104 104 GLY H H 8.393 0.030 1 1124 104 104 GLY HA2 H 4.104 0.030 1 1125 104 104 GLY HA3 H 4.104 0.030 1 1126 104 104 GLY C C 172.016 0.300 1 1127 104 104 GLY CA C 44.800 0.300 1 1128 104 104 GLY N N 111.065 0.300 1 1129 105 105 PRO HA H 4.475 0.030 1 1130 105 105 PRO HB2 H 2.302 0.030 2 1131 105 105 PRO HB3 H 1.972 0.030 2 1132 105 105 PRO HD2 H 3.624 0.030 1 1133 105 105 PRO HD3 H 3.624 0.030 1 1134 105 105 PRO HG2 H 2.007 0.030 1 1135 105 105 PRO HG3 H 2.007 0.030 1 1136 105 105 PRO C C 177.464 0.300 1 1137 105 105 PRO CA C 63.329 0.300 1 1138 105 105 PRO CB C 32.249 0.300 1 1139 105 105 PRO CD C 49.835 0.300 1 1140 105 105 PRO CG C 27.173 0.300 1 1141 106 106 SER H H 8.514 0.030 1 1142 106 106 SER HA H 4.512 0.030 1 1143 106 106 SER HB2 H 3.907 0.030 1 1144 106 106 SER HB3 H 3.907 0.030 1 1145 106 106 SER C C 174.735 0.300 1 1146 106 106 SER CA C 58.361 0.300 1 1147 106 106 SER CB C 63.820 0.300 1 1148 106 106 SER N N 116.429 0.300 1 1149 107 107 SER H H 8.329 0.030 1 1150 107 107 SER HA H 4.512 0.030 1 1151 107 107 SER HB2 H 3.896 0.030 1 1152 107 107 SER HB3 H 3.896 0.030 1 1153 107 107 SER C C 174.004 0.300 1 1154 107 107 SER CA C 58.414 0.300 1 1155 107 107 SER CB C 64.014 0.300 1 1156 107 107 SER N N 117.919 0.300 1 1157 108 108 GLY H H 8.053 0.030 1 1158 108 108 GLY C C 179.008 0.300 1 1159 108 108 GLY CA C 46.250 0.300 1 1160 108 108 GLY N N 116.885 0.300 1 stop_ save_