data_10035 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Lectin C-type domain derived from a hypothetical protein from C. elegans ; _BMRB_accession_number 10035 _BMRB_flat_file_name bmr10035.str _Entry_type original _Submission_date 2006-11-01 _Accession_date 2006-11-01 _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 Kobayashi N. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Tochio N. . . 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" 852 "13C chemical shifts" 633 "15N chemical shifts" 165 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-13 original author . stop_ _Original_release_date 2008-08-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of Lectin C-type domain derived from a hypothetical protein from C. elegans ; _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 Kobayashi N. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Tochio N. . . 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 'Hypothetical protein yk1067a12' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Hypothetical protein yk1067a12' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Lectin C-type homologue domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 150 _Mol_residue_sequence ; GSSGSSGVKFLTVNDDILSM PQARNFCASAGGYLADDLGD DKNNFYSSIAANTQFWIGLF KNSDGQFYWDRGQGINPDLL NQPITYWANGEPSNDPTRQC VYFDGRSGDKSKVWTTDTCA TPRPFICQKHRYDSDHKPNT IGDASGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 VAL 9 LYS 10 PHE 11 LEU 12 THR 13 VAL 14 ASN 15 ASP 16 ASP 17 ILE 18 LEU 19 SER 20 MET 21 PRO 22 GLN 23 ALA 24 ARG 25 ASN 26 PHE 27 CYS 28 ALA 29 SER 30 ALA 31 GLY 32 GLY 33 TYR 34 LEU 35 ALA 36 ASP 37 ASP 38 LEU 39 GLY 40 ASP 41 ASP 42 LYS 43 ASN 44 ASN 45 PHE 46 TYR 47 SER 48 SER 49 ILE 50 ALA 51 ALA 52 ASN 53 THR 54 GLN 55 PHE 56 TRP 57 ILE 58 GLY 59 LEU 60 PHE 61 LYS 62 ASN 63 SER 64 ASP 65 GLY 66 GLN 67 PHE 68 TYR 69 TRP 70 ASP 71 ARG 72 GLY 73 GLN 74 GLY 75 ILE 76 ASN 77 PRO 78 ASP 79 LEU 80 LEU 81 ASN 82 GLN 83 PRO 84 ILE 85 THR 86 TYR 87 TRP 88 ALA 89 ASN 90 GLY 91 GLU 92 PRO 93 SER 94 ASN 95 ASP 96 PRO 97 THR 98 ARG 99 GLN 100 CYS 101 VAL 102 TYR 103 PHE 104 ASP 105 GLY 106 ARG 107 SER 108 GLY 109 ASP 110 LYS 111 SER 112 LYS 113 VAL 114 TRP 115 THR 116 THR 117 ASP 118 THR 119 CYS 120 ALA 121 THR 122 PRO 123 ARG 124 PRO 125 PHE 126 ILE 127 CYS 128 GLN 129 LYS 130 HIS 131 ARG 132 TYR 133 ASP 134 SER 135 ASP 136 HIS 137 LYS 138 PRO 139 ASN 140 THR 141 ILE 142 GLY 143 ASP 144 ALA 145 SER 146 GLY 147 PRO 148 SER 149 SER 150 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 1WK1 "Solution Structure Of Lectin C-Type Domain Derived From A Hypothetical Protein From C. Elegans" 100.00 150 100.00 100.00 1.39e-105 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 nematode 6239 Eukaryota Metazoa Caenorhabditis elegans 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 P030929-39 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 0.89 mM '[U-13C; U-15N]' Phosphate 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 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 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 0.901 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 refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _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_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . 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 6.0 0.05 pH pressure 1 0.001 atm temperature 298 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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 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 'Hypothetical protein yk1067a12' _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 1 1 GLY HA2 H 4.034 0.030 1 2 1 1 GLY HA3 H 4.034 0.030 1 3 1 1 GLY C C 174.459 0.300 1 4 1 1 GLY CA C 45.465 0.300 1 5 2 2 SER H H 8.303 0.030 1 6 2 2 SER HA H 4.489 0.030 1 7 2 2 SER HB2 H 3.892 0.030 1 8 2 2 SER HB3 H 3.892 0.030 1 9 2 2 SER C C 174.917 0.300 1 10 2 2 SER CA C 58.505 0.300 1 11 2 2 SER CB C 63.897 0.300 1 12 2 2 SER N N 115.858 0.300 1 13 3 3 SER H H 8.415 0.030 1 14 3 3 SER HA H 4.502 0.030 1 15 3 3 SER HB2 H 3.918 0.030 1 16 3 3 SER HB3 H 3.918 0.030 1 17 3 3 SER C C 174.926 0.300 1 18 3 3 SER CA C 58.752 0.300 1 19 3 3 SER CB C 63.961 0.300 1 20 3 3 SER N N 117.732 0.300 1 21 4 4 GLY H H 8.348 0.030 1 22 4 4 GLY C C 173.682 0.300 1 23 4 4 GLY CA C 45.148 0.300 1 24 4 4 GLY N N 110.551 0.300 1 25 7 7 GLY H H 8.342 0.030 1 26 7 7 GLY HA2 H 3.960 0.030 1 27 7 7 GLY HA3 H 3.960 0.030 1 28 7 7 GLY C C 173.668 0.300 1 29 7 7 GLY CA C 45.105 0.300 1 30 8 8 VAL H H 7.836 0.030 1 31 8 8 VAL HA H 3.820 0.030 1 32 8 8 VAL HB H 1.620 0.030 1 33 8 8 VAL HG1 H 0.334 0.030 1 34 8 8 VAL HG2 H 0.669 0.030 1 35 8 8 VAL C C 175.149 0.300 1 36 8 8 VAL CA C 62.717 0.300 1 37 8 8 VAL CB C 32.724 0.300 1 38 8 8 VAL CG1 C 20.731 0.300 2 39 8 8 VAL CG2 C 22.132 0.300 2 40 8 8 VAL N N 120.980 0.300 1 41 9 9 LYS H H 8.398 0.030 1 42 9 9 LYS HA H 4.398 0.030 1 43 9 9 LYS HB2 H 1.553 0.030 2 44 9 9 LYS HB3 H 1.631 0.030 2 45 9 9 LYS HG2 H 1.331 0.030 2 46 9 9 LYS HG3 H 1.410 0.030 2 47 9 9 LYS HD2 H 1.619 0.030 1 48 9 9 LYS HD3 H 1.619 0.030 1 49 9 9 LYS HE2 H 2.965 0.030 1 50 9 9 LYS HE3 H 2.965 0.030 1 51 9 9 LYS C C 176.525 0.300 1 52 9 9 LYS CA C 54.657 0.300 1 53 9 9 LYS CB C 33.017 0.300 1 54 9 9 LYS CG C 24.742 0.300 1 55 9 9 LYS CD C 29.135 0.300 1 56 9 9 LYS CE C 42.162 0.300 1 57 9 9 LYS N N 126.297 0.300 1 58 10 10 PHE H H 8.643 0.030 1 59 10 10 PHE HA H 4.269 0.030 1 60 10 10 PHE HB2 H 2.862 0.030 2 61 10 10 PHE HB3 H 3.092 0.030 2 62 10 10 PHE HD1 H 6.995 0.030 1 63 10 10 PHE HD2 H 6.995 0.030 1 64 10 10 PHE HE1 H 7.068 0.030 1 65 10 10 PHE HE2 H 7.068 0.030 1 66 10 10 PHE HZ H 7.228 0.030 1 67 10 10 PHE C C 175.453 0.300 1 68 10 10 PHE CA C 59.510 0.300 1 69 10 10 PHE CB C 40.133 0.300 1 70 10 10 PHE CD1 C 131.509 0.300 1 71 10 10 PHE CD2 C 131.509 0.300 1 72 10 10 PHE CE1 C 130.959 0.300 1 73 10 10 PHE CE2 C 130.959 0.300 1 74 10 10 PHE CZ C 130.025 0.300 1 75 10 10 PHE N N 123.290 0.300 1 76 11 11 LEU H H 9.450 0.030 1 77 11 11 LEU HA H 3.832 0.030 1 78 11 11 LEU HB2 H 1.806 0.030 2 79 11 11 LEU HB3 H 2.074 0.030 2 80 11 11 LEU HG H 1.823 0.030 1 81 11 11 LEU HD1 H 0.944 0.030 1 82 11 11 LEU HD2 H 0.814 0.030 1 83 11 11 LEU C C 173.833 0.300 1 84 11 11 LEU CA C 56.332 0.300 1 85 11 11 LEU CB C 38.838 0.300 1 86 11 11 LEU CG C 27.112 0.300 1 87 11 11 LEU CD1 C 22.941 0.300 2 88 11 11 LEU CD2 C 25.875 0.300 2 89 11 11 LEU N N 116.188 0.300 1 90 12 12 THR H H 7.358 0.030 1 91 12 12 THR HA H 4.383 0.030 1 92 12 12 THR HB H 3.779 0.030 1 93 12 12 THR HG2 H 1.040 0.030 1 94 12 12 THR C C 173.102 0.300 1 95 12 12 THR CA C 60.241 0.300 1 96 12 12 THR CB C 71.876 0.300 1 97 12 12 THR CG2 C 21.029 0.300 1 98 12 12 THR N N 107.527 0.300 1 99 13 13 VAL H H 8.703 0.030 1 100 13 13 VAL HA H 3.358 0.030 1 101 13 13 VAL HB H 1.765 0.030 1 102 13 13 VAL HG1 H 0.635 0.030 1 103 13 13 VAL HG2 H 0.254 0.030 1 104 13 13 VAL C C 175.380 0.300 1 105 13 13 VAL CA C 64.289 0.300 1 106 13 13 VAL CB C 31.062 0.300 1 107 13 13 VAL CG1 C 22.156 0.300 2 108 13 13 VAL CG2 C 21.552 0.300 2 109 13 13 VAL N N 125.508 0.300 1 110 14 14 ASN H H 8.266 0.030 1 111 14 14 ASN HA H 4.379 0.030 1 112 14 14 ASN HB2 H 1.687 0.030 2 113 14 14 ASN HB3 H 1.843 0.030 2 114 14 14 ASN HD21 H 6.300 0.030 2 115 14 14 ASN HD22 H 6.602 0.030 2 116 14 14 ASN C C 174.320 0.300 1 117 14 14 ASN CA C 53.087 0.300 1 118 14 14 ASN CB C 39.093 0.300 1 119 14 14 ASN N N 128.370 0.300 1 120 14 14 ASN ND2 N 113.012 0.300 1 121 15 15 ASP H H 8.243 0.030 1 122 15 15 ASP HA H 4.340 0.030 1 123 15 15 ASP HB2 H 2.602 0.030 1 124 15 15 ASP HB3 H 2.602 0.030 1 125 15 15 ASP C C 176.221 0.300 1 126 15 15 ASP CA C 55.104 0.300 1 127 15 15 ASP CB C 41.179 0.300 1 128 15 15 ASP N N 120.620 0.300 1 129 16 16 ASP H H 7.931 0.030 1 130 16 16 ASP HA H 4.592 0.030 1 131 16 16 ASP HB2 H 2.482 0.030 2 132 16 16 ASP HB3 H 2.530 0.030 2 133 16 16 ASP C C 174.174 0.300 1 134 16 16 ASP CA C 53.963 0.300 1 135 16 16 ASP CB C 40.383 0.300 1 136 16 16 ASP N N 120.856 0.300 1 137 17 17 ILE H H 7.328 0.030 1 138 17 17 ILE HA H 4.047 0.030 1 139 17 17 ILE HB H 1.373 0.030 1 140 17 17 ILE HG12 H 1.191 0.030 2 141 17 17 ILE HG13 H 1.495 0.030 2 142 17 17 ILE HG2 H 0.785 0.030 1 143 17 17 ILE HD1 H 0.781 0.030 1 144 17 17 ILE C C 175.733 0.300 1 145 17 17 ILE CA C 61.871 0.300 1 146 17 17 ILE CB C 38.150 0.300 1 147 17 17 ILE CG1 C 24.829 0.300 1 148 17 17 ILE CG2 C 18.418 0.300 1 149 17 17 ILE CD1 C 13.316 0.300 1 150 17 17 ILE N N 115.311 0.300 1 151 18 18 LEU H H 8.487 0.030 1 152 18 18 LEU HA H 4.930 0.030 1 153 18 18 LEU HB2 H 1.342 0.030 2 154 18 18 LEU HB3 H 1.620 0.030 2 155 18 18 LEU HG H 1.637 0.030 1 156 18 18 LEU HD1 H 0.433 0.030 1 157 18 18 LEU HD2 H 0.952 0.030 1 158 18 18 LEU C C 177.950 0.300 1 159 18 18 LEU CA C 53.585 0.300 1 160 18 18 LEU CB C 49.258 0.300 1 161 18 18 LEU CG C 26.001 0.300 1 162 18 18 LEU CD1 C 25.839 0.300 2 163 18 18 LEU CD2 C 22.599 0.300 2 164 18 18 LEU N N 123.404 0.300 1 165 19 19 SER H H 8.639 0.030 1 166 19 19 SER HA H 4.770 0.030 1 167 19 19 SER HB2 H 3.957 0.030 2 168 19 19 SER HB3 H 4.447 0.030 2 169 19 19 SER C C 173.297 0.300 1 170 19 19 SER CA C 58.082 0.300 1 171 19 19 SER CB C 63.749 0.300 1 172 19 19 SER N N 118.552 0.300 1 173 20 20 MET H H 8.333 0.030 1 174 20 20 MET HA H 3.262 0.030 1 175 20 20 MET HB2 H 0.158 0.030 2 176 20 20 MET HB3 H 1.744 0.030 2 177 20 20 MET HG2 H 2.079 0.030 2 178 20 20 MET HG3 H 2.491 0.030 2 179 20 20 MET HE H 1.810 0.030 1 180 20 20 MET C C 175.041 0.300 1 181 20 20 MET CA C 62.560 0.300 1 182 20 20 MET CB C 30.803 0.300 1 183 20 20 MET CG C 33.366 0.300 1 184 20 20 MET CE C 19.107 0.300 1 185 20 20 MET N N 120.938 0.300 1 186 21 21 PRO HA H 3.869 0.030 1 187 21 21 PRO HB2 H 1.693 0.030 2 188 21 21 PRO HB3 H 2.163 0.030 2 189 21 21 PRO HG2 H 1.799 0.030 2 190 21 21 PRO HG3 H 1.925 0.030 2 191 21 21 PRO HD2 H 3.328 0.030 2 192 21 21 PRO HD3 H 3.627 0.030 2 193 21 21 PRO C C 179.998 0.300 1 194 21 21 PRO CA C 66.099 0.300 1 195 21 21 PRO CB C 30.792 0.300 1 196 21 21 PRO CG C 27.953 0.300 1 197 21 21 PRO CD C 49.621 0.300 1 198 22 22 GLN H H 6.934 0.030 1 199 22 22 GLN HA H 4.096 0.030 1 200 22 22 GLN HB2 H 1.994 0.030 2 201 22 22 GLN HB3 H 2.220 0.030 2 202 22 22 GLN HG2 H 2.377 0.030 1 203 22 22 GLN HG3 H 2.377 0.030 1 204 22 22 GLN HE21 H 6.964 0.030 2 205 22 22 GLN HE22 H 7.569 0.030 2 206 22 22 GLN C C 178.876 0.300 1 207 22 22 GLN CA C 58.599 0.300 1 208 22 22 GLN CB C 29.492 0.300 1 209 22 22 GLN CG C 34.655 0.300 1 210 22 22 GLN N N 115.628 0.300 1 211 22 22 GLN NE2 N 112.501 0.300 1 212 23 23 ALA H H 8.848 0.030 1 213 23 23 ALA HA H 3.211 0.030 1 214 23 23 ALA HB H 0.822 0.030 1 215 23 23 ALA C C 178.182 0.300 1 216 23 23 ALA CA C 55.051 0.300 1 217 23 23 ALA CB C 17.717 0.300 1 218 23 23 ALA N N 128.048 0.300 1 219 24 24 ARG H H 9.175 0.030 1 220 24 24 ARG HA H 3.661 0.030 1 221 24 24 ARG HB2 H 1.934 0.030 1 222 24 24 ARG HB3 H 1.934 0.030 1 223 24 24 ARG HG2 H 1.657 0.030 2 224 24 24 ARG HG3 H 1.934 0.030 2 225 24 24 ARG HD2 H 2.616 0.030 2 226 24 24 ARG HD3 H 2.945 0.030 2 227 24 24 ARG HE H 6.881 0.030 1 228 24 24 ARG C C 180.094 0.300 1 229 24 24 ARG CA C 60.708 0.300 1 230 24 24 ARG CB C 30.854 0.300 1 231 24 24 ARG CG C 27.616 0.300 1 232 24 24 ARG CD C 44.130 0.300 1 233 24 24 ARG N N 119.253 0.300 1 234 24 24 ARG NE N 85.288 0.300 1 235 25 25 ASN H H 7.589 0.030 1 236 25 25 ASN HA H 4.487 0.030 1 237 25 25 ASN HB2 H 2.870 0.030 1 238 25 25 ASN HB3 H 2.870 0.030 1 239 25 25 ASN HD21 H 6.863 0.030 2 240 25 25 ASN HD22 H 7.636 0.030 2 241 25 25 ASN C C 177.219 0.300 1 242 25 25 ASN CA C 55.996 0.300 1 243 25 25 ASN CB C 38.150 0.300 1 244 25 25 ASN N N 118.018 0.300 1 245 25 25 ASN ND2 N 111.990 0.300 1 246 26 26 PHE H H 8.431 0.030 1 247 26 26 PHE HA H 4.152 0.030 1 248 26 26 PHE HB2 H 2.956 0.030 2 249 26 26 PHE HB3 H 3.275 0.030 2 250 26 26 PHE HD1 H 7.249 0.030 1 251 26 26 PHE HD2 H 7.249 0.030 1 252 26 26 PHE HE1 H 7.392 0.030 1 253 26 26 PHE HE2 H 7.392 0.030 1 254 26 26 PHE HZ H 7.332 0.030 1 255 26 26 PHE C C 179.461 0.300 1 256 26 26 PHE CA C 61.739 0.300 1 257 26 26 PHE CB C 39.008 0.300 1 258 26 26 PHE CD1 C 131.969 0.300 1 259 26 26 PHE CD2 C 131.969 0.300 1 260 26 26 PHE CE1 C 131.767 0.300 1 261 26 26 PHE CE2 C 131.767 0.300 1 262 26 26 PHE CZ C 130.413 0.300 1 263 26 26 PHE N N 124.844 0.300 1 264 27 27 CYS H H 9.109 0.030 1 265 27 27 CYS HA H 4.530 0.030 1 266 27 27 CYS HB2 H 2.724 0.030 2 267 27 27 CYS HB3 H 2.977 0.030 2 268 27 27 CYS C C 177.450 0.300 1 269 27 27 CYS CA C 55.597 0.300 1 270 27 27 CYS CB C 33.825 0.300 1 271 27 27 CYS N N 116.999 0.300 1 272 28 28 ALA H H 8.163 0.030 1 273 28 28 ALA HA H 4.709 0.030 1 274 28 28 ALA HB H 1.704 0.030 1 275 28 28 ALA C C 182.214 0.300 1 276 28 28 ALA CA C 55.016 0.300 1 277 28 28 ALA CB C 18.236 0.300 1 278 28 28 ALA N N 123.305 0.300 1 279 29 29 SER H H 8.467 0.030 1 280 29 29 SER HA H 4.259 0.030 1 281 29 29 SER HB2 H 3.947 0.030 1 282 29 29 SER HB3 H 3.947 0.030 1 283 29 29 SER C C 174.694 0.300 1 284 29 29 SER CA C 61.536 0.300 1 285 29 29 SER CB C 62.743 0.300 1 286 29 29 SER N N 117.936 0.300 1 287 30 30 ALA H H 7.115 0.030 1 288 30 30 ALA HA H 4.571 0.030 1 289 30 30 ALA HB H 1.423 0.030 1 290 30 30 ALA C C 176.988 0.300 1 291 30 30 ALA CA C 51.307 0.300 1 292 30 30 ALA CB C 19.578 0.300 1 293 30 30 ALA N N 121.766 0.300 1 294 31 31 GLY H H 8.037 0.030 1 295 31 31 GLY HA2 H 4.037 0.030 2 296 31 31 GLY HA3 H 4.346 0.030 2 297 31 31 GLY C C 174.786 0.300 1 298 31 31 GLY CA C 45.571 0.300 1 299 31 31 GLY N N 106.084 0.300 1 300 32 32 GLY H H 8.227 0.030 1 301 32 32 GLY HA2 H 3.796 0.030 2 302 32 32 GLY HA3 H 4.566 0.030 2 303 32 32 GLY C C 171.327 0.300 1 304 32 32 GLY CA C 44.883 0.300 1 305 32 32 GLY N N 108.680 0.300 1 306 33 33 TYR H H 8.631 0.030 1 307 33 33 TYR HA H 5.284 0.030 1 308 33 33 TYR HB2 H 2.832 0.030 2 309 33 33 TYR HB3 H 2.878 0.030 2 310 33 33 TYR HD1 H 6.854 0.030 1 311 33 33 TYR HD2 H 6.854 0.030 1 312 33 33 TYR HE1 H 6.371 0.030 1 313 33 33 TYR HE2 H 6.371 0.030 1 314 33 33 TYR C C 175.526 0.300 1 315 33 33 TYR CA C 55.286 0.300 1 316 33 33 TYR CB C 38.974 0.300 1 317 33 33 TYR CD1 C 134.979 0.300 1 318 33 33 TYR CD2 C 134.979 0.300 1 319 33 33 TYR CE1 C 116.990 0.300 1 320 33 33 TYR CE2 C 116.990 0.300 1 321 33 33 TYR N N 117.585 0.300 1 322 34 34 LEU H H 9.491 0.030 1 323 34 34 LEU HA H 4.937 0.030 1 324 34 34 LEU HB2 H 1.413 0.030 2 325 34 34 LEU HB3 H 2.251 0.030 2 326 34 34 LEU HG H 1.635 0.030 1 327 34 34 LEU HD1 H 0.970 0.030 1 328 34 34 LEU HD2 H 1.136 0.030 1 329 34 34 LEU C C 176.841 0.300 1 330 34 34 LEU CA C 56.421 0.300 1 331 34 34 LEU CB C 43.888 0.300 1 332 34 34 LEU CG C 28.627 0.300 1 333 34 34 LEU CD1 C 26.957 0.300 2 334 34 34 LEU CD2 C 25.015 0.300 2 335 34 34 LEU N N 123.059 0.300 1 336 35 35 ALA H H 8.215 0.030 1 337 35 35 ALA HA H 3.996 0.030 1 338 35 35 ALA HB H 1.682 0.030 1 339 35 35 ALA C C 176.500 0.300 1 340 35 35 ALA CA C 53.730 0.300 1 341 35 35 ALA CB C 21.895 0.300 1 342 35 35 ALA N N 122.122 0.300 1 343 36 36 ASP H H 7.573 0.030 1 344 36 36 ASP HA H 5.066 0.030 1 345 36 36 ASP HB2 H 0.811 0.030 2 346 36 36 ASP HB3 H 3.323 0.030 2 347 36 36 ASP C C 178.538 0.300 1 348 36 36 ASP CA C 51.492 0.300 1 349 36 36 ASP CB C 43.404 0.300 1 350 36 36 ASP N N 114.741 0.300 1 351 37 37 ASP H H 5.410 0.030 1 352 37 37 ASP HA H 5.244 0.030 1 353 37 37 ASP HB2 H 2.868 0.030 2 354 37 37 ASP HB3 H 3.873 0.030 2 355 37 37 ASP C C 174.059 0.300 1 356 37 37 ASP CA C 52.477 0.300 1 357 37 37 ASP CB C 38.331 0.300 1 358 37 37 ASP N N 117.952 0.300 1 359 38 38 LEU H H 9.000 0.030 1 360 38 38 LEU HA H 4.877 0.030 1 361 38 38 LEU HB2 H 1.598 0.030 1 362 38 38 LEU HB3 H 1.598 0.030 1 363 38 38 LEU HG H 1.205 0.030 1 364 38 38 LEU HD1 H 0.563 0.030 1 365 38 38 LEU HD2 H 0.350 0.030 1 366 38 38 LEU C C 177.657 0.300 1 367 38 38 LEU CA C 56.003 0.300 1 368 38 38 LEU CB C 41.572 0.300 1 369 38 38 LEU CG C 27.357 0.300 1 370 38 38 LEU CD1 C 25.184 0.300 2 371 38 38 LEU CD2 C 22.296 0.300 2 372 38 38 LEU N N 120.226 0.300 1 373 39 39 GLY H H 7.463 0.030 1 374 39 39 GLY HA2 H 4.185 0.030 2 375 39 39 GLY HA3 H 4.378 0.030 2 376 39 39 GLY C C 173.394 0.300 1 377 39 39 GLY CA C 45.906 0.300 1 378 39 39 GLY N N 104.230 0.300 1 379 40 40 ASP H H 8.462 0.030 1 380 40 40 ASP HA H 4.303 0.030 1 381 40 40 ASP HB2 H 2.601 0.030 1 382 40 40 ASP HB3 H 2.601 0.030 1 383 40 40 ASP C C 177.798 0.300 1 384 40 40 ASP CA C 57.864 0.300 1 385 40 40 ASP CB C 41.386 0.300 1 386 40 40 ASP N N 118.281 0.300 1 387 41 41 ASP H H 8.585 0.030 1 388 41 41 ASP HA H 4.349 0.030 1 389 41 41 ASP HB2 H 2.613 0.030 2 390 41 41 ASP HB3 H 2.664 0.030 2 391 41 41 ASP C C 179.339 0.300 1 392 41 41 ASP CA C 57.360 0.300 1 393 41 41 ASP CB C 39.345 0.300 1 394 41 41 ASP N N 118.321 0.300 1 395 42 42 LYS H H 7.908 0.030 1 396 42 42 LYS HA H 3.926 0.030 1 397 42 42 LYS HB2 H 1.599 0.030 2 398 42 42 LYS HB3 H 2.339 0.030 2 399 42 42 LYS HG2 H 1.145 0.030 2 400 42 42 LYS HG3 H 2.149 0.030 2 401 42 42 LYS HD2 H 1.222 0.030 2 402 42 42 LYS HD3 H 1.635 0.030 2 403 42 42 LYS HE2 H 2.872 0.030 2 404 42 42 LYS HE3 H 3.075 0.030 2 405 42 42 LYS C C 177.548 0.300 1 406 42 42 LYS CA C 56.743 0.300 1 407 42 42 LYS CB C 32.412 0.300 1 408 42 42 LYS CG C 22.018 0.300 1 409 42 42 LYS CD C 28.616 0.300 1 410 42 42 LYS CE C 41.493 0.300 1 411 42 42 LYS N N 123.529 0.300 1 412 43 43 ASN H H 8.548 0.030 1 413 43 43 ASN HA H 4.277 0.030 1 414 43 43 ASN HB2 H 2.442 0.030 2 415 43 43 ASN HB3 H 2.564 0.030 2 416 43 43 ASN HD21 H 6.608 0.030 2 417 43 43 ASN HD22 H 7.580 0.030 2 418 43 43 ASN C C 178.900 0.300 1 419 43 43 ASN CA C 59.515 0.300 1 420 43 43 ASN CB C 38.562 0.300 1 421 43 43 ASN N N 120.505 0.300 1 422 43 43 ASN ND2 N 116.578 0.300 1 423 44 44 ASN H H 9.000 0.030 1 424 44 44 ASN HA H 4.465 0.030 1 425 44 44 ASN HB2 H 2.816 0.030 2 426 44 44 ASN HB3 H 2.997 0.030 2 427 44 44 ASN HD21 H 7.089 0.030 2 428 44 44 ASN HD22 H 7.651 0.030 2 429 44 44 ASN C C 178.803 0.300 1 430 44 44 ASN CA C 55.446 0.300 1 431 44 44 ASN CB C 37.655 0.300 1 432 44 44 ASN N N 117.299 0.300 1 433 44 44 ASN ND2 N 113.097 0.300 1 434 45 45 PHE H H 7.652 0.030 1 435 45 45 PHE HA H 4.393 0.030 1 436 45 45 PHE HB2 H 3.219 0.030 2 437 45 45 PHE HB3 H 3.287 0.030 2 438 45 45 PHE HD1 H 6.898 0.030 1 439 45 45 PHE HD2 H 6.898 0.030 1 440 45 45 PHE HE1 H 7.177 0.030 1 441 45 45 PHE HE2 H 7.177 0.030 1 442 45 45 PHE HZ H 7.531 0.030 1 443 45 45 PHE C C 178.450 0.300 1 444 45 45 PHE CA C 60.902 0.300 1 445 45 45 PHE CB C 37.655 0.300 1 446 45 45 PHE CD1 C 131.725 0.300 1 447 45 45 PHE CD2 C 131.725 0.300 1 448 45 45 PHE CE1 C 131.334 0.300 1 449 45 45 PHE CE2 C 131.334 0.300 1 450 45 45 PHE CZ C 130.871 0.300 1 451 45 45 PHE N N 124.457 0.300 1 452 46 46 TYR H H 8.357 0.030 1 453 46 46 TYR HA H 3.905 0.030 1 454 46 46 TYR HB2 H 1.888 0.030 2 455 46 46 TYR HB3 H 2.797 0.030 2 456 46 46 TYR HD1 H 6.781 0.030 1 457 46 46 TYR HD2 H 6.781 0.030 1 458 46 46 TYR HE1 H 6.732 0.030 1 459 46 46 TYR HE2 H 6.732 0.030 1 460 46 46 TYR C C 178.206 0.300 1 461 46 46 TYR CA C 58.846 0.300 1 462 46 46 TYR CB C 37.450 0.300 1 463 46 46 TYR CD1 C 131.545 0.300 1 464 46 46 TYR CD2 C 131.545 0.300 1 465 46 46 TYR CE1 C 117.232 0.300 1 466 46 46 TYR CE2 C 117.232 0.300 1 467 46 46 TYR N N 120.328 0.300 1 468 47 47 SER H H 8.143 0.030 1 469 47 47 SER HA H 4.329 0.030 1 470 47 47 SER HB2 H 4.062 0.030 2 471 47 47 SER HB3 H 4.163 0.030 2 472 47 47 SER C C 175.904 0.300 1 473 47 47 SER CA C 61.941 0.300 1 474 47 47 SER CB C 63.105 0.300 1 475 47 47 SER N N 112.644 0.300 1 476 48 48 SER H H 7.702 0.030 1 477 48 48 SER HA H 4.435 0.030 1 478 48 48 SER HB2 H 3.986 0.030 1 479 48 48 SER HB3 H 3.986 0.030 1 480 48 48 SER C C 175.976 0.300 1 481 48 48 SER CA C 60.726 0.300 1 482 48 48 SER CB C 63.732 0.300 1 483 48 48 SER N N 115.267 0.300 1 484 49 49 ILE H H 7.270 0.030 1 485 49 49 ILE HA H 4.450 0.030 1 486 49 49 ILE HB H 1.835 0.030 1 487 49 49 ILE HG12 H 0.644 0.030 2 488 49 49 ILE HG13 H 0.853 0.030 2 489 49 49 ILE HG2 H 0.556 0.030 1 490 49 49 ILE HD1 H 0.445 0.030 1 491 49 49 ILE C C 177.048 0.300 1 492 49 49 ILE CA C 61.590 0.300 1 493 49 49 ILE CB C 39.742 0.300 1 494 49 49 ILE CG1 C 26.063 0.300 1 495 49 49 ILE CG2 C 18.386 0.300 1 496 49 49 ILE CD1 C 15.073 0.300 1 497 49 49 ILE N N 114.058 0.300 1 498 50 50 ALA H H 7.834 0.030 1 499 50 50 ALA HA H 4.078 0.030 1 500 50 50 ALA HB H 1.559 0.030 1 501 50 50 ALA C C 177.414 0.300 1 502 50 50 ALA CA C 53.811 0.300 1 503 50 50 ALA CB C 19.407 0.300 1 504 50 50 ALA N N 124.027 0.300 1 505 51 51 ALA H H 8.292 0.030 1 506 51 51 ALA HA H 4.051 0.030 1 507 51 51 ALA HB H 1.347 0.030 1 508 51 51 ALA C C 178.048 0.300 1 509 51 51 ALA CA C 53.606 0.300 1 510 51 51 ALA CB C 17.224 0.300 1 511 51 51 ALA N N 120.185 0.300 1 512 52 52 ASN H H 8.662 0.030 1 513 52 52 ASN HA H 4.183 0.030 1 514 52 52 ASN HB2 H 2.877 0.030 2 515 52 52 ASN HB3 H 3.053 0.030 2 516 52 52 ASN HD21 H 6.888 0.030 2 517 52 52 ASN HD22 H 7.546 0.030 2 518 52 52 ASN C C 174.296 0.300 1 519 52 52 ASN CA C 54.545 0.300 1 520 52 52 ASN CB C 38.345 0.300 1 521 52 52 ASN N N 113.218 0.300 1 522 52 52 ASN ND2 N 112.842 0.300 1 523 53 53 THR H H 8.006 0.030 1 524 53 53 THR HA H 4.502 0.030 1 525 53 53 THR HB H 4.210 0.030 1 526 53 53 THR HG2 H 1.303 0.030 1 527 53 53 THR C C 172.725 0.300 1 528 53 53 THR CA C 62.599 0.300 1 529 53 53 THR CB C 70.735 0.300 1 530 53 53 THR CG2 C 21.885 0.300 1 531 53 53 THR N N 113.829 0.300 1 532 54 54 GLN H H 8.461 0.030 1 533 54 54 GLN HA H 5.588 0.030 1 534 54 54 GLN HB2 H 1.880 0.030 2 535 54 54 GLN HB3 H 1.360 0.030 2 536 54 54 GLN HG2 H 2.245 0.030 2 537 54 54 GLN HG3 H 2.567 0.030 2 538 54 54 GLN HE21 H 6.923 0.030 2 539 54 54 GLN HE22 H 8.166 0.030 2 540 54 54 GLN C C 175.088 0.300 1 541 54 54 GLN CA C 53.938 0.300 1 542 54 54 GLN CB C 29.170 0.300 1 543 54 54 GLN CG C 33.089 0.300 1 544 54 54 GLN N N 121.783 0.300 1 545 54 54 GLN NE2 N 114.630 0.300 1 546 55 55 PHE H H 7.406 0.030 1 547 55 55 PHE HA H 5.086 0.030 1 548 55 55 PHE HB2 H 2.598 0.030 2 549 55 55 PHE HB3 H 2.739 0.030 2 550 55 55 PHE HD1 H 7.049 0.030 1 551 55 55 PHE HD2 H 7.049 0.030 1 552 55 55 PHE HE1 H 6.456 0.030 1 553 55 55 PHE HE2 H 6.456 0.030 1 554 55 55 PHE HZ H 5.628 0.030 1 555 55 55 PHE C C 174.393 0.300 1 556 55 55 PHE CA C 53.688 0.300 1 557 55 55 PHE CB C 42.023 0.300 1 558 55 55 PHE CD1 C 133.035 0.300 1 559 55 55 PHE CD2 C 133.035 0.300 1 560 55 55 PHE CE1 C 130.679 0.300 1 561 55 55 PHE CE2 C 130.679 0.300 1 562 55 55 PHE CZ C 129.228 0.300 1 563 55 55 PHE N N 115.815 0.300 1 564 56 56 TRP H H 9.677 0.030 1 565 56 56 TRP HA H 5.371 0.030 1 566 56 56 TRP HB2 H 3.401 0.030 2 567 56 56 TRP HB3 H 3.595 0.030 2 568 56 56 TRP HD1 H 7.133 0.030 1 569 56 56 TRP HE1 H 10.064 0.030 1 570 56 56 TRP HE3 H 8.303 0.030 1 571 56 56 TRP HZ2 H 8.766 0.030 1 572 56 56 TRP HZ3 H 6.950 0.030 1 573 56 56 TRP HH2 H 7.661 0.030 1 574 56 56 TRP C C 176.644 0.300 1 575 56 56 TRP CA C 58.646 0.300 1 576 56 56 TRP CB C 32.151 0.300 1 577 56 56 TRP CD1 C 127.264 0.300 1 578 56 56 TRP CE3 C 121.074 0.300 1 579 56 56 TRP CZ2 C 118.091 0.300 1 580 56 56 TRP CZ3 C 122.124 0.300 1 581 56 56 TRP CH2 C 125.549 0.300 1 582 56 56 TRP N N 121.589 0.300 1 583 56 56 TRP NE1 N 130.061 0.300 1 584 57 57 ILE H H 8.126 0.030 1 585 57 57 ILE HA H 5.165 0.030 1 586 57 57 ILE HB H 2.508 0.030 1 587 57 57 ILE HG12 H 1.106 0.030 2 588 57 57 ILE HG13 H 1.261 0.030 2 589 57 57 ILE HG2 H 1.037 0.030 1 590 57 57 ILE HD1 H 0.566 0.030 1 591 57 57 ILE C C 176.454 0.300 1 592 57 57 ILE CA C 60.126 0.300 1 593 57 57 ILE CB C 42.057 0.300 1 594 57 57 ILE CG1 C 25.894 0.300 1 595 57 57 ILE CG2 C 19.166 0.300 1 596 57 57 ILE CD1 C 13.975 0.300 1 597 57 57 ILE N N 110.439 0.300 1 598 58 58 GLY H H 9.575 0.030 1 599 58 58 GLY HA2 H 4.216 0.030 2 600 58 58 GLY HA3 H 4.286 0.030 2 601 58 58 GLY C C 172.688 0.300 1 602 58 58 GLY CA C 47.737 0.300 1 603 58 58 GLY N N 104.652 0.300 1 604 59 59 LEU H H 6.305 0.030 1 605 59 59 LEU HA H 4.640 0.030 1 606 59 59 LEU HB2 H 0.281 0.030 2 607 59 59 LEU HB3 H 0.903 0.030 2 608 59 59 LEU HG H 0.859 0.030 1 609 59 59 LEU HD1 H -0.893 0.030 1 610 59 59 LEU HD2 H -0.862 0.030 1 611 59 59 LEU C C 175.782 0.300 1 612 59 59 LEU CA C 53.007 0.300 1 613 59 59 LEU CB C 42.599 0.300 1 614 59 59 LEU CG C 25.926 0.300 1 615 59 59 LEU CD1 C 21.942 0.300 2 616 59 59 LEU CD2 C 26.137 0.300 2 617 59 59 LEU N N 122.552 0.300 1 618 60 60 PHE H H 9.588 0.030 1 619 60 60 PHE HA H 5.472 0.030 1 620 60 60 PHE HB2 H 2.997 0.030 2 621 60 60 PHE HB3 H 3.163 0.030 2 622 60 60 PHE HD1 H 7.185 0.030 1 623 60 60 PHE HD2 H 7.185 0.030 1 624 60 60 PHE HE1 H 6.931 0.030 1 625 60 60 PHE HE2 H 6.931 0.030 1 626 60 60 PHE HZ H 6.931 0.030 1 627 60 60 PHE C C 172.286 0.300 1 628 60 60 PHE CA C 56.120 0.300 1 629 60 60 PHE CB C 41.981 0.300 1 630 60 60 PHE CD1 C 133.368 0.300 1 631 60 60 PHE CD2 C 133.368 0.300 1 632 60 60 PHE CE1 C 129.704 0.300 1 633 60 60 PHE CE2 C 129.704 0.300 1 634 60 60 PHE CZ C 129.576 0.300 1 635 60 60 PHE N N 122.737 0.300 1 636 61 61 LYS H H 9.143 0.030 1 637 61 61 LYS HA H 3.895 0.030 1 638 61 61 LYS HB2 H 1.036 0.030 2 639 61 61 LYS HB3 H 1.487 0.030 2 640 61 61 LYS HG2 H 0.214 0.030 2 641 61 61 LYS HG3 H 1.137 0.030 2 642 61 61 LYS HD2 H 1.334 0.030 2 643 61 61 LYS HD3 H 1.474 0.030 2 644 61 61 LYS HE2 H 2.682 0.030 2 645 61 61 LYS HE3 H 2.716 0.030 2 646 61 61 LYS C C 175.794 0.300 1 647 61 61 LYS CA C 55.545 0.300 1 648 61 61 LYS CB C 34.072 0.300 1 649 61 61 LYS CG C 24.686 0.300 1 650 61 61 LYS CD C 29.860 0.300 1 651 61 61 LYS CE C 42.070 0.300 1 652 61 61 LYS N N 123.006 0.300 1 653 62 62 ASN H H 8.734 0.030 1 654 62 62 ASN HA H 5.050 0.030 1 655 62 62 ASN HB2 H 2.542 0.030 2 656 62 62 ASN HB3 H 3.350 0.030 2 657 62 62 ASN HD21 H 5.284 0.030 2 658 62 62 ASN HD22 H 6.935 0.030 2 659 62 62 ASN C C 177.183 0.300 1 660 62 62 ASN CA C 50.734 0.300 1 661 62 62 ASN CB C 41.651 0.300 1 662 62 62 ASN N N 126.242 0.300 1 663 62 62 ASN ND2 N 109.230 0.300 1 664 63 63 SER H H 8.638 0.030 1 665 63 63 SER HA H 4.166 0.030 1 666 63 63 SER HB2 H 3.950 0.030 1 667 63 63 SER HB3 H 3.950 0.030 1 668 63 63 SER C C 174.284 0.300 1 669 63 63 SER CA C 60.912 0.300 1 670 63 63 SER CB C 62.743 0.300 1 671 63 63 SER N N 116.778 0.300 1 672 64 64 ASP H H 7.892 0.030 1 673 64 64 ASP HA H 4.502 0.030 1 674 64 64 ASP HB2 H 2.691 0.030 2 675 64 64 ASP HB3 H 3.053 0.030 2 676 64 64 ASP C C 177.049 0.300 1 677 64 64 ASP CA C 53.513 0.300 1 678 64 64 ASP CB C 39.908 0.300 1 679 64 64 ASP N N 119.219 0.300 1 680 65 65 GLY H H 8.224 0.030 1 681 65 65 GLY HA2 H 3.460 0.030 2 682 65 65 GLY HA3 H 4.202 0.030 2 683 65 65 GLY C C 173.261 0.300 1 684 65 65 GLY CA C 45.430 0.300 1 685 65 65 GLY N N 108.098 0.300 1 686 66 66 GLN H H 8.010 0.030 1 687 66 66 GLN HA H 4.526 0.030 1 688 66 66 GLN HB2 H 1.950 0.030 2 689 66 66 GLN HB3 H 2.084 0.030 2 690 66 66 GLN HG2 H 2.008 0.030 2 691 66 66 GLN HG3 H 2.196 0.030 2 692 66 66 GLN HE21 H 6.863 0.030 2 693 66 66 GLN HE22 H 7.396 0.030 2 694 66 66 GLN C C 174.113 0.300 1 695 66 66 GLN CA C 53.853 0.300 1 696 66 66 GLN CB C 30.659 0.300 1 697 66 66 GLN CG C 34.673 0.300 1 698 66 66 GLN N N 118.731 0.300 1 699 66 66 GLN NE2 N 112.246 0.300 1 700 67 67 PHE H H 8.737 0.030 1 701 67 67 PHE HA H 5.029 0.030 1 702 67 67 PHE HB2 H 2.488 0.030 2 703 67 67 PHE HB3 H 2.768 0.030 2 704 67 67 PHE HD1 H 7.050 0.030 1 705 67 67 PHE HD2 H 7.050 0.030 1 706 67 67 PHE HE1 H 7.085 0.030 1 707 67 67 PHE HE2 H 7.085 0.030 1 708 67 67 PHE HZ H 7.282 0.030 1 709 67 67 PHE C C 174.552 0.300 1 710 67 67 PHE CA C 58.117 0.300 1 711 67 67 PHE CB C 40.734 0.300 1 712 67 67 PHE CD1 C 131.592 0.300 1 713 67 67 PHE CD2 C 131.592 0.300 1 714 67 67 PHE CE1 C 131.473 0.300 1 715 67 67 PHE CE2 C 131.473 0.300 1 716 67 67 PHE CZ C 130.018 0.300 1 717 67 67 PHE N N 119.559 0.300 1 718 68 68 TYR H H 8.764 0.030 1 719 68 68 TYR HA H 4.700 0.030 1 720 68 68 TYR HB2 H 1.699 0.030 2 721 68 68 TYR HB3 H 2.346 0.030 2 722 68 68 TYR HD1 H 6.690 0.030 1 723 68 68 TYR HD2 H 6.690 0.030 1 724 68 68 TYR HE1 H 7.157 0.030 1 725 68 68 TYR HE2 H 7.157 0.030 1 726 68 68 TYR C C 173.273 0.300 1 727 68 68 TYR CA C 55.456 0.300 1 728 68 68 TYR CB C 43.930 0.300 1 729 68 68 TYR CD1 C 133.035 0.300 1 730 68 68 TYR CD2 C 133.035 0.300 1 731 68 68 TYR CE1 C 118.647 0.300 1 732 68 68 TYR CE2 C 118.647 0.300 1 733 68 68 TYR N N 118.613 0.300 1 734 69 69 TRP H H 9.573 0.030 1 735 69 69 TRP HA H 5.226 0.030 1 736 69 69 TRP HB2 H 2.773 0.030 2 737 69 69 TRP HB3 H 3.528 0.030 2 738 69 69 TRP HD1 H 6.989 0.030 1 739 69 69 TRP HE1 H 10.256 0.030 1 740 69 69 TRP HE3 H 7.831 0.030 1 741 69 69 TRP HZ2 H 7.499 0.030 1 742 69 69 TRP HZ3 H 6.808 0.030 1 743 69 69 TRP HH2 H 6.538 0.030 1 744 69 69 TRP C C 177.463 0.300 1 745 69 69 TRP CA C 54.664 0.300 1 746 69 69 TRP CB C 31.064 0.300 1 747 69 69 TRP CD1 C 128.592 0.300 1 748 69 69 TRP CE3 C 123.321 0.300 1 749 69 69 TRP CZ2 C 116.368 0.300 1 750 69 69 TRP CZ3 C 120.473 0.300 1 751 69 69 TRP CH2 C 122.036 0.300 1 752 69 69 TRP N N 117.468 0.300 1 753 69 69 TRP NE1 N 131.232 0.300 1 754 70 70 ASP H H 9.358 0.030 1 755 70 70 ASP HA H 4.508 0.030 1 756 70 70 ASP HB2 H 2.936 0.030 2 757 70 70 ASP HB3 H 3.172 0.030 2 758 70 70 ASP C C 176.967 0.300 1 759 70 70 ASP CA C 56.298 0.300 1 760 70 70 ASP CB C 43.135 0.300 1 761 70 70 ASP N N 121.666 0.300 1 762 71 71 ARG H H 8.909 0.030 1 763 71 71 ARG HA H 3.664 0.030 1 764 71 71 ARG HB2 H 1.360 0.030 2 765 71 71 ARG HB3 H 1.703 0.030 2 766 71 71 ARG HG2 H 1.535 0.030 2 767 71 71 ARG HG3 H 1.785 0.030 2 768 71 71 ARG HD2 H 2.584 0.030 2 769 71 71 ARG HD3 H 2.943 0.030 2 770 71 71 ARG HE H 8.263 0.030 1 771 71 71 ARG C C 175.100 0.300 1 772 71 71 ARG CA C 53.501 0.300 1 773 71 71 ARG CB C 31.723 0.300 1 774 71 71 ARG CG C 27.031 0.300 1 775 71 71 ARG CD C 42.802 0.300 1 776 71 71 ARG N N 126.084 0.300 1 777 71 71 ARG NE N 87.218 0.300 1 778 72 72 GLY H H 8.250 0.030 1 779 72 72 GLY HA2 H 4.251 0.030 2 780 72 72 GLY HA3 H 4.561 0.030 2 781 72 72 GLY C C 175.453 0.300 1 782 72 72 GLY CA C 44.091 0.300 1 783 72 72 GLY N N 109.371 0.300 1 784 73 73 GLN H H 8.353 0.030 1 785 73 73 GLN HA H 4.220 0.030 1 786 73 73 GLN HB2 H 2.012 0.030 2 787 73 73 GLN HB3 H 2.063 0.030 2 788 73 73 GLN HG2 H 2.332 0.030 1 789 73 73 GLN HG3 H 2.332 0.030 1 790 73 73 GLN HE21 H 7.506 0.030 2 791 73 73 GLN HE22 H 6.838 0.030 2 792 73 73 GLN C C 177.500 0.300 1 793 73 73 GLN CA C 57.078 0.300 1 794 73 73 GLN CB C 29.128 0.300 1 795 73 73 GLN CG C 33.584 0.300 1 796 73 73 GLN N N 119.558 0.300 1 797 73 73 GLN NE2 N 111.715 0.300 1 798 74 74 GLY H H 9.054 0.030 1 799 74 74 GLY HA2 H 3.730 0.030 2 800 74 74 GLY HA3 H 4.035 0.030 2 801 74 74 GLY C C 172.944 0.300 1 802 74 74 GLY CA C 45.782 0.300 1 803 74 74 GLY N N 114.494 0.300 1 804 75 75 ILE H H 7.058 0.030 1 805 75 75 ILE HA H 4.224 0.030 1 806 75 75 ILE HB H 1.368 0.030 1 807 75 75 ILE HG12 H 1.028 0.030 2 808 75 75 ILE HG13 H 1.322 0.030 2 809 75 75 ILE HG2 H 0.890 0.030 1 810 75 75 ILE HD1 H 0.753 0.030 1 811 75 75 ILE C C 175.964 0.300 1 812 75 75 ILE CA C 58.593 0.300 1 813 75 75 ILE CB C 38.810 0.300 1 814 75 75 ILE CG1 C 27.115 0.300 1 815 75 75 ILE CG2 C 17.693 0.300 1 816 75 75 ILE CD1 C 11.396 0.300 1 817 75 75 ILE N N 120.370 0.300 1 818 76 76 ASN H H 8.929 0.030 1 819 76 76 ASN HA H 4.695 0.030 1 820 76 76 ASN HB2 H 2.722 0.030 2 821 76 76 ASN HB3 H 2.890 0.030 2 822 76 76 ASN HD21 H 7.013 0.030 2 823 76 76 ASN HD22 H 7.762 0.030 2 824 76 76 ASN C C 172.613 0.300 1 825 76 76 ASN CA C 52.302 0.300 1 826 76 76 ASN CB C 37.221 0.300 1 827 76 76 ASN N N 128.828 0.300 1 828 76 76 ASN ND2 N 113.268 0.300 1 829 77 77 PRO HA H 4.642 0.030 1 830 77 77 PRO HB2 H 1.949 0.030 2 831 77 77 PRO HB3 H 2.390 0.030 2 832 77 77 PRO HG2 H 1.813 0.030 2 833 77 77 PRO HG3 H 2.033 0.030 2 834 77 77 PRO HD2 H 3.664 0.030 2 835 77 77 PRO HD3 H 3.936 0.030 2 836 77 77 PRO CA C 62.879 0.300 1 837 77 77 PRO CB C 33.433 0.300 1 838 77 77 PRO CG C 27.139 0.300 1 839 77 77 PRO CD C 50.500 0.300 1 840 78 78 ASP H H 8.008 0.030 1 841 78 78 ASP HA H 5.318 0.030 1 842 78 78 ASP HB2 H 2.522 0.030 2 843 78 78 ASP HB3 H 2.935 0.030 2 844 78 78 ASP C C 175.354 0.300 1 845 78 78 ASP CA C 53.165 0.300 1 846 78 78 ASP CB C 44.022 0.300 1 847 78 78 ASP N N 120.150 0.300 1 848 79 79 LEU H H 8.627 0.030 1 849 79 79 LEU HA H 3.331 0.030 1 850 79 79 LEU HB2 H 1.254 0.030 2 851 79 79 LEU HB3 H 1.460 0.030 2 852 79 79 LEU HG H 1.487 0.030 1 853 79 79 LEU HD1 H 0.465 0.030 1 854 79 79 LEU HD2 H 0.698 0.030 1 855 79 79 LEU C C 176.488 0.300 1 856 79 79 LEU CA C 55.653 0.300 1 857 79 79 LEU CB C 43.299 0.300 1 858 79 79 LEU CG C 26.006 0.300 1 859 79 79 LEU CD1 C 23.101 0.300 2 860 79 79 LEU CD2 C 25.867 0.300 2 861 79 79 LEU N N 126.107 0.300 1 862 80 80 LEU H H 8.137 0.030 1 863 80 80 LEU HA H 4.325 0.030 1 864 80 80 LEU HB2 H 0.683 0.030 2 865 80 80 LEU HB3 H 1.742 0.030 2 866 80 80 LEU HG H 1.693 0.030 1 867 80 80 LEU HD1 H 1.006 0.030 1 868 80 80 LEU HD2 H 1.072 0.030 1 869 80 80 LEU C C 176.001 0.300 1 870 80 80 LEU CA C 56.360 0.300 1 871 80 80 LEU CB C 40.997 0.300 1 872 80 80 LEU CG C 27.145 0.300 1 873 80 80 LEU CD1 C 24.191 0.300 2 874 80 80 LEU CD2 C 27.092 0.300 2 875 80 80 LEU N N 126.029 0.300 1 876 81 81 ASN H H 9.634 0.030 1 877 81 81 ASN HA H 4.813 0.030 1 878 81 81 ASN HB2 H 2.722 0.030 2 879 81 81 ASN HB3 H 2.812 0.030 2 880 81 81 ASN HD21 H 6.801 0.030 2 881 81 81 ASN HD22 H 7.611 0.030 2 882 81 81 ASN C C 172.834 0.300 1 883 81 81 ASN CA C 53.343 0.300 1 884 81 81 ASN CB C 37.408 0.300 1 885 81 81 ASN N N 129.860 0.300 1 886 81 81 ASN ND2 N 110.968 0.300 1 887 82 82 GLN H H 8.588 0.030 1 888 82 82 GLN HA H 5.145 0.030 1 889 82 82 GLN HB2 H 2.459 0.030 1 890 82 82 GLN HB3 H 2.459 0.030 1 891 82 82 GLN HG2 H 2.135 0.030 1 892 82 82 GLN HG3 H 2.135 0.030 1 893 82 82 GLN HE21 H 8.086 0.030 2 894 82 82 GLN HE22 H 8.173 0.030 2 895 82 82 GLN C C 173.730 0.300 1 896 82 82 GLN CA C 52.937 0.300 1 897 82 82 GLN CB C 29.718 0.300 1 898 82 82 GLN CG C 31.685 0.300 1 899 82 82 GLN N N 120.402 0.300 1 900 82 82 GLN NE2 N 109.219 0.300 1 901 83 83 PRO HA H 4.368 0.030 1 902 83 83 PRO HB2 H 1.998 0.030 2 903 83 83 PRO HB3 H 2.378 0.030 2 904 83 83 PRO HG2 H 2.132 0.030 1 905 83 83 PRO HG3 H 2.132 0.030 1 906 83 83 PRO HD2 H 3.816 0.030 2 907 83 83 PRO HD3 H 3.948 0.030 2 908 83 83 PRO CA C 64.847 0.300 1 909 83 83 PRO CB C 32.293 0.300 1 910 83 83 PRO CG C 27.596 0.300 1 911 83 83 PRO CD C 50.719 0.300 1 912 84 84 ILE H H 7.327 0.030 1 913 84 84 ILE HA H 4.313 0.030 1 914 84 84 ILE HB H 1.634 0.030 1 915 84 84 ILE HG12 H 0.975 0.030 2 916 84 84 ILE HG13 H 1.377 0.030 2 917 84 84 ILE HG2 H 0.507 0.030 1 918 84 84 ILE HD1 H 0.874 0.030 1 919 84 84 ILE C C 175.232 0.300 1 920 84 84 ILE CA C 60.021 0.300 1 921 84 84 ILE CB C 39.944 0.300 1 922 84 84 ILE CG1 C 27.014 0.300 1 923 84 84 ILE CG2 C 18.012 0.300 1 924 84 84 ILE CD1 C 13.069 0.300 1 925 84 84 ILE N N 116.189 0.300 1 926 85 85 THR H H 8.106 0.030 1 927 85 85 THR HA H 3.528 0.030 1 928 85 85 THR HB H 3.738 0.030 1 929 85 85 THR HG2 H 1.257 0.030 1 930 85 85 THR C C 172.822 0.300 1 931 85 85 THR CA C 58.991 0.300 1 932 85 85 THR CB C 70.631 0.300 1 933 85 85 THR CG2 C 21.555 0.300 1 934 85 85 THR N N 115.940 0.300 1 935 86 86 TYR H H 2.575 0.030 1 936 86 86 TYR HA H 4.680 0.030 1 937 86 86 TYR HB2 H -0.168 0.030 2 938 86 86 TYR HB3 H 2.574 0.030 2 939 86 86 TYR HD1 H 6.540 0.030 1 940 86 86 TYR HD2 H 6.540 0.030 1 941 86 86 TYR HE1 H 6.224 0.030 1 942 86 86 TYR HE2 H 6.224 0.030 1 943 86 86 TYR C C 175.867 0.300 1 944 86 86 TYR CA C 55.703 0.300 1 945 86 86 TYR CB C 36.914 0.300 1 946 86 86 TYR CD1 C 132.494 0.300 1 947 86 86 TYR CD2 C 132.494 0.300 1 948 86 86 TYR CE1 C 116.997 0.300 1 949 86 86 TYR CE2 C 116.997 0.300 1 950 86 86 TYR N N 114.094 0.300 1 951 87 87 TRP H H 7.261 0.030 1 952 87 87 TRP HA H 4.709 0.030 1 953 87 87 TRP HB2 H 2.946 0.030 2 954 87 87 TRP HB3 H 3.302 0.030 2 955 87 87 TRP HD1 H 7.217 0.030 1 956 87 87 TRP HE1 H 10.354 0.030 1 957 87 87 TRP HE3 H 7.606 0.030 1 958 87 87 TRP HZ2 H 6.377 0.030 1 959 87 87 TRP HZ3 H 6.518 0.030 1 960 87 87 TRP HH2 H 5.455 0.030 1 961 87 87 TRP C C 177.012 0.300 1 962 87 87 TRP CA C 58.206 0.300 1 963 87 87 TRP CB C 30.159 0.300 1 964 87 87 TRP CD1 C 127.753 0.300 1 965 87 87 TRP CE3 C 121.678 0.300 1 966 87 87 TRP CZ2 C 114.145 0.300 1 967 87 87 TRP CZ3 C 120.302 0.300 1 968 87 87 TRP CH2 C 125.404 0.300 1 969 87 87 TRP N N 122.168 0.300 1 970 87 87 TRP NE1 N 127.912 0.300 1 971 88 88 ALA H H 8.941 0.030 1 972 88 88 ALA HA H 3.892 0.030 1 973 88 88 ALA HB H 1.237 0.030 1 974 88 88 ALA C C 176.087 0.300 1 975 88 88 ALA CA C 51.210 0.300 1 976 88 88 ALA CB C 18.953 0.300 1 977 88 88 ALA N N 124.570 0.300 1 978 89 89 ASN H H 8.643 0.030 1 979 89 89 ASN HA H 4.472 0.030 1 980 89 89 ASN HB2 H 2.738 0.030 1 981 89 89 ASN HB3 H 2.738 0.030 1 982 89 89 ASN HD21 H 7.090 0.030 2 983 89 89 ASN HD22 H 7.722 0.030 2 984 89 89 ASN C C 177.048 0.300 1 985 89 89 ASN CA C 55.351 0.300 1 986 89 89 ASN CB C 37.986 0.300 1 987 89 89 ASN N N 117.866 0.300 1 988 89 89 ASN ND2 N 113.523 0.300 1 989 90 90 GLY H H 8.827 0.030 1 990 90 90 GLY HA2 H 3.656 0.030 2 991 90 90 GLY HA3 H 4.121 0.030 2 992 90 90 GLY C C 173.638 0.300 1 993 90 90 GLY CA C 45.606 0.300 1 994 90 90 GLY N N 112.250 0.300 1 995 91 91 GLU H H 7.817 0.030 1 996 91 91 GLU HA H 4.367 0.030 1 997 91 91 GLU HB2 H 2.183 0.030 2 998 91 91 GLU HB3 H 2.409 0.030 2 999 91 91 GLU HG2 H 2.071 0.030 2 1000 91 91 GLU HG3 H 2.740 0.030 2 1001 91 91 GLU C C 173.730 0.300 1 1002 91 91 GLU CA C 53.007 0.300 1 1003 91 91 GLU CB C 30.712 0.300 1 1004 91 91 GLU CG C 35.631 0.300 1 1005 91 91 GLU N N 118.702 0.300 1 1006 92 92 PRO HA H 4.450 0.030 1 1007 92 92 PRO HB2 H 0.570 0.030 2 1008 92 92 PRO HB3 H 1.771 0.030 2 1009 92 92 PRO HG2 H 0.838 0.030 2 1010 92 92 PRO HG3 H 1.563 0.030 2 1011 92 92 PRO HD2 H 1.015 0.030 2 1012 92 92 PRO HD3 H 2.915 0.030 2 1013 92 92 PRO C C 176.699 0.300 1 1014 92 92 PRO CA C 61.008 0.300 1 1015 92 92 PRO CB C 33.223 0.300 1 1016 92 92 PRO CG C 23.788 0.300 1 1017 92 92 PRO CD C 48.646 0.300 1 1018 93 93 SER H H 7.437 0.030 1 1019 93 93 SER HA H 4.189 0.030 1 1020 93 93 SER HB2 H 3.881 0.030 2 1021 93 93 SER HB3 H 4.068 0.030 2 1022 93 93 SER C C 174.783 0.300 1 1023 93 93 SER CA C 58.664 0.300 1 1024 93 93 SER CB C 64.350 0.300 1 1025 93 93 SER N N 117.727 0.300 1 1026 94 94 ASN H H 8.723 0.030 1 1027 94 94 ASN HA H 4.733 0.030 1 1028 94 94 ASN HB2 H 2.822 0.030 2 1029 94 94 ASN HB3 H 2.876 0.030 2 1030 94 94 ASN HD21 H 6.891 0.030 2 1031 94 94 ASN HD22 H 7.553 0.030 2 1032 94 94 ASN C C 175.161 0.300 1 1033 94 94 ASN CA C 52.867 0.300 1 1034 94 94 ASN CB C 38.129 0.300 1 1035 94 94 ASN N N 122.522 0.300 1 1036 94 94 ASN ND2 N 112.416 0.300 1 1037 95 95 ASP H H 8.034 0.030 1 1038 95 95 ASP HA H 4.772 0.030 1 1039 95 95 ASP HB2 H 2.603 0.030 2 1040 95 95 ASP HB3 H 2.811 0.030 2 1041 95 95 ASP C C 176.595 0.300 1 1042 95 95 ASP CA C 51.598 0.300 1 1043 95 95 ASP CB C 41.834 0.300 1 1044 95 95 ASP N N 123.546 0.300 1 1045 96 96 PRO HA H 4.325 0.030 1 1046 96 96 PRO HB2 H 2.038 0.030 2 1047 96 96 PRO HB3 H 2.366 0.030 2 1048 96 96 PRO HG2 H 2.017 0.030 2 1049 96 96 PRO HG3 H 2.081 0.030 2 1050 96 96 PRO HD2 H 3.962 0.030 2 1051 96 96 PRO HD3 H 4.062 0.030 2 1052 96 96 PRO C C 177.798 0.300 1 1053 96 96 PRO CA C 64.391 0.300 1 1054 96 96 PRO CB C 32.488 0.300 1 1055 96 96 PRO CG C 27.115 0.300 1 1056 96 96 PRO CD C 51.457 0.300 1 1057 97 97 THR H H 8.682 0.030 1 1058 97 97 THR HA H 4.460 0.030 1 1059 97 97 THR HB H 4.404 0.030 1 1060 97 97 THR HG2 H 1.311 0.030 1 1061 97 97 THR C C 176.452 0.300 1 1062 97 97 THR CA C 62.992 0.300 1 1063 97 97 THR CB C 69.870 0.300 1 1064 97 97 THR CG2 C 21.967 0.300 1 1065 97 97 THR N N 108.258 0.300 1 1066 98 98 ARG H H 7.664 0.030 1 1067 98 98 ARG HA H 4.368 0.030 1 1068 98 98 ARG HB2 H 1.879 0.030 1 1069 98 98 ARG HB3 H 1.879 0.030 1 1070 98 98 ARG HG2 H 1.497 0.030 2 1071 98 98 ARG HG3 H 1.646 0.030 2 1072 98 98 ARG HD2 H 3.258 0.030 2 1073 98 98 ARG HD3 H 3.318 0.030 2 1074 98 98 ARG HE H 6.989 0.030 1 1075 98 98 ARG C C 175.173 0.300 1 1076 98 98 ARG CA C 55.721 0.300 1 1077 98 98 ARG CB C 28.717 0.300 1 1078 98 98 ARG CG C 27.610 0.300 1 1079 98 98 ARG CD C 44.169 0.300 1 1080 98 98 ARG N N 125.345 0.300 1 1081 98 98 ARG NE N 84.521 0.300 1 1082 99 99 GLN H H 7.418 0.030 1 1083 99 99 GLN HA H 4.460 0.030 1 1084 99 99 GLN HB2 H 2.326 0.030 2 1085 99 99 GLN HB3 H 2.666 0.030 2 1086 99 99 GLN HG2 H 2.266 0.030 2 1087 99 99 GLN HG3 H 2.365 0.030 2 1088 99 99 GLN HE21 H 6.835 0.030 2 1089 99 99 GLN HE22 H 7.543 0.030 2 1090 99 99 GLN C C 175.173 0.300 1 1091 99 99 GLN CA C 56.320 0.300 1 1092 99 99 GLN CB C 31.023 0.300 1 1093 99 99 GLN CG C 34.490 0.300 1 1094 99 99 GLN N N 118.022 0.300 1 1095 99 99 GLN NE2 N 111.820 0.300 1 1096 100 100 CYS H H 8.663 0.030 1 1097 100 100 CYS HA H 5.360 0.030 1 1098 100 100 CYS HB2 H 2.640 0.030 2 1099 100 100 CYS HB3 H 3.507 0.030 2 1100 100 100 CYS C C 172.250 0.300 1 1101 100 100 CYS CA C 59.921 0.300 1 1102 100 100 CYS CB C 46.965 0.300 1 1103 100 100 CYS N N 117.382 0.300 1 1104 101 101 VAL H H 9.991 0.030 1 1105 101 101 VAL HA H 5.120 0.030 1 1106 101 101 VAL HB H 2.084 0.030 1 1107 101 101 VAL HG1 H 0.512 0.030 1 1108 101 101 VAL HG2 H 0.797 0.030 1 1109 101 101 VAL C C 174.332 0.300 1 1110 101 101 VAL CA C 62.015 0.300 1 1111 101 101 VAL CB C 35.868 0.300 1 1112 101 101 VAL CG1 C 21.739 0.300 2 1113 101 101 VAL CG2 C 22.597 0.300 2 1114 101 101 VAL N N 122.017 0.300 1 1115 102 102 TYR H H 9.299 0.030 1 1116 102 102 TYR HA H 5.663 0.030 1 1117 102 102 TYR HB2 H 2.272 0.030 2 1118 102 102 TYR HB3 H 2.451 0.030 2 1119 102 102 TYR HD1 H 6.462 0.030 1 1120 102 102 TYR HD2 H 6.462 0.030 1 1121 102 102 TYR HE1 H 6.331 0.030 1 1122 102 102 TYR HE2 H 6.331 0.030 1 1123 102 102 TYR C C 172.700 0.300 1 1124 102 102 TYR CA C 53.642 0.300 1 1125 102 102 TYR CB C 40.951 0.300 1 1126 102 102 TYR CD1 C 133.206 0.300 1 1127 102 102 TYR CD2 C 133.206 0.300 1 1128 102 102 TYR CE1 C 117.208 0.300 1 1129 102 102 TYR CE2 C 117.208 0.300 1 1130 102 102 TYR N N 121.801 0.300 1 1131 103 103 PHE H H 9.186 0.030 1 1132 103 103 PHE HA H 4.018 0.030 1 1133 103 103 PHE HB2 H 1.714 0.030 2 1134 103 103 PHE HB3 H 1.901 0.030 2 1135 103 103 PHE HD1 H 6.744 0.030 1 1136 103 103 PHE HD2 H 6.744 0.030 1 1137 103 103 PHE HE1 H 7.238 0.030 1 1138 103 103 PHE HE2 H 7.238 0.030 1 1139 103 103 PHE HZ H 6.603 0.030 1 1140 103 103 PHE C C 174.856 0.300 1 1141 103 103 PHE CA C 56.953 0.300 1 1142 103 103 PHE CB C 40.910 0.300 1 1143 103 103 PHE CD1 C 131.432 0.300 1 1144 103 103 PHE CD2 C 131.432 0.300 1 1145 103 103 PHE CE1 C 130.275 0.300 1 1146 103 103 PHE CE2 C 130.275 0.300 1 1147 103 103 PHE N N 122.402 0.300 1 1148 104 104 ASP H H 8.642 0.030 1 1149 104 104 ASP HA H 4.893 0.030 1 1150 104 104 ASP HB2 H 2.501 0.030 2 1151 104 104 ASP HB3 H 3.100 0.030 2 1152 104 104 ASP C C 175.794 0.300 1 1153 104 104 ASP CA C 52.937 0.300 1 1154 104 104 ASP CB C 39.835 0.300 1 1155 104 104 ASP N N 127.093 0.300 1 1156 105 105 GLY H H 8.448 0.030 1 1157 105 105 GLY HA2 H 4.205 0.030 2 1158 105 105 GLY HA3 H 4.418 0.030 2 1159 105 105 GLY C C 174.478 0.300 1 1160 105 105 GLY CA C 46.840 0.300 1 1161 105 105 GLY N N 114.524 0.300 1 1162 106 106 ARG H H 8.179 0.030 1 1163 106 106 ARG HA H 4.520 0.030 1 1164 106 106 ARG HB2 H 2.004 0.030 1 1165 106 106 ARG HB3 H 2.004 0.030 1 1166 106 106 ARG HG2 H 1.388 0.030 2 1167 106 106 ARG HG3 H 1.526 0.030 2 1168 106 106 ARG HD2 H 3.134 0.030 2 1169 106 106 ARG HD3 H 3.183 0.030 2 1170 106 106 ARG HE H 7.201 0.030 1 1171 106 106 ARG C C 177.329 0.300 1 1172 106 106 ARG CA C 56.055 0.300 1 1173 106 106 ARG CB C 29.821 0.300 1 1174 106 106 ARG CG C 28.146 0.300 1 1175 106 106 ARG CD C 43.800 0.300 1 1176 106 106 ARG N N 116.745 0.300 1 1177 106 106 ARG NE N 84.482 0.300 1 1178 107 107 SER H H 7.271 0.030 1 1179 107 107 SER HA H 4.204 0.030 1 1180 107 107 SER HB2 H 3.871 0.030 2 1181 107 107 SER HB3 H 4.076 0.030 2 1182 107 107 SER C C 176.415 0.300 1 1183 107 107 SER CA C 58.453 0.300 1 1184 107 107 SER CB C 64.308 0.300 1 1185 107 107 SER N N 113.936 0.300 1 1186 108 108 GLY H H 8.814 0.030 1 1187 108 108 GLY HA2 H 3.886 0.030 2 1188 108 108 GLY HA3 H 3.976 0.030 2 1189 108 108 GLY C C 173.126 0.300 1 1190 108 108 GLY CA C 45.747 0.300 1 1191 108 108 GLY N N 114.150 0.300 1 1192 109 109 ASP H H 7.776 0.030 1 1193 109 109 ASP HA H 4.786 0.030 1 1194 109 109 ASP HB2 H 2.462 0.030 2 1195 109 109 ASP HB3 H 2.733 0.030 2 1196 109 109 ASP C C 176.915 0.300 1 1197 109 109 ASP CA C 52.549 0.300 1 1198 109 109 ASP CB C 42.031 0.300 1 1199 109 109 ASP N N 119.451 0.300 1 1200 110 110 LYS H H 8.728 0.030 1 1201 110 110 LYS HA H 3.919 0.030 1 1202 110 110 LYS HB2 H 1.899 0.030 2 1203 110 110 LYS HB3 H 1.937 0.030 2 1204 110 110 LYS HG2 H 1.374 0.030 2 1205 110 110 LYS HG3 H 1.502 0.030 2 1206 110 110 LYS HD2 H 1.653 0.030 1 1207 110 110 LYS HD3 H 1.653 0.030 1 1208 110 110 LYS HE2 H 3.049 0.030 1 1209 110 110 LYS HE3 H 3.049 0.030 1 1210 110 110 LYS C C 174.040 0.300 1 1211 110 110 LYS CA C 57.924 0.300 1 1212 110 110 LYS CB C 31.129 0.300 1 1213 110 110 LYS CG C 24.102 0.300 1 1214 110 110 LYS CD C 29.146 0.300 1 1215 110 110 LYS CE C 42.564 0.300 1 1216 110 110 LYS N N 125.678 0.300 1 1217 111 111 SER H H 8.437 0.030 1 1218 111 111 SER HA H 4.462 0.030 1 1219 111 111 SER HB2 H 3.886 0.030 2 1220 111 111 SER HB3 H 4.077 0.030 2 1221 111 111 SER C C 173.602 0.300 1 1222 111 111 SER CA C 59.225 0.300 1 1223 111 111 SER CB C 64.350 0.300 1 1224 111 111 SER N N 112.318 0.300 1 1225 112 112 LYS H H 7.661 0.030 1 1226 112 112 LYS HA H 4.298 0.030 1 1227 112 112 LYS HB2 H 1.675 0.030 1 1228 112 112 LYS HB3 H 1.675 0.030 1 1229 112 112 LYS HG2 H 1.181 0.030 2 1230 112 112 LYS HG3 H 1.239 0.030 2 1231 112 112 LYS HD2 H 1.510 0.030 2 1232 112 112 LYS HD3 H 1.641 0.030 2 1233 112 112 LYS HE2 H 2.943 0.030 1 1234 112 112 LYS HE3 H 2.943 0.030 1 1235 112 112 LYS C C 175.173 0.300 1 1236 112 112 LYS CA C 54.188 0.300 1 1237 112 112 LYS CB C 33.915 0.300 1 1238 112 112 LYS CG C 23.862 0.300 1 1239 112 112 LYS CD C 29.550 0.300 1 1240 112 112 LYS CE C 42.775 0.300 1 1241 112 112 LYS N N 125.101 0.300 1 1242 113 113 VAL H H 7.253 0.030 1 1243 113 113 VAL HA H 4.441 0.030 1 1244 113 113 VAL HB H 0.636 0.030 1 1245 113 113 VAL HG1 H 0.497 0.030 1 1246 113 113 VAL HG2 H 0.601 0.030 1 1247 113 113 VAL C C 178.036 0.300 1 1248 113 113 VAL CA C 61.835 0.300 1 1249 113 113 VAL CB C 35.915 0.300 1 1250 113 113 VAL CG1 C 23.779 0.300 2 1251 113 113 VAL CG2 C 18.779 0.300 2 1252 113 113 VAL N N 111.719 0.300 1 1253 114 114 TRP H H 8.858 0.030 1 1254 114 114 TRP HA H 4.813 0.030 1 1255 114 114 TRP HB2 H 2.487 0.030 2 1256 114 114 TRP HB3 H 2.865 0.030 2 1257 114 114 TRP HD1 H 6.500 0.030 1 1258 114 114 TRP HE1 H 9.960 0.030 1 1259 114 114 TRP HE3 H 4.567 0.030 1 1260 114 114 TRP HZ2 H 8.591 0.030 1 1261 114 114 TRP HZ3 H 6.109 0.030 1 1262 114 114 TRP HH2 H 7.337 0.030 1 1263 114 114 TRP C C 175.685 0.300 1 1264 114 114 TRP CA C 55.439 0.300 1 1265 114 114 TRP CB C 29.948 0.300 1 1266 114 114 TRP CD1 C 121.749 0.300 1 1267 114 114 TRP CE3 C 120.924 0.300 1 1268 114 114 TRP CZ2 C 115.426 0.300 1 1269 114 114 TRP CZ3 C 120.831 0.300 1 1270 114 114 TRP CH2 C 123.770 0.300 1 1271 114 114 TRP N N 125.051 0.300 1 1272 114 114 TRP NE1 N 122.988 0.300 1 1273 115 115 THR H H 9.050 0.030 1 1274 115 115 THR HA H 4.422 0.030 1 1275 115 115 THR HB H 2.205 0.030 1 1276 115 115 THR HG2 H 1.160 0.030 1 1277 115 115 THR C C 172.505 0.300 1 1278 115 115 THR CA C 62.297 0.300 1 1279 115 115 THR CB C 71.077 0.300 1 1280 115 115 THR CG2 C 20.508 0.300 1 1281 115 115 THR N N 122.885 0.300 1 1282 116 116 THR H H 8.756 0.030 1 1283 116 116 THR HA H 5.767 0.030 1 1284 116 116 THR HB H 4.507 0.030 1 1285 116 116 THR HG2 H 1.632 0.030 1 1286 116 116 THR C C 175.477 0.300 1 1287 116 116 THR CA C 61.519 0.300 1 1288 116 116 THR CB C 71.893 0.300 1 1289 116 116 THR CG2 C 23.120 0.300 1 1290 116 116 THR N N 117.503 0.300 1 1291 117 117 ASP H H 9.220 0.030 1 1292 117 117 ASP HA H 5.145 0.030 1 1293 117 117 ASP HB2 H 2.865 0.030 2 1294 117 117 ASP HB3 H 3.129 0.030 2 1295 117 117 ASP C C 176.476 0.300 1 1296 117 117 ASP CA C 53.148 0.300 1 1297 117 117 ASP CB C 45.550 0.300 1 1298 117 117 ASP N N 117.293 0.300 1 1299 118 118 THR H H 8.862 0.030 1 1300 118 118 THR HA H 4.935 0.030 1 1301 118 118 THR HB H 4.481 0.030 1 1302 118 118 THR HG2 H 1.411 0.030 1 1303 118 118 THR C C 176.050 0.300 1 1304 118 118 THR CA C 61.008 0.300 1 1305 118 118 THR CB C 68.777 0.300 1 1306 118 118 THR CG2 C 21.440 0.300 1 1307 118 118 THR N N 116.160 0.300 1 1308 119 119 CYS H H 8.903 0.030 1 1309 119 119 CYS HA H 4.167 0.030 1 1310 119 119 CYS HB2 H 2.856 0.030 2 1311 119 119 CYS HB3 H 3.031 0.030 2 1312 119 119 CYS C C 174.053 0.300 1 1313 119 119 CYS CA C 57.395 0.300 1 1314 119 119 CYS CB C 44.782 0.300 1 1315 119 119 CYS N N 123.812 0.300 1 1316 120 120 ALA H H 7.958 0.030 1 1317 120 120 ALA HA H 4.215 0.030 1 1318 120 120 ALA HB H 1.483 0.030 1 1319 120 120 ALA C C 177.816 0.300 1 1320 120 120 ALA CA C 53.483 0.300 1 1321 120 120 ALA CB C 19.778 0.300 1 1322 120 120 ALA N N 117.950 0.300 1 1323 121 121 THR H H 7.830 0.030 1 1324 121 121 THR HA H 4.140 0.030 1 1325 121 121 THR HB H 4.363 0.030 1 1326 121 121 THR HG2 H 1.053 0.030 1 1327 121 121 THR C C 172.443 0.300 1 1328 121 121 THR CA C 62.324 0.300 1 1329 121 121 THR CB C 70.453 0.300 1 1330 121 121 THR CG2 C 21.880 0.300 1 1331 121 121 THR N N 116.582 0.300 1 1332 122 122 PRO HA H 4.353 0.030 1 1333 122 122 PRO HB2 H 1.798 0.030 2 1334 122 122 PRO HB3 H 1.976 0.030 2 1335 122 122 PRO HG2 H 1.892 0.030 2 1336 122 122 PRO HG3 H 2.198 0.030 2 1337 122 122 PRO HD2 H 3.578 0.030 2 1338 122 122 PRO HD3 H 4.355 0.030 2 1339 122 122 PRO C C 176.112 0.300 1 1340 122 122 PRO CA C 61.912 0.300 1 1341 122 122 PRO CB C 31.087 0.300 1 1342 122 122 PRO CG C 28.553 0.300 1 1343 122 122 PRO CD C 51.140 0.300 1 1344 123 123 ARG H H 8.777 0.030 1 1345 123 123 ARG HA H 4.736 0.030 1 1346 123 123 ARG HB2 H 0.521 0.030 2 1347 123 123 ARG HB3 H 1.590 0.030 2 1348 123 123 ARG HG2 H 0.931 0.030 2 1349 123 123 ARG HG3 H 1.014 0.030 2 1350 123 123 ARG HD2 H 0.351 0.030 2 1351 123 123 ARG HD3 H 1.565 0.030 2 1352 123 123 ARG HE H 6.128 0.030 1 1353 123 123 ARG C C 173.269 0.300 1 1354 123 123 ARG CA C 54.959 0.300 1 1355 123 123 ARG CB C 31.522 0.300 1 1356 123 123 ARG CG C 28.597 0.300 1 1357 123 123 ARG CD C 41.967 0.300 1 1358 123 123 ARG N N 126.453 0.300 1 1359 123 123 ARG NE N 83.236 0.300 1 1360 124 124 PRO HA H 5.159 0.030 1 1361 124 124 PRO HB2 H 1.702 0.030 2 1362 124 124 PRO HB3 H 2.477 0.030 2 1363 124 124 PRO HG2 H 1.905 0.030 1 1364 124 124 PRO HG3 H 1.905 0.030 1 1365 124 124 PRO HD2 H 3.676 0.030 2 1366 124 124 PRO HD3 H 3.875 0.030 2 1367 124 124 PRO C C 174.425 0.300 1 1368 124 124 PRO CA C 62.911 0.300 1 1369 124 124 PRO CB C 33.031 0.300 1 1370 124 124 PRO CG C 27.780 0.300 1 1371 124 124 PRO CD C 50.556 0.300 1 1372 125 125 PHE H H 7.956 0.030 1 1373 125 125 PHE HA H 5.595 0.030 1 1374 125 125 PHE HB2 H 3.083 0.030 2 1375 125 125 PHE HB3 H 3.595 0.030 2 1376 125 125 PHE HD1 H 6.916 0.030 3 1377 125 125 PHE HD2 H 7.605 0.030 3 1378 125 125 PHE HE1 H 6.173 0.030 1 1379 125 125 PHE HE2 H 6.173 0.030 1 1380 125 125 PHE HZ H 7.239 0.030 1 1381 125 125 PHE C C 171.690 0.300 1 1382 125 125 PHE CA C 56.884 0.300 1 1383 125 125 PHE CB C 41.834 0.300 1 1384 125 125 PHE CD1 C 133.435 0.300 1 1385 125 125 PHE CD2 C 133.435 0.300 1 1386 125 125 PHE CE1 C 130.195 0.300 1 1387 125 125 PHE CE2 C 130.195 0.300 1 1388 125 125 PHE CZ C 133.113 0.300 1 1389 125 125 PHE N N 111.117 0.300 1 1390 126 126 ILE H H 7.311 0.030 1 1391 126 126 ILE HA H 4.582 0.030 1 1392 126 126 ILE HB H 1.433 0.030 1 1393 126 126 ILE HG12 H 0.658 0.030 2 1394 126 126 ILE HG13 H 1.109 0.030 2 1395 126 126 ILE HG2 H 1.116 0.030 1 1396 126 126 ILE HD1 H 0.027 0.030 1 1397 126 126 ILE C C 174.247 0.300 1 1398 126 126 ILE CA C 60.389 0.300 1 1399 126 126 ILE CB C 41.873 0.300 1 1400 126 126 ILE CG1 C 27.590 0.300 1 1401 126 126 ILE CG2 C 16.974 0.300 1 1402 126 126 ILE CD1 C 14.086 0.300 1 1403 126 126 ILE N N 116.934 0.300 1 1404 127 127 CYS H H 9.231 0.030 1 1405 127 127 CYS HA H 5.904 0.030 1 1406 127 127 CYS HB2 H 2.591 0.030 2 1407 127 127 CYS HB3 H 3.223 0.030 2 1408 127 127 CYS C C 173.650 0.300 1 1409 127 127 CYS CA C 51.706 0.300 1 1410 127 127 CYS CB C 38.892 0.300 1 1411 127 127 CYS N N 122.819 0.300 1 1412 128 128 GLN H H 9.721 0.030 1 1413 128 128 GLN HA H 4.678 0.030 1 1414 128 128 GLN HB2 H 1.408 0.030 2 1415 128 128 GLN HB3 H 2.010 0.030 2 1416 128 128 GLN HG2 H 1.874 0.030 2 1417 128 128 GLN HG3 H 1.965 0.030 2 1418 128 128 GLN HE21 H 7.521 0.030 2 1419 128 128 GLN HE22 H 7.589 0.030 2 1420 128 128 GLN C C 171.653 0.300 1 1421 128 128 GLN CA C 55.016 0.300 1 1422 128 128 GLN CB C 33.381 0.300 1 1423 128 128 GLN CG C 33.798 0.300 1 1424 128 128 GLN N N 124.173 0.300 1 1425 128 128 GLN NE2 N 116.504 0.300 1 1426 129 129 LYS H H 8.397 0.030 1 1427 129 129 LYS HA H 3.890 0.030 1 1428 129 129 LYS HB2 H 0.565 0.030 2 1429 129 129 LYS HB3 H 0.960 0.030 2 1430 129 129 LYS HG2 H 0.644 0.030 2 1431 129 129 LYS HG3 H 0.752 0.030 2 1432 129 129 LYS HD2 H 1.162 0.030 2 1433 129 129 LYS HD3 H 1.236 0.030 2 1434 129 129 LYS HE2 H 2.734 0.030 1 1435 129 129 LYS HE3 H 2.734 0.030 1 1436 129 129 LYS C C 175.855 0.300 1 1437 129 129 LYS CA C 55.739 0.300 1 1438 129 129 LYS CB C 34.294 0.300 1 1439 129 129 LYS CG C 24.380 0.300 1 1440 129 129 LYS CD C 29.300 0.300 1 1441 129 129 LYS CE C 42.070 0.300 1 1442 129 129 LYS N N 120.961 0.300 1 1443 130 130 HIS H H 8.014 0.030 1 1444 130 130 HIS HA H 4.527 0.030 1 1445 130 130 HIS HB2 H 2.935 0.030 2 1446 130 130 HIS HB3 H 3.057 0.030 2 1447 130 130 HIS HD2 H 6.723 0.030 1 1448 130 130 HIS HE1 H 7.939 0.030 1 1449 130 130 HIS C C 175.185 0.300 1 1450 130 130 HIS CA C 57.001 0.300 1 1451 130 130 HIS CB C 31.023 0.300 1 1452 130 130 HIS CD2 C 119.459 0.300 1 1453 130 130 HIS CE1 C 138.278 0.300 1 1454 130 130 HIS N N 120.223 0.300 1 1455 131 131 ARG H H 8.328 0.030 1 1456 131 131 ARG HA H 4.258 0.030 1 1457 131 131 ARG HB2 H 1.657 0.030 2 1458 131 131 ARG HB3 H 1.715 0.030 2 1459 131 131 ARG HG2 H 1.446 0.030 2 1460 131 131 ARG HG3 H 1.523 0.030 2 1461 131 131 ARG HD2 H 3.127 0.030 1 1462 131 131 ARG HD3 H 3.127 0.030 1 1463 131 131 ARG HE H 7.346 0.030 1 1464 131 131 ARG C C 175.563 0.300 1 1465 131 131 ARG CA C 55.810 0.300 1 1466 131 131 ARG CB C 31.068 0.300 1 1467 131 131 ARG CG C 26.995 0.300 1 1468 131 131 ARG CD C 43.306 0.300 1 1469 131 131 ARG N N 123.410 0.300 1 1470 131 131 ARG NE N 84.857 0.300 1 1471 132 132 TYR H H 8.404 0.030 1 1472 132 132 TYR HA H 4.561 0.030 1 1473 132 132 TYR HB2 H 2.840 0.030 2 1474 132 132 TYR HB3 H 3.074 0.030 2 1475 132 132 TYR HD1 H 7.096 0.030 1 1476 132 132 TYR HD2 H 7.096 0.030 1 1477 132 132 TYR HE1 H 6.744 0.030 1 1478 132 132 TYR HE2 H 6.744 0.030 1 1479 132 132 TYR C C 175.539 0.300 1 1480 132 132 TYR CA C 57.941 0.300 1 1481 132 132 TYR CB C 38.946 0.300 1 1482 132 132 TYR CD1 C 133.220 0.300 1 1483 132 132 TYR CD2 C 133.220 0.300 1 1484 132 132 TYR CE1 C 118.419 0.300 1 1485 132 132 TYR CE2 C 118.419 0.300 1 1486 132 132 TYR N N 122.093 0.300 1 1487 133 133 ASP H H 8.403 0.030 1 1488 133 133 ASP HA H 4.600 0.030 1 1489 133 133 ASP HB2 H 2.673 0.030 1 1490 133 133 ASP HB3 H 2.673 0.030 1 1491 133 133 ASP C C 176.283 0.300 1 1492 133 133 ASP CA C 54.206 0.300 1 1493 133 133 ASP CB C 41.221 0.300 1 1494 133 133 ASP N N 122.054 0.300 1 1495 134 134 SER H H 8.208 0.030 1 1496 134 134 SER HA H 4.321 0.030 1 1497 134 134 SER HB2 H 3.809 0.030 2 1498 134 134 SER HB3 H 3.898 0.030 2 1499 134 134 SER C C 174.434 0.300 1 1500 134 134 SER CA C 58.981 0.300 1 1501 134 134 SER CB C 63.732 0.300 1 1502 134 134 SER N N 115.413 0.300 1 1503 135 135 ASP H H 8.290 0.030 1 1504 135 135 ASP HA H 4.581 0.030 1 1505 135 135 ASP HB2 H 2.614 0.030 1 1506 135 135 ASP HB3 H 2.614 0.030 1 1507 135 135 ASP C C 175.879 0.300 1 1508 135 135 ASP CA C 54.540 0.300 1 1509 135 135 ASP CB C 41.107 0.300 1 1510 135 135 ASP N N 121.250 0.300 1 1511 136 136 HIS H H 8.151 0.030 1 1512 136 136 HIS HA H 4.612 0.030 1 1513 136 136 HIS HB2 H 3.087 0.030 2 1514 136 136 HIS HB3 H 3.201 0.030 2 1515 136 136 HIS HD2 H 7.151 0.030 1 1516 136 136 HIS HE1 H 8.313 0.030 1 1517 136 136 HIS C C 174.260 0.300 1 1518 136 136 HIS CA C 55.631 0.300 1 1519 136 136 HIS CB C 29.458 0.300 1 1520 136 136 HIS CD2 C 120.155 0.300 1 1521 136 136 HIS CE1 C 136.983 0.300 1 1522 136 136 HIS N N 118.740 0.300 1 1523 137 137 LYS H H 8.315 0.030 1 1524 137 137 LYS HA H 4.562 0.030 1 1525 137 137 LYS HB2 H 1.708 0.030 2 1526 137 137 LYS HB3 H 1.800 0.030 2 1527 137 137 LYS HG2 H 1.430 0.030 1 1528 137 137 LYS HG3 H 1.430 0.030 1 1529 137 137 LYS HE2 H 3.005 0.030 1 1530 137 137 LYS HE3 H 3.005 0.030 1 1531 137 137 LYS C C 174.459 0.300 1 1532 137 137 LYS CA C 54.285 0.300 1 1533 137 137 LYS CB C 32.369 0.300 1 1534 137 137 LYS CG C 24.570 0.300 1 1535 137 137 LYS CD C 29.112 0.300 1 1536 137 137 LYS CE C 42.229 0.300 1 1537 137 137 LYS N N 124.219 0.300 1 1538 138 138 PRO HA H 4.403 0.030 1 1539 138 138 PRO HB2 H 1.897 0.030 2 1540 138 138 PRO HB3 H 2.261 0.030 2 1541 138 138 PRO HG2 H 1.978 0.030 1 1542 138 138 PRO HG3 H 1.978 0.030 1 1543 138 138 PRO HD2 H 3.602 0.030 2 1544 138 138 PRO HD3 H 3.710 0.030 2 1545 138 138 PRO C C 176.650 0.300 1 1546 138 138 PRO CA C 63.193 0.300 1 1547 138 138 PRO CB C 32.134 0.300 1 1548 138 138 PRO CG C 27.374 0.300 1 1549 138 138 PRO CD C 50.589 0.300 1 1550 139 139 ASN H H 8.595 0.030 1 1551 139 139 ASN HA H 4.747 0.030 1 1552 139 139 ASN HB2 H 2.805 0.030 2 1553 139 139 ASN HB3 H 2.851 0.030 2 1554 139 139 ASN HD21 H 6.935 0.030 2 1555 139 139 ASN HD22 H 7.630 0.030 2 1556 139 139 ASN C C 175.441 0.300 1 1557 139 139 ASN CA C 53.395 0.300 1 1558 139 139 ASN CB C 38.850 0.300 1 1559 139 139 ASN N N 119.035 0.300 1 1560 139 139 ASN ND2 N 112.822 0.300 1 1561 140 140 THR H H 8.134 0.030 1 1562 140 140 THR HA H 4.373 0.030 1 1563 140 140 THR HB H 4.234 0.030 1 1564 140 140 THR HG2 H 1.179 0.030 1 1565 140 140 THR C C 174.580 0.300 1 1566 140 140 THR CA C 61.818 0.300 1 1567 140 140 THR CB C 69.952 0.300 1 1568 140 140 THR CG2 C 21.637 0.300 1 1569 140 140 THR N N 114.375 0.300 1 1570 141 141 ILE H H 8.197 0.030 1 1571 141 141 ILE HA H 4.185 0.030 1 1572 141 141 ILE HB H 1.883 0.030 1 1573 141 141 ILE HG12 H 1.186 0.030 2 1574 141 141 ILE HG13 H 1.476 0.030 2 1575 141 141 ILE HG2 H 0.910 0.030 1 1576 141 141 ILE HD1 H 0.863 0.030 1 1577 141 141 ILE C C 176.744 0.300 1 1578 141 141 ILE CA C 61.466 0.300 1 1579 141 141 ILE CB C 38.654 0.300 1 1580 141 141 ILE CG1 C 27.405 0.300 1 1581 141 141 ILE CG2 C 17.518 0.300 1 1582 141 141 ILE CD1 C 12.986 0.300 1 1583 141 141 ILE N N 122.905 0.300 1 1584 142 142 GLY H H 8.425 0.030 1 1585 142 142 GLY HA2 H 3.955 0.030 1 1586 142 142 GLY HA3 H 3.955 0.030 1 1587 142 142 GLY C C 173.882 0.300 1 1588 142 142 GLY CA C 45.287 0.300 1 1589 142 142 GLY N N 112.815 0.300 1 1590 143 143 ASP H H 8.209 0.030 1 1591 143 143 ASP HA H 4.600 0.030 1 1592 143 143 ASP HB2 H 2.669 0.030 1 1593 143 143 ASP HB3 H 2.669 0.030 1 1594 143 143 ASP C C 176.305 0.300 1 1595 143 143 ASP CA C 54.276 0.300 1 1596 143 143 ASP CB C 41.295 0.300 1 1597 143 143 ASP N N 120.847 0.300 1 1598 144 144 ALA H H 8.361 0.030 1 1599 144 144 ALA HA H 4.373 0.030 1 1600 144 144 ALA HB H 1.414 0.030 1 1601 144 144 ALA C C 177.853 0.300 1 1602 144 144 ALA CA C 52.725 0.300 1 1603 144 144 ALA CB C 19.133 0.300 1 1604 144 144 ALA N N 124.789 0.300 1 1605 145 145 SER H H 8.332 0.030 1 1606 145 145 SER HA H 4.483 0.030 1 1607 145 145 SER HB2 H 3.897 0.030 1 1608 145 145 SER HB3 H 3.897 0.030 1 1609 145 145 SER C C 174.726 0.300 1 1610 145 145 SER CA C 58.664 0.300 1 1611 145 145 SER CB C 64.062 0.300 1 1612 145 145 SER N N 114.990 0.300 1 1613 146 146 GLY H H 8.172 0.030 1 1614 146 146 GLY HA2 H 4.078 0.030 2 1615 146 146 GLY HA3 H 4.168 0.030 2 1616 146 146 GLY C C 171.763 0.300 1 1617 146 146 GLY CA C 44.760 0.300 1 1618 146 146 GLY N N 110.494 0.300 1 1619 147 147 PRO HA H 4.488 0.030 1 1620 147 147 PRO HB2 H 1.970 0.030 2 1621 147 147 PRO HB3 H 2.296 0.030 2 1622 147 147 PRO HG2 H 2.025 0.030 1 1623 147 147 PRO HG3 H 2.025 0.030 1 1624 147 147 PRO HD2 H 3.624 0.030 1 1625 147 147 PRO HD3 H 3.624 0.030 1 1626 147 147 PRO C C 177.432 0.300 1 1627 147 147 PRO CA C 63.298 0.300 1 1628 147 147 PRO CB C 32.241 0.300 1 1629 147 147 PRO CG C 27.162 0.300 1 1630 147 147 PRO CD C 49.776 0.300 1 1631 148 148 SER H H 8.527 0.030 1 1632 148 148 SER HA H 4.520 0.030 1 1633 148 148 SER HB2 H 3.922 0.030 1 1634 148 148 SER HB3 H 3.922 0.030 1 1635 148 148 SER C C 174.722 0.300 1 1636 148 148 SER CA C 58.418 0.300 1 1637 148 148 SER CB C 63.980 0.300 1 1638 148 148 SER N N 116.414 0.300 1 1639 149 149 SER H H 8.349 0.030 1 1640 149 149 SER HA H 4.481 0.030 1 1641 149 149 SER HB2 H 3.922 0.030 1 1642 149 149 SER HB3 H 3.922 0.030 1 1643 149 149 SER C C 173.954 0.300 1 1644 149 149 SER CA C 58.418 0.300 1 1645 149 149 SER CB C 64.185 0.300 1 1646 149 149 SER N N 117.891 0.300 1 1647 150 150 GLY H H 8.060 0.030 1 1648 150 150 GLY C C 179.048 0.300 1 1649 150 150 GLY CA C 46.241 0.300 1 1650 150 150 GLY N N 116.863 0.300 1 stop_ save_