data_10032 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the first mbt domain from human KIAA1798 protein ; _BMRB_accession_number 10032 _BMRB_flat_file_name bmr10032.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 Tomizawa T. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 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" 710 "13C chemical shifts" 541 "15N chemical shifts" 119 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 the first mbt domain from human KIAA1798 protein' _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 Tomizawa T. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 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 'KIAA1798 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'KIAA1798 protein' $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 'mbt domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 127 _Mol_residue_sequence ; GSSGSSGPYNKNGFKVGMKL EGVDPEHQSVYCVLTVAEVC GYRIKLHFDGYSDCYDFWVN ADALDIHPVGWCEKTGHKLH PPKGYKEEEFNWQTYLKTCK AQAAPKSLFENQNITVIPSG FSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 TYR 10 ASN 11 LYS 12 ASN 13 GLY 14 PHE 15 LYS 16 VAL 17 GLY 18 MET 19 LYS 20 LEU 21 GLU 22 GLY 23 VAL 24 ASP 25 PRO 26 GLU 27 HIS 28 GLN 29 SER 30 VAL 31 TYR 32 CYS 33 VAL 34 LEU 35 THR 36 VAL 37 ALA 38 GLU 39 VAL 40 CYS 41 GLY 42 TYR 43 ARG 44 ILE 45 LYS 46 LEU 47 HIS 48 PHE 49 ASP 50 GLY 51 TYR 52 SER 53 ASP 54 CYS 55 TYR 56 ASP 57 PHE 58 TRP 59 VAL 60 ASN 61 ALA 62 ASP 63 ALA 64 LEU 65 ASP 66 ILE 67 HIS 68 PRO 69 VAL 70 GLY 71 TRP 72 CYS 73 GLU 74 LYS 75 THR 76 GLY 77 HIS 78 LYS 79 LEU 80 HIS 81 PRO 82 PRO 83 LYS 84 GLY 85 TYR 86 LYS 87 GLU 88 GLU 89 GLU 90 PHE 91 ASN 92 TRP 93 GLN 94 THR 95 TYR 96 LEU 97 LYS 98 THR 99 CYS 100 LYS 101 ALA 102 GLN 103 ALA 104 ALA 105 PRO 106 LYS 107 SER 108 LEU 109 PHE 110 GLU 111 ASN 112 GLN 113 ASN 114 ILE 115 THR 116 VAL 117 ILE 118 PRO 119 SER 120 GLY 121 PHE 122 SER 123 GLY 124 PRO 125 SER 126 SER 127 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 1WJS "Solution Structure Of The First Mbt Domain From Human Kiaa1798 Protein" 100.00 127 100.00 100.00 6.40e-89 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 P040119-27 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 1.03 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 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 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 'Guntert, 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 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 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 'KIAA1798 protein' _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 7 7 GLY HA2 H 4.087 0.030 2 2 7 7 GLY CA C 44.846 0.300 1 3 8 8 PRO HA H 4.349 0.030 1 4 8 8 PRO HB2 H 2.097 0.030 2 5 8 8 PRO HB3 H 1.718 0.030 2 6 8 8 PRO HG2 H 1.724 0.030 2 7 8 8 PRO HG3 H 1.850 0.030 2 8 8 8 PRO HD2 H 3.501 0.030 1 9 8 8 PRO HD3 H 3.501 0.030 1 10 8 8 PRO C C 176.706 0.300 1 11 8 8 PRO CA C 63.357 0.300 1 12 8 8 PRO CB C 31.931 0.300 1 13 8 8 PRO CG C 26.888 0.300 1 14 8 8 PRO CD C 49.701 0.300 1 15 9 9 TYR H H 8.100 0.030 1 16 9 9 TYR HA H 4.522 0.030 1 17 9 9 TYR HB2 H 2.921 0.030 2 18 9 9 TYR HB3 H 3.006 0.030 2 19 9 9 TYR HD1 H 7.068 0.030 1 20 9 9 TYR HD2 H 7.068 0.030 1 21 9 9 TYR HE1 H 6.806 0.030 1 22 9 9 TYR HE2 H 6.806 0.030 1 23 9 9 TYR C C 175.377 0.300 1 24 9 9 TYR CA C 57.621 0.300 1 25 9 9 TYR CB C 38.511 0.300 1 26 9 9 TYR CD1 C 133.117 0.300 1 27 9 9 TYR CD2 C 133.117 0.300 1 28 9 9 TYR CE1 C 118.282 0.300 1 29 9 9 TYR CE2 C 118.282 0.300 1 30 9 9 TYR N N 119.841 0.300 1 31 10 10 ASN HA H 4.571 0.030 1 32 10 10 ASN HB2 H 2.656 0.030 2 33 10 10 ASN HB3 H 2.585 0.030 2 34 10 10 ASN HD21 H 7.440 0.030 2 35 10 10 ASN HD22 H 6.836 0.030 2 36 10 10 ASN CA C 53.057 0.300 1 37 10 10 ASN CB C 38.837 0.300 1 38 10 10 ASN ND2 N 112.189 0.300 1 39 11 11 LYS HA H 5.301 0.030 1 40 12 12 ASN H H 7.790 0.030 1 41 12 12 ASN HA H 4.763 0.030 1 42 12 12 ASN HB2 H 3.139 0.030 2 43 12 12 ASN HB3 H 2.709 0.030 2 44 12 12 ASN C C 175.606 0.300 1 45 12 12 ASN CA C 52.224 0.300 1 46 12 12 ASN CB C 38.654 0.300 1 47 12 12 ASN N N 106.771 0.300 1 48 13 13 GLY H H 8.766 0.030 1 49 13 13 GLY HA2 H 4.186 0.030 2 50 13 13 GLY HA3 H 3.471 0.030 2 51 13 13 GLY C C 174.299 0.300 1 52 13 13 GLY CA C 45.091 0.300 1 53 13 13 GLY N N 112.488 0.300 1 54 14 14 PHE H H 8.122 0.030 1 55 14 14 PHE HA H 4.072 0.030 1 56 14 14 PHE HB2 H 3.058 0.030 2 57 14 14 PHE HB3 H 2.616 0.030 2 58 14 14 PHE HD1 H 7.196 0.030 1 59 14 14 PHE HD2 H 7.196 0.030 1 60 14 14 PHE HE1 H 7.006 0.030 1 61 14 14 PHE HE2 H 7.006 0.030 1 62 14 14 PHE HZ H 6.139 0.030 1 63 14 14 PHE C C 174.570 0.300 1 64 14 14 PHE CA C 60.376 0.300 1 65 14 14 PHE CB C 40.200 0.300 1 66 14 14 PHE CD1 C 131.594 0.300 1 67 14 14 PHE CD2 C 131.594 0.300 1 68 14 14 PHE CE1 C 131.274 0.300 1 69 14 14 PHE CE2 C 131.274 0.300 1 70 14 14 PHE CZ C 130.201 0.300 1 71 14 14 PHE N N 118.885 0.300 1 72 15 15 LYS H H 8.032 0.030 1 73 15 15 LYS HA H 4.745 0.030 1 74 15 15 LYS HB2 H 1.921 0.030 2 75 15 15 LYS HB3 H 1.570 0.030 2 76 15 15 LYS HG2 H 1.500 0.030 2 77 15 15 LYS HG3 H 1.416 0.030 2 78 15 15 LYS HD2 H 1.760 0.030 2 79 15 15 LYS HD3 H 1.656 0.030 2 80 15 15 LYS HE2 H 2.926 0.030 2 81 15 15 LYS HE3 H 2.989 0.030 2 82 15 15 LYS C C 175.931 0.300 1 83 15 15 LYS CA C 53.240 0.300 1 84 15 15 LYS CB C 36.125 0.300 1 85 15 15 LYS CG C 24.549 0.300 1 86 15 15 LYS CD C 28.786 0.300 1 87 15 15 LYS CE C 42.512 0.300 1 88 15 15 LYS N N 117.484 0.300 1 89 16 16 VAL H H 8.495 0.030 1 90 16 16 VAL HA H 3.316 0.030 1 91 16 16 VAL HB H 1.905 0.030 1 92 16 16 VAL HG1 H 0.932 0.030 1 93 16 16 VAL HG2 H 0.970 0.030 1 94 16 16 VAL C C 177.427 0.300 1 95 16 16 VAL CA C 64.999 0.300 1 96 16 16 VAL CB C 31.559 0.300 1 97 16 16 VAL CG1 C 21.116 0.300 2 98 16 16 VAL CG2 C 23.073 0.300 2 99 16 16 VAL N N 121.123 0.300 1 100 17 17 GLY H H 9.419 0.030 1 101 17 17 GLY HA2 H 3.563 0.030 2 102 17 17 GLY HA3 H 4.589 0.030 2 103 17 17 GLY C C 175.925 0.300 1 104 17 17 GLY CA C 44.430 0.300 1 105 17 17 GLY N N 115.306 0.300 1 106 18 18 MET H H 7.876 0.030 1 107 18 18 MET HA H 4.793 0.030 1 108 18 18 MET HB2 H 2.152 0.030 2 109 18 18 MET HB3 H 1.995 0.030 2 110 18 18 MET HG2 H 3.073 0.030 2 111 18 18 MET HG3 H 2.372 0.030 2 112 18 18 MET HE H 2.158 0.030 1 113 18 18 MET C C 176.030 0.300 1 114 18 18 MET CA C 57.672 0.300 1 115 18 18 MET CB C 34.314 0.300 1 116 18 18 MET CG C 34.485 0.300 1 117 18 18 MET CE C 17.861 0.300 1 118 18 18 MET N N 120.652 0.300 1 119 19 19 LYS H H 8.232 0.030 1 120 19 19 LYS HA H 5.918 0.030 1 121 19 19 LYS HB2 H 2.439 0.030 2 122 19 19 LYS HB3 H 1.796 0.030 2 123 19 19 LYS HG2 H 1.564 0.030 2 124 19 19 LYS HG3 H 2.077 0.030 2 125 19 19 LYS HD2 H 2.207 0.030 2 126 19 19 LYS HD3 H 1.838 0.030 2 127 19 19 LYS HE2 H 2.836 0.030 2 128 19 19 LYS HE3 H 3.155 0.030 2 129 19 19 LYS C C 176.733 0.300 1 130 19 19 LYS CA C 55.142 0.300 1 131 19 19 LYS CB C 36.603 0.300 1 132 19 19 LYS CG C 26.230 0.300 1 133 19 19 LYS CD C 30.370 0.300 1 134 19 19 LYS CE C 41.887 0.300 1 135 19 19 LYS N N 116.533 0.300 1 136 20 20 LEU H H 9.568 0.030 1 137 20 20 LEU HA H 4.592 0.030 1 138 20 20 LEU HB2 H 2.160 0.030 2 139 20 20 LEU HB3 H 2.571 0.030 2 140 20 20 LEU HG H 1.502 0.030 1 141 20 20 LEU HD1 H 0.912 0.030 1 142 20 20 LEU HD2 H 0.746 0.030 1 143 20 20 LEU C C 172.187 0.300 1 144 20 20 LEU CA C 56.840 0.300 1 145 20 20 LEU CB C 41.617 0.300 1 146 20 20 LEU CG C 26.886 0.300 1 147 20 20 LEU CD1 C 28.088 0.300 2 148 20 20 LEU CD2 C 27.620 0.300 2 149 20 20 LEU N N 120.517 0.300 1 150 21 21 GLU H H 8.692 0.030 1 151 21 21 GLU HA H 5.709 0.030 1 152 21 21 GLU HB2 H 1.964 0.030 2 153 21 21 GLU HB3 H 1.897 0.030 2 154 21 21 GLU HG2 H 2.579 0.030 2 155 21 21 GLU HG3 H 2.766 0.030 2 156 21 21 GLU C C 176.821 0.300 1 157 21 21 GLU CA C 54.021 0.300 1 158 21 21 GLU CB C 33.466 0.300 1 159 21 21 GLU CG C 38.170 0.300 1 160 21 21 GLU N N 116.243 0.300 1 161 22 22 GLY H H 8.584 0.030 1 162 22 22 GLY HA2 H 4.773 0.030 2 163 22 22 GLY HA3 H 3.959 0.030 2 164 22 22 GLY C C 171.068 0.300 1 165 22 22 GLY CA C 46.832 0.300 1 166 22 22 GLY N N 104.681 0.300 1 167 23 23 VAL H H 7.504 0.030 1 168 23 23 VAL HA H 4.175 0.030 1 169 23 23 VAL HB H 1.652 0.030 1 170 23 23 VAL HG1 H 0.575 0.030 1 171 23 23 VAL HG2 H 0.576 0.030 1 172 23 23 VAL C C 174.085 0.300 1 173 23 23 VAL CA C 60.632 0.300 1 174 23 23 VAL CB C 33.598 0.300 1 175 23 23 VAL CG1 C 21.239 0.300 2 176 23 23 VAL CG2 C 22.335 0.300 2 177 23 23 VAL N N 119.609 0.300 1 178 24 24 ASP H H 7.979 0.030 1 179 24 24 ASP HA H 4.498 0.030 1 180 24 24 ASP HB2 H 3.077 0.030 2 181 24 24 ASP HB3 H 2.538 0.030 2 182 24 24 ASP CA C 50.802 0.300 1 183 24 24 ASP CB C 42.050 0.300 1 184 24 24 ASP N N 123.896 0.300 1 185 25 25 PRO HA H 4.053 0.030 1 186 25 25 PRO HB2 H 2.071 0.030 2 187 25 25 PRO HB3 H 1.692 0.030 2 188 25 25 PRO HG2 H 1.296 0.030 2 189 25 25 PRO HG3 H 1.186 0.030 2 190 25 25 PRO HD2 H 3.378 0.030 2 191 25 25 PRO HD3 H 3.433 0.030 2 192 25 25 PRO C C 178.001 0.300 1 193 25 25 PRO CA C 64.393 0.300 1 194 25 25 PRO CB C 32.289 0.300 1 195 25 25 PRO CG C 27.280 0.300 1 196 25 25 PRO CD C 50.724 0.300 1 197 26 26 GLU H H 8.071 0.030 1 198 26 26 GLU HA H 4.091 0.030 1 199 26 26 GLU HB2 H 1.645 0.030 2 200 26 26 GLU HB3 H 1.540 0.030 2 201 26 26 GLU HG2 H 1.932 0.030 2 202 26 26 GLU HG3 H 2.155 0.030 2 203 26 26 GLU C C 176.150 0.300 1 204 26 26 GLU CA C 55.912 0.300 1 205 26 26 GLU CB C 30.653 0.300 1 206 26 26 GLU CG C 36.428 0.300 1 207 26 26 GLU N N 114.001 0.300 1 208 27 27 HIS H H 7.560 0.030 1 209 27 27 HIS HA H 4.723 0.030 1 210 27 27 HIS HB2 H 2.986 0.030 2 211 27 27 HIS HB3 H 2.724 0.030 2 212 27 27 HIS HD2 H 7.141 0.030 1 213 27 27 HIS HE1 H 8.213 0.030 1 214 27 27 HIS C C 173.046 0.300 1 215 27 27 HIS CA C 54.536 0.300 1 216 27 27 HIS CB C 29.794 0.300 1 217 27 27 HIS CD2 C 120.463 0.300 1 218 27 27 HIS CE1 C 135.926 0.300 1 219 27 27 HIS N N 118.187 0.300 1 220 28 28 GLN H H 8.272 0.030 1 221 28 28 GLN HA H 4.026 0.030 1 222 28 28 GLN HB2 H 2.108 0.030 2 223 28 28 GLN HB3 H 1.943 0.030 2 224 28 28 GLN HG2 H 2.357 0.030 1 225 28 28 GLN HG3 H 2.357 0.030 1 226 28 28 GLN HE21 H 7.496 0.030 2 227 28 28 GLN HE22 H 6.816 0.030 2 228 28 28 GLN C C 175.735 0.300 1 229 28 28 GLN CA C 57.888 0.300 1 230 28 28 GLN CB C 28.495 0.300 1 231 28 28 GLN CG C 34.063 0.300 1 232 28 28 GLN N N 119.357 0.300 1 233 28 28 GLN NE2 N 112.321 0.300 1 234 29 29 SER H H 8.161 0.030 1 235 29 29 SER HA H 4.236 0.030 1 236 29 29 SER HB2 H 4.129 0.030 2 237 29 29 SER HB3 H 4.065 0.030 2 238 29 29 SER C C 173.087 0.300 1 239 29 29 SER CA C 58.869 0.300 1 240 29 29 SER CB C 63.317 0.300 1 241 29 29 SER N N 112.541 0.300 1 242 30 30 VAL H H 7.705 0.030 1 243 30 30 VAL HA H 4.270 0.030 1 244 30 30 VAL HB H 2.087 0.030 1 245 30 30 VAL HG1 H 0.470 0.030 1 246 30 30 VAL HG2 H 0.658 0.030 1 247 30 30 VAL C C 173.591 0.300 1 248 30 30 VAL CA C 61.896 0.300 1 249 30 30 VAL CB C 32.582 0.300 1 250 30 30 VAL CG1 C 20.742 0.300 2 251 30 30 VAL CG2 C 21.070 0.300 2 252 30 30 VAL N N 122.688 0.300 1 253 31 31 TYR H H 8.718 0.030 1 254 31 31 TYR HA H 4.739 0.030 1 255 31 31 TYR HB2 H 3.433 0.030 2 256 31 31 TYR HB3 H 2.577 0.030 2 257 31 31 TYR HD1 H 6.918 0.030 1 258 31 31 TYR HD2 H 6.918 0.030 1 259 31 31 TYR HE1 H 6.563 0.030 1 260 31 31 TYR HE2 H 6.563 0.030 1 261 31 31 TYR C C 176.283 0.300 1 262 31 31 TYR CA C 58.631 0.300 1 263 31 31 TYR CB C 41.451 0.300 1 264 31 31 TYR CD1 C 132.410 0.300 1 265 31 31 TYR CD2 C 132.410 0.300 1 266 31 31 TYR CE1 C 118.363 0.300 1 267 31 31 TYR CE2 C 118.363 0.300 1 268 31 31 TYR N N 124.594 0.300 1 269 32 32 CYS H H 9.181 0.030 1 270 32 32 CYS HA H 5.267 0.030 1 271 32 32 CYS HB2 H 2.583 0.030 2 272 32 32 CYS HB3 H 3.295 0.030 2 273 32 32 CYS C C 173.403 0.300 1 274 32 32 CYS CA C 58.231 0.300 1 275 32 32 CYS CB C 33.759 0.300 1 276 32 32 CYS N N 118.585 0.300 1 277 33 33 VAL H H 7.442 0.030 1 278 33 33 VAL HA H 4.112 0.030 1 279 33 33 VAL HB H 1.618 0.030 1 280 33 33 VAL HG1 H 0.260 0.030 1 281 33 33 VAL HG2 H 0.909 0.030 1 282 33 33 VAL C C 174.737 0.300 1 283 33 33 VAL CA C 64.567 0.300 1 284 33 33 VAL CB C 32.624 0.300 1 285 33 33 VAL CG1 C 22.592 0.300 2 286 33 33 VAL CG2 C 21.090 0.300 2 287 33 33 VAL N N 121.950 0.300 1 288 34 34 LEU H H 8.721 0.030 1 289 34 34 LEU HA H 5.605 0.030 1 290 34 34 LEU HB2 H 1.425 0.030 2 291 34 34 LEU HB3 H 1.069 0.030 2 292 34 34 LEU HG H 1.502 0.030 1 293 34 34 LEU HD1 H 0.565 0.030 1 294 34 34 LEU HD2 H 0.116 0.030 1 295 34 34 LEU C C 176.004 0.300 1 296 34 34 LEU CA C 53.479 0.300 1 297 34 34 LEU CB C 47.483 0.300 1 298 34 34 LEU CG C 26.635 0.300 1 299 34 34 LEU CD1 C 27.324 0.300 2 300 34 34 LEU CD2 C 24.101 0.300 2 301 34 34 LEU N N 128.090 0.300 1 302 35 35 THR H H 8.841 0.030 1 303 35 35 THR HA H 5.138 0.030 1 304 35 35 THR HB H 3.778 0.030 1 305 35 35 THR HG2 H 1.144 0.030 1 306 35 35 THR C C 174.807 0.300 1 307 35 35 THR CA C 61.575 0.300 1 308 35 35 THR CB C 72.337 0.300 1 309 35 35 THR CG2 C 22.295 0.300 1 310 35 35 THR N N 113.939 0.300 1 311 36 36 VAL H H 8.806 0.030 1 312 36 36 VAL HA H 3.852 0.030 1 313 36 36 VAL HB H 2.318 0.030 1 314 36 36 VAL HG1 H 0.572 0.030 1 315 36 36 VAL HG2 H 0.791 0.030 1 316 36 36 VAL C C 174.539 0.300 1 317 36 36 VAL CA C 63.658 0.300 1 318 36 36 VAL CB C 31.139 0.300 1 319 36 36 VAL CG1 C 22.733 0.300 2 320 36 36 VAL CG2 C 22.079 0.300 2 321 36 36 VAL N N 124.229 0.300 1 322 37 37 ALA H H 9.671 0.030 1 323 37 37 ALA HA H 4.490 0.030 1 324 37 37 ALA HB H 1.085 0.030 1 325 37 37 ALA C C 176.734 0.300 1 326 37 37 ALA CA C 52.618 0.300 1 327 37 37 ALA CB C 20.740 0.300 1 328 37 37 ALA N N 135.197 0.300 1 329 38 38 GLU H H 7.435 0.030 1 330 38 38 GLU HA H 4.258 0.030 1 331 38 38 GLU HB2 H 1.820 0.030 2 332 38 38 GLU HB3 H 1.568 0.030 2 333 38 38 GLU HG2 H 2.301 0.030 1 334 38 38 GLU HG3 H 2.301 0.030 1 335 38 38 GLU C C 172.973 0.300 1 336 38 38 GLU CA C 56.299 0.300 1 337 38 38 GLU CB C 33.790 0.300 1 338 38 38 GLU CG C 36.998 0.300 1 339 38 38 GLU N N 116.671 0.300 1 340 39 39 VAL H H 8.774 0.030 1 341 39 39 VAL HA H 4.566 0.030 1 342 39 39 VAL HB H 1.981 0.030 1 343 39 39 VAL HG1 H 0.948 0.030 1 344 39 39 VAL HG2 H 0.772 0.030 1 345 39 39 VAL C C 175.127 0.300 1 346 39 39 VAL CA C 61.965 0.300 1 347 39 39 VAL CB C 34.853 0.300 1 348 39 39 VAL CG1 C 21.260 0.300 2 349 39 39 VAL CG2 C 20.717 0.300 2 350 39 39 VAL N N 123.038 0.300 1 351 40 40 CYS H H 8.648 0.030 1 352 40 40 CYS HA H 4.632 0.030 1 353 40 40 CYS HB2 H 2.946 0.030 2 354 40 40 CYS HB3 H 2.697 0.030 2 355 40 40 CYS C C 174.694 0.300 1 356 40 40 CYS CA C 58.623 0.300 1 357 40 40 CYS CB C 28.267 0.300 1 358 40 40 CYS N N 126.619 0.300 1 359 41 41 GLY HA2 H 3.982 0.030 2 360 41 41 GLY HA3 H 3.707 0.030 2 361 41 41 GLY CA C 47.223 0.300 1 362 42 42 TYR HA H 4.675 0.030 1 363 42 42 TYR HB2 H 3.045 0.030 2 364 42 42 TYR HB3 H 3.175 0.030 2 365 42 42 TYR HD1 H 7.133 0.030 1 366 42 42 TYR HD2 H 7.133 0.030 1 367 42 42 TYR HE1 H 6.753 0.030 1 368 42 42 TYR HE2 H 6.753 0.030 1 369 42 42 TYR C C 173.771 0.300 1 370 42 42 TYR CA C 57.813 0.300 1 371 42 42 TYR CB C 38.759 0.300 1 372 42 42 TYR CD1 C 133.079 0.300 1 373 42 42 TYR CD2 C 133.079 0.300 1 374 42 42 TYR CE1 C 118.314 0.300 1 375 42 42 TYR CE2 C 118.314 0.300 1 376 43 43 ARG H H 8.090 0.030 1 377 43 43 ARG HA H 5.188 0.030 1 378 43 43 ARG HB2 H 1.957 0.030 2 379 43 43 ARG HB3 H 2.036 0.030 2 380 43 43 ARG HG2 H 1.701 0.030 2 381 43 43 ARG HG3 H 1.619 0.030 2 382 43 43 ARG HD2 H 3.038 0.030 1 383 43 43 ARG HD3 H 3.038 0.030 1 384 43 43 ARG C C 175.360 0.300 1 385 43 43 ARG CA C 54.972 0.300 1 386 43 43 ARG CB C 34.082 0.300 1 387 43 43 ARG CG C 27.223 0.300 1 388 43 43 ARG CD C 43.907 0.300 1 389 43 43 ARG N N 117.988 0.300 1 390 44 44 ILE H H 9.128 0.030 1 391 44 44 ILE HA H 4.874 0.030 1 392 44 44 ILE HB H 1.375 0.030 1 393 44 44 ILE HG12 H 0.491 0.030 2 394 44 44 ILE HG13 H 1.058 0.030 2 395 44 44 ILE HG2 H 0.672 0.030 1 396 44 44 ILE HD1 H -0.311 0.030 1 397 44 44 ILE C C 171.641 0.300 1 398 44 44 ILE CA C 59.209 0.300 1 399 44 44 ILE CB C 41.550 0.300 1 400 44 44 ILE CG1 C 25.383 0.300 1 401 44 44 ILE CG2 C 20.014 0.300 1 402 44 44 ILE CD1 C 12.298 0.300 1 403 44 44 ILE N N 114.395 0.300 1 404 45 45 LYS H H 8.289 0.030 1 405 45 45 LYS HA H 3.920 0.030 1 406 45 45 LYS HB2 H -1.416 0.030 2 407 45 45 LYS HB3 H 0.738 0.030 2 408 45 45 LYS HG2 H 0.354 0.030 2 409 45 45 LYS HG3 H -0.419 0.030 2 410 45 45 LYS HD2 H 1.119 0.030 2 411 45 45 LYS HD3 H 1.204 0.030 2 412 45 45 LYS HE2 H 2.495 0.030 2 413 45 45 LYS HE3 H 2.652 0.030 2 414 45 45 LYS C C 174.866 0.300 1 415 45 45 LYS CA C 53.398 0.300 1 416 45 45 LYS CB C 33.482 0.300 1 417 45 45 LYS CG C 24.942 0.300 1 418 45 45 LYS CD C 29.011 0.300 1 419 45 45 LYS CE C 41.880 0.300 1 420 45 45 LYS N N 126.580 0.300 1 421 46 46 LEU H H 9.027 0.030 1 422 46 46 LEU HA H 4.606 0.030 1 423 46 46 LEU HB2 H 0.508 0.030 2 424 46 46 LEU HB3 H 0.385 0.030 2 425 46 46 LEU HG H 0.978 0.030 1 426 46 46 LEU HD1 H 0.394 0.030 1 427 46 46 LEU HD2 H 0.460 0.030 1 428 46 46 LEU C C 173.461 0.300 1 429 46 46 LEU CA C 52.917 0.300 1 430 46 46 LEU CB C 43.048 0.300 1 431 46 46 LEU CG C 26.874 0.300 1 432 46 46 LEU CD1 C 25.027 0.300 2 433 46 46 LEU CD2 C 27.024 0.300 2 434 46 46 LEU N N 128.568 0.300 1 435 47 47 HIS H H 8.746 0.030 1 436 47 47 HIS HA H 5.039 0.030 1 437 47 47 HIS HB2 H 2.816 0.030 2 438 47 47 HIS HB3 H 2.948 0.030 2 439 47 47 HIS HD2 H 7.129 0.030 1 440 47 47 HIS HE1 H 8.479 0.030 1 441 47 47 HIS C C 174.137 0.300 1 442 47 47 HIS CA C 53.152 0.300 1 443 47 47 HIS CB C 32.559 0.300 1 444 47 47 HIS CD2 C 118.728 0.300 1 445 47 47 HIS CE1 C 136.920 0.300 1 446 47 47 HIS N N 117.726 0.300 1 447 48 48 PHE H H 8.413 0.030 1 448 48 48 PHE HA H 4.749 0.030 1 449 48 48 PHE HB2 H 2.859 0.030 2 450 48 48 PHE HB3 H 2.689 0.030 2 451 48 48 PHE HD1 H 7.227 0.030 1 452 48 48 PHE HD2 H 7.227 0.030 1 453 48 48 PHE HE1 H 7.499 0.030 1 454 48 48 PHE HE2 H 7.499 0.030 1 455 48 48 PHE HZ H 7.049 0.030 1 456 48 48 PHE C C 175.109 0.300 1 457 48 48 PHE CA C 56.398 0.300 1 458 48 48 PHE CB C 38.521 0.300 1 459 48 48 PHE CD1 C 132.274 0.300 1 460 48 48 PHE CD2 C 132.274 0.300 1 461 48 48 PHE CE1 C 131.430 0.300 1 462 48 48 PHE CE2 C 131.430 0.300 1 463 48 48 PHE CZ C 129.641 0.300 1 464 48 48 PHE N N 125.449 0.300 1 465 49 49 ASP H H 8.136 0.030 1 466 49 49 ASP HA H 4.330 0.030 1 467 49 49 ASP HB2 H 2.413 0.030 2 468 49 49 ASP HB3 H 2.600 0.030 2 469 49 49 ASP CA C 57.318 0.300 1 470 49 49 ASP CB C 39.766 0.300 1 471 49 49 ASP N N 126.433 0.300 1 472 50 50 GLY H H 8.902 0.030 1 473 50 50 GLY HA2 H 4.312 0.030 2 474 50 50 GLY HA3 H 3.799 0.030 2 475 50 50 GLY C C 173.844 0.300 1 476 50 50 GLY CA C 45.786 0.300 1 477 50 50 GLY N N 111.157 0.300 1 478 51 51 TYR H H 8.484 0.030 1 479 51 51 TYR HA H 4.761 0.030 1 480 51 51 TYR HB2 H 3.223 0.030 1 481 51 51 TYR HB3 H 3.223 0.030 1 482 51 51 TYR HD1 H 7.018 0.030 1 483 51 51 TYR HD2 H 7.018 0.030 1 484 51 51 TYR HE1 H 6.679 0.030 1 485 51 51 TYR HE2 H 6.679 0.030 1 486 51 51 TYR C C 175.921 0.300 1 487 51 51 TYR CA C 57.535 0.300 1 488 51 51 TYR CB C 40.367 0.300 1 489 51 51 TYR CD1 C 133.987 0.300 1 490 51 51 TYR CD2 C 133.987 0.300 1 491 51 51 TYR CE1 C 117.850 0.300 1 492 51 51 TYR CE2 C 117.850 0.300 1 493 51 51 TYR N N 119.796 0.300 1 494 52 52 SER H H 8.615 0.030 1 495 52 52 SER HA H 4.622 0.030 1 496 52 52 SER HB2 H 4.273 0.030 2 497 52 52 SER HB3 H 4.071 0.030 2 498 52 52 SER C C 176.083 0.300 1 499 52 52 SER CA C 58.789 0.300 1 500 52 52 SER CB C 63.552 0.300 1 501 52 52 SER N N 112.939 0.300 1 502 53 53 ASP H H 8.881 0.030 1 503 53 53 ASP HA H 4.809 0.030 1 504 53 53 ASP HB2 H 2.779 0.030 2 505 53 53 ASP HB3 H 2.826 0.030 2 506 53 53 ASP C C 178.043 0.300 1 507 53 53 ASP CA C 55.762 0.300 1 508 53 53 ASP CB C 39.994 0.300 1 509 53 53 ASP N N 125.683 0.300 1 510 54 54 CYS H H 8.341 0.030 1 511 54 54 CYS HA H 4.326 0.030 1 512 54 54 CYS HB2 H 2.830 0.030 2 513 54 54 CYS HB3 H 2.640 0.030 2 514 54 54 CYS C C 175.353 0.300 1 515 54 54 CYS CA C 60.309 0.300 1 516 54 54 CYS CB C 26.599 0.300 1 517 54 54 CYS N N 118.536 0.300 1 518 55 55 TYR H H 7.058 0.030 1 519 55 55 TYR HA H 4.777 0.030 1 520 55 55 TYR HB2 H 3.153 0.030 2 521 55 55 TYR HB3 H 3.427 0.030 2 522 55 55 TYR HD1 H 7.222 0.030 1 523 55 55 TYR HD2 H 7.222 0.030 1 524 55 55 TYR HE1 H 6.895 0.030 1 525 55 55 TYR HE2 H 6.895 0.030 1 526 55 55 TYR C C 174.755 0.300 1 527 55 55 TYR CA C 57.748 0.300 1 528 55 55 TYR CB C 38.242 0.300 1 529 55 55 TYR CD1 C 133.168 0.300 1 530 55 55 TYR CD2 C 133.168 0.300 1 531 55 55 TYR CE1 C 118.513 0.300 1 532 55 55 TYR CE2 C 118.513 0.300 1 533 55 55 TYR N N 118.811 0.300 1 534 56 56 ASP H H 7.721 0.030 1 535 56 56 ASP HA H 5.143 0.030 1 536 56 56 ASP HB2 H 2.731 0.030 2 537 56 56 ASP HB3 H 2.226 0.030 2 538 56 56 ASP C C 176.341 0.300 1 539 56 56 ASP CA C 55.656 0.300 1 540 56 56 ASP CB C 40.562 0.300 1 541 56 56 ASP N N 120.698 0.300 1 542 57 57 PHE H H 8.338 0.030 1 543 57 57 PHE HA H 5.224 0.030 1 544 57 57 PHE HB2 H 3.176 0.030 2 545 57 57 PHE HB3 H 3.119 0.030 2 546 57 57 PHE HD1 H 7.302 0.030 1 547 57 57 PHE HD2 H 7.302 0.030 1 548 57 57 PHE HE1 H 6.710 0.030 1 549 57 57 PHE HE2 H 6.710 0.030 1 550 57 57 PHE HZ H 6.814 0.030 1 551 57 57 PHE C C 171.896 0.300 1 552 57 57 PHE CA C 55.437 0.300 1 553 57 57 PHE CB C 41.905 0.300 1 554 57 57 PHE CD1 C 132.759 0.300 1 555 57 57 PHE CD2 C 132.759 0.300 1 556 57 57 PHE CE1 C 131.319 0.300 1 557 57 57 PHE CE2 C 131.319 0.300 1 558 57 57 PHE CZ C 129.606 0.300 1 559 57 57 PHE N N 117.734 0.300 1 560 58 58 TRP H H 8.843 0.030 1 561 58 58 TRP HA H 5.383 0.030 1 562 58 58 TRP HB2 H 2.917 0.030 2 563 58 58 TRP HB3 H 3.054 0.030 2 564 58 58 TRP HD1 H 7.337 0.030 1 565 58 58 TRP HE1 H 10.307 0.030 1 566 58 58 TRP HE3 H 7.246 0.030 1 567 58 58 TRP HZ2 H 7.394 0.030 1 568 58 58 TRP HZ3 H 6.526 0.030 1 569 58 58 TRP HH2 H 6.871 0.030 1 570 58 58 TRP C C 177.235 0.300 1 571 58 58 TRP CA C 56.447 0.300 1 572 58 58 TRP CB C 32.022 0.300 1 573 58 58 TRP CD1 C 127.754 0.300 1 574 58 58 TRP CE3 C 120.998 0.300 1 575 58 58 TRP CZ2 C 115.159 0.300 1 576 58 58 TRP CZ3 C 120.969 0.300 1 577 58 58 TRP CH2 C 123.770 0.300 1 578 58 58 TRP N N 120.580 0.300 1 579 58 58 TRP NE1 N 129.710 0.300 1 580 59 59 VAL H H 9.195 0.030 1 581 59 59 VAL HA H 4.729 0.030 1 582 59 59 VAL HB H 2.348 0.030 1 583 59 59 VAL HG1 H 1.050 0.030 1 584 59 59 VAL HG2 H 0.651 0.030 1 585 59 59 VAL C C 174.937 0.300 1 586 59 59 VAL CA C 59.439 0.300 1 587 59 59 VAL CB C 36.615 0.300 1 588 59 59 VAL CG1 C 22.921 0.300 2 589 59 59 VAL CG2 C 19.716 0.300 2 590 59 59 VAL N N 114.281 0.300 1 591 60 60 ASN H H 8.621 0.030 1 592 60 60 ASN HA H 5.041 0.030 1 593 60 60 ASN HB2 H 3.070 0.030 2 594 60 60 ASN HB3 H 2.810 0.030 2 595 60 60 ASN HD21 H 7.984 0.030 2 596 60 60 ASN HD22 H 6.970 0.030 2 597 60 60 ASN C C 176.799 0.300 1 598 60 60 ASN CA C 53.136 0.300 1 599 60 60 ASN CB C 39.129 0.300 1 600 60 60 ASN N N 119.796 0.300 1 601 60 60 ASN ND2 N 112.884 0.300 1 602 61 61 ALA H H 8.430 0.030 1 603 61 61 ALA HA H 3.708 0.030 1 604 61 61 ALA HB H 1.057 0.030 1 605 61 61 ALA C C 176.146 0.300 1 606 61 61 ALA CA C 54.302 0.300 1 607 61 61 ALA CB C 17.287 0.300 1 608 61 61 ALA N N 120.422 0.300 1 609 62 62 ASP H H 7.851 0.030 1 610 62 62 ASP HA H 4.720 0.030 1 611 62 62 ASP HB2 H 3.079 0.030 2 612 62 62 ASP HB3 H 2.697 0.030 2 613 62 62 ASP C C 176.065 0.300 1 614 62 62 ASP CA C 52.097 0.300 1 615 62 62 ASP CB C 39.766 0.300 1 616 62 62 ASP N N 114.096 0.300 1 617 63 63 ALA H H 7.440 0.030 1 618 63 63 ALA HA H 4.169 0.030 1 619 63 63 ALA HB H 1.612 0.030 1 620 63 63 ALA C C 177.903 0.300 1 621 63 63 ALA CA C 53.199 0.300 1 622 63 63 ALA CB C 18.995 0.300 1 623 63 63 ALA N N 121.918 0.300 1 624 64 64 LEU H H 8.273 0.030 1 625 64 64 LEU HA H 4.266 0.030 1 626 64 64 LEU HB2 H 1.707 0.030 2 627 64 64 LEU HB3 H 1.640 0.030 2 628 64 64 LEU HG H 1.848 0.030 1 629 64 64 LEU HD1 H 0.974 0.030 1 630 64 64 LEU HD2 H 1.017 0.030 1 631 64 64 LEU C C 177.887 0.300 1 632 64 64 LEU CA C 56.106 0.300 1 633 64 64 LEU CB C 42.387 0.300 1 634 64 64 LEU CG C 27.230 0.300 1 635 64 64 LEU CD1 C 23.229 0.300 2 636 64 64 LEU CD2 C 25.306 0.300 2 637 64 64 LEU N N 118.281 0.300 1 638 65 65 ASP H H 7.535 0.030 1 639 65 65 ASP HA H 4.668 0.030 1 640 65 65 ASP HB2 H 2.478 0.030 2 641 65 65 ASP HB3 H 3.013 0.030 2 642 65 65 ASP C C 174.428 0.300 1 643 65 65 ASP CA C 54.205 0.300 1 644 65 65 ASP CB C 41.486 0.300 1 645 65 65 ASP N N 113.497 0.300 1 646 66 66 ILE H H 6.418 0.030 1 647 66 66 ILE HA H 4.793 0.030 1 648 66 66 ILE HB H 1.854 0.030 1 649 66 66 ILE HG12 H 1.569 0.030 2 650 66 66 ILE HG13 H 0.978 0.030 2 651 66 66 ILE HG2 H 0.704 0.030 1 652 66 66 ILE HD1 H 0.600 0.030 1 653 66 66 ILE C C 172.997 0.300 1 654 66 66 ILE CA C 59.485 0.300 1 655 66 66 ILE CB C 40.666 0.300 1 656 66 66 ILE CG1 C 24.502 0.300 1 657 66 66 ILE CG2 C 18.297 0.300 1 658 66 66 ILE CD1 C 13.299 0.300 1 659 66 66 ILE N N 109.248 0.300 1 660 67 67 HIS H H 9.091 0.030 1 661 67 67 HIS HA H 4.346 0.030 1 662 67 67 HIS HB2 H 2.500 0.030 2 663 67 67 HIS HB3 H 1.837 0.030 2 664 67 67 HIS HD2 H 5.385 0.030 1 665 67 67 HIS HE1 H 8.038 0.030 1 666 67 67 HIS C C 169.065 0.300 1 667 67 67 HIS CA C 52.737 0.300 1 668 67 67 HIS CB C 31.504 0.300 1 669 67 67 HIS CD2 C 117.693 0.300 1 670 67 67 HIS CE1 C 136.474 0.300 1 671 67 67 HIS N N 117.847 0.300 1 672 68 68 PRO HA H 4.525 0.030 1 673 68 68 PRO HB2 H 1.810 0.030 1 674 68 68 PRO HB3 H 1.810 0.030 1 675 68 68 PRO HG2 H 1.725 0.030 2 676 68 68 PRO HG3 H 1.899 0.030 2 677 68 68 PRO HD2 H 3.261 0.030 2 678 68 68 PRO HD3 H 2.608 0.030 2 679 68 68 PRO CA C 60.900 0.300 1 680 68 68 PRO CB C 31.371 0.300 1 681 68 68 PRO CG C 26.814 0.300 1 682 68 68 PRO CD C 49.611 0.300 1 683 69 69 VAL H H 8.415 0.030 1 684 69 69 VAL HA H 3.033 0.030 1 685 69 69 VAL HB H 1.037 0.030 1 686 69 69 VAL HG1 H -0.286 0.030 1 687 69 69 VAL HG2 H -0.089 0.030 1 688 69 69 VAL CA C 64.737 0.300 1 689 69 69 VAL CB C 31.515 0.300 1 690 69 69 VAL CG1 C 19.145 0.300 2 691 69 69 VAL CG2 C 20.399 0.300 2 692 69 69 VAL N N 115.906 0.300 1 693 70 70 GLY H H 8.820 0.030 1 694 70 70 GLY HA2 H 4.390 0.030 2 695 70 70 GLY HA3 H 4.017 0.030 2 696 70 70 GLY C C 174.737 0.300 1 697 70 70 GLY CA C 45.042 0.300 1 698 70 70 GLY N N 117.148 0.300 1 699 71 71 TRP H H 8.432 0.030 1 700 71 71 TRP HA H 3.952 0.030 1 701 71 71 TRP HB2 H 3.110 0.030 2 702 71 71 TRP HB3 H 3.379 0.030 2 703 71 71 TRP HD1 H 7.193 0.030 1 704 71 71 TRP HE1 H 9.912 0.030 1 705 71 71 TRP HE3 H 7.102 0.030 1 706 71 71 TRP HZ2 H 6.927 0.030 1 707 71 71 TRP HZ3 H 5.105 0.030 1 708 71 71 TRP HH2 H 5.963 0.030 1 709 71 71 TRP C C 180.065 0.300 1 710 71 71 TRP CA C 62.967 0.300 1 711 71 71 TRP CB C 29.626 0.300 1 712 71 71 TRP CD1 C 125.774 0.300 1 713 71 71 TRP CE3 C 120.053 0.300 1 714 71 71 TRP CZ2 C 113.648 0.300 1 715 71 71 TRP CZ3 C 122.181 0.300 1 716 71 71 TRP CH2 C 123.921 0.300 1 717 71 71 TRP N N 126.706 0.300 1 718 71 71 TRP NE1 N 129.710 0.300 1 719 72 72 CYS H H 11.848 0.030 1 720 72 72 CYS HA H 3.427 0.030 1 721 72 72 CYS HB2 H 3.166 0.030 2 722 72 72 CYS HB3 H 2.850 0.030 2 723 72 72 CYS C C 177.021 0.300 1 724 72 72 CYS CA C 66.942 0.300 1 725 72 72 CYS CB C 25.874 0.300 1 726 72 72 CYS N N 125.942 0.300 1 727 73 73 GLU H H 8.665 0.030 1 728 73 73 GLU HA H 3.991 0.030 1 729 73 73 GLU HB2 H 2.069 0.030 2 730 73 73 GLU HB3 H 2.222 0.030 2 731 73 73 GLU HG2 H 2.221 0.030 2 732 73 73 GLU HG3 H 2.350 0.030 2 733 73 73 GLU C C 179.052 0.300 1 734 73 73 GLU CA C 58.928 0.300 1 735 73 73 GLU CB C 29.539 0.300 1 736 73 73 GLU CG C 35.983 0.300 1 737 73 73 GLU N N 120.458 0.300 1 738 74 74 LYS H H 7.816 0.030 1 739 74 74 LYS HA H 4.059 0.030 1 740 74 74 LYS HB2 H 1.806 0.030 1 741 74 74 LYS HB3 H 1.806 0.030 1 742 74 74 LYS HG2 H 1.402 0.030 2 743 74 74 LYS HG3 H 1.478 0.030 2 744 74 74 LYS HD2 H 1.630 0.030 1 745 74 74 LYS HD3 H 1.630 0.030 1 746 74 74 LYS HE2 H 2.953 0.030 1 747 74 74 LYS HE3 H 2.953 0.030 1 748 74 74 LYS C C 178.296 0.300 1 749 74 74 LYS CA C 58.387 0.300 1 750 74 74 LYS CB C 32.951 0.300 1 751 74 74 LYS CG C 24.891 0.300 1 752 74 74 LYS CD C 29.031 0.300 1 753 74 74 LYS CE C 42.302 0.300 1 754 74 74 LYS N N 118.017 0.300 1 755 75 75 THR H H 7.688 0.030 1 756 75 75 THR HA H 4.062 0.030 1 757 75 75 THR HB H 3.823 0.030 1 758 75 75 THR HG2 H 0.378 0.030 1 759 75 75 THR C C 175.038 0.300 1 760 75 75 THR CA C 61.784 0.300 1 761 75 75 THR CB C 70.555 0.300 1 762 75 75 THR CG2 C 19.335 0.300 1 763 75 75 THR N N 106.478 0.300 1 764 76 76 GLY H H 7.606 0.030 1 765 76 76 GLY HA2 H 3.857 0.030 2 766 76 76 GLY HA3 H 3.724 0.030 2 767 76 76 GLY C C 174.987 0.300 1 768 76 76 GLY CA C 46.380 0.300 1 769 76 76 GLY N N 110.500 0.300 1 770 77 77 HIS H H 7.948 0.030 1 771 77 77 HIS HA H 4.616 0.030 1 772 77 77 HIS HB2 H 3.090 0.030 2 773 77 77 HIS HB3 H 2.306 0.030 2 774 77 77 HIS HD2 H 7.302 0.030 1 775 77 77 HIS HE1 H 8.174 0.030 1 776 77 77 HIS C C 173.783 0.300 1 777 77 77 HIS CA C 56.534 0.300 1 778 77 77 HIS CB C 32.018 0.300 1 779 77 77 HIS CD2 C 122.092 0.300 1 780 77 77 HIS CE1 C 136.866 0.300 1 781 77 77 HIS N N 117.849 0.300 1 782 78 78 LYS H H 8.981 0.030 1 783 78 78 LYS HA H 4.199 0.030 1 784 78 78 LYS HB2 H 1.903 0.030 2 785 78 78 LYS HB3 H 1.837 0.030 2 786 78 78 LYS HG2 H 1.171 0.030 2 787 78 78 LYS HG3 H 1.341 0.030 2 788 78 78 LYS HD2 H 1.656 0.030 1 789 78 78 LYS HD3 H 1.656 0.030 1 790 78 78 LYS HE2 H 2.846 0.030 1 791 78 78 LYS HE3 H 2.846 0.030 1 792 78 78 LYS C C 174.472 0.300 1 793 78 78 LYS CA C 56.163 0.300 1 794 78 78 LYS CB C 32.842 0.300 1 795 78 78 LYS CG C 24.742 0.300 1 796 78 78 LYS CD C 28.810 0.300 1 797 78 78 LYS CE C 42.000 0.300 1 798 78 78 LYS N N 123.682 0.300 1 799 79 79 LEU H H 8.433 0.030 1 800 79 79 LEU HA H 4.734 0.030 1 801 79 79 LEU HB2 H 1.791 0.030 2 802 79 79 LEU HB3 H 1.427 0.030 2 803 79 79 LEU HG H 1.655 0.030 1 804 79 79 LEU HD1 H 0.923 0.030 1 805 79 79 LEU HD2 H 0.889 0.030 1 806 79 79 LEU C C 176.440 0.300 1 807 79 79 LEU CA C 53.487 0.300 1 808 79 79 LEU CB C 43.692 0.300 1 809 79 79 LEU CG C 28.817 0.300 1 810 79 79 LEU CD1 C 23.149 0.300 2 811 79 79 LEU CD2 C 27.347 0.300 2 812 79 79 LEU N N 128.683 0.300 1 813 80 80 HIS H H 9.589 0.030 1 814 80 80 HIS HA H 4.762 0.030 1 815 80 80 HIS HB2 H 3.356 0.030 2 816 80 80 HIS HB3 H 3.175 0.030 2 817 80 80 HIS HD2 H 7.322 0.030 1 818 80 80 HIS HE1 H 8.155 0.030 1 819 80 80 HIS C C 173.061 0.300 1 820 80 80 HIS CA C 54.073 0.300 1 821 80 80 HIS CB C 28.889 0.300 1 822 80 80 HIS CD2 C 121.904 0.300 1 823 80 80 HIS CE1 C 137.460 0.300 1 824 80 80 HIS N N 130.316 0.300 1 825 81 81 PRO HA H 3.553 0.030 1 826 81 81 PRO HB2 H 1.535 0.030 2 827 81 81 PRO HB3 H 1.363 0.030 2 828 81 81 PRO HG2 H 1.735 0.030 2 829 81 81 PRO HG3 H 1.583 0.030 2 830 81 81 PRO HD2 H 3.519 0.030 2 831 81 81 PRO HD3 H 3.879 0.030 2 832 81 81 PRO CA C 60.919 0.300 1 833 81 81 PRO CB C 30.453 0.300 1 834 81 81 PRO CG C 26.738 0.300 1 835 81 81 PRO CD C 50.234 0.300 1 836 82 82 PRO HA H 4.457 0.030 1 837 82 82 PRO HB2 H 1.998 0.030 2 838 82 82 PRO HB3 H 1.596 0.030 2 839 82 82 PRO HG2 H 1.646 0.030 2 840 82 82 PRO HG3 H 1.827 0.030 2 841 82 82 PRO HD2 H 3.432 0.030 1 842 82 82 PRO HD3 H 3.432 0.030 1 843 82 82 PRO C C 175.483 0.300 1 844 82 82 PRO CA C 62.235 0.300 1 845 82 82 PRO CB C 31.548 0.300 1 846 82 82 PRO CG C 24.783 0.300 1 847 82 82 PRO CD C 50.354 0.300 1 848 83 83 LYS H H 6.514 0.030 1 849 83 83 LYS HA H 3.864 0.030 1 850 83 83 LYS HB2 H 1.162 0.030 2 851 83 83 LYS HB3 H 0.495 0.030 2 852 83 83 LYS HG2 H 1.115 0.030 1 853 83 83 LYS HG3 H 1.115 0.030 1 854 83 83 LYS HD2 H 1.309 0.030 2 855 83 83 LYS HD3 H 1.205 0.030 2 856 83 83 LYS HE2 H 2.788 0.030 1 857 83 83 LYS HE3 H 2.788 0.030 1 858 83 83 LYS C C 177.096 0.300 1 859 83 83 LYS CA C 58.613 0.300 1 860 83 83 LYS CB C 31.923 0.300 1 861 83 83 LYS CG C 24.875 0.300 1 862 83 83 LYS CD C 28.970 0.300 1 863 83 83 LYS CE C 42.165 0.300 1 864 83 83 LYS N N 121.439 0.300 1 865 84 84 GLY H H 8.822 0.030 1 866 84 84 GLY HA2 H 3.571 0.030 2 867 84 84 GLY HA3 H 4.268 0.030 2 868 84 84 GLY C C 174.297 0.300 1 869 84 84 GLY CA C 44.924 0.300 1 870 84 84 GLY N N 113.971 0.300 1 871 85 85 TYR H H 7.947 0.030 1 872 85 85 TYR HA H 4.506 0.030 1 873 85 85 TYR HB2 H 3.031 0.030 2 874 85 85 TYR HB3 H 2.730 0.030 2 875 85 85 TYR HD1 H 7.063 0.030 1 876 85 85 TYR HD2 H 7.063 0.030 1 877 85 85 TYR HE1 H 6.966 0.030 1 878 85 85 TYR HE2 H 6.966 0.030 1 879 85 85 TYR C C 176.277 0.300 1 880 85 85 TYR CA C 58.167 0.300 1 881 85 85 TYR CB C 40.077 0.300 1 882 85 85 TYR CD1 C 132.905 0.300 1 883 85 85 TYR CD2 C 132.905 0.300 1 884 85 85 TYR CE1 C 118.539 0.300 1 885 85 85 TYR CE2 C 118.539 0.300 1 886 85 85 TYR N N 120.394 0.300 1 887 86 86 LYS H H 8.731 0.030 1 888 86 86 LYS HA H 4.423 0.030 1 889 86 86 LYS HB2 H 2.044 0.030 2 890 86 86 LYS HB3 H 1.565 0.030 2 891 86 86 LYS HG2 H 1.443 0.030 2 892 86 86 LYS HG3 H 1.535 0.030 2 893 86 86 LYS HD2 H 1.704 0.030 1 894 86 86 LYS HD3 H 1.704 0.030 1 895 86 86 LYS HE2 H 2.983 0.030 1 896 86 86 LYS HE3 H 2.983 0.030 1 897 86 86 LYS C C 178.009 0.300 1 898 86 86 LYS CA C 55.926 0.300 1 899 86 86 LYS CB C 33.290 0.300 1 900 86 86 LYS CG C 25.103 0.300 1 901 86 86 LYS CD C 29.347 0.300 1 902 86 86 LYS CE C 42.157 0.300 1 903 86 86 LYS N N 122.425 0.300 1 904 87 87 GLU H H 8.797 0.030 1 905 87 87 GLU HA H 3.922 0.030 1 906 87 87 GLU HB2 H 2.078 0.030 1 907 87 87 GLU HB3 H 2.078 0.030 1 908 87 87 GLU HG2 H 2.275 0.030 2 909 87 87 GLU HG3 H 2.370 0.030 2 910 87 87 GLU C C 178.176 0.300 1 911 87 87 GLU CA C 59.917 0.300 1 912 87 87 GLU CB C 29.525 0.300 1 913 87 87 GLU CG C 36.285 0.300 1 914 87 87 GLU N N 123.525 0.300 1 915 88 88 GLU H H 9.451 0.030 1 916 88 88 GLU HA H 4.269 0.030 1 917 88 88 GLU HB2 H 2.082 0.030 2 918 88 88 GLU HB3 H 2.145 0.030 2 919 88 88 GLU HG2 H 2.297 0.030 2 920 88 88 GLU HG3 H 2.373 0.030 2 921 88 88 GLU C C 176.659 0.300 1 922 88 88 GLU CA C 58.371 0.300 1 923 88 88 GLU CB C 28.990 0.300 1 924 88 88 GLU CG C 36.367 0.300 1 925 88 88 GLU N N 116.525 0.300 1 926 89 89 GLU H H 7.628 0.030 1 927 89 89 GLU HA H 4.495 0.030 1 928 89 89 GLU HB2 H 2.232 0.030 2 929 89 89 GLU HB3 H 2.152 0.030 2 930 89 89 GLU HG2 H 2.236 0.030 2 931 89 89 GLU HG3 H 2.366 0.030 2 932 89 89 GLU C C 176.158 0.300 1 933 89 89 GLU CA C 55.656 0.300 1 934 89 89 GLU CB C 31.627 0.300 1 935 89 89 GLU CG C 36.615 0.300 1 936 89 89 GLU N N 116.975 0.300 1 937 90 90 PHE H H 7.873 0.030 1 938 90 90 PHE HA H 4.206 0.030 1 939 90 90 PHE HB2 H 2.848 0.030 2 940 90 90 PHE HB3 H 2.590 0.030 2 941 90 90 PHE HD1 H 6.289 0.030 1 942 90 90 PHE HD2 H 6.289 0.030 1 943 90 90 PHE HE1 H 5.379 0.030 1 944 90 90 PHE HE2 H 5.379 0.030 1 945 90 90 PHE HZ H 5.233 0.030 1 946 90 90 PHE C C 173.519 0.300 1 947 90 90 PHE CA C 59.498 0.300 1 948 90 90 PHE CB C 40.118 0.300 1 949 90 90 PHE CD1 C 130.713 0.300 1 950 90 90 PHE CD2 C 130.713 0.300 1 951 90 90 PHE CE1 C 130.782 0.300 1 952 90 90 PHE CE2 C 130.782 0.300 1 953 90 90 PHE CZ C 128.948 0.300 1 954 90 90 PHE N N 121.713 0.300 1 955 91 91 ASN H H 7.117 0.030 1 956 91 91 ASN HA H 4.491 0.030 1 957 91 91 ASN HB2 H 2.715 0.030 2 958 91 91 ASN HB3 H 2.671 0.030 2 959 91 91 ASN HD21 H 7.779 0.030 2 960 91 91 ASN HD22 H 7.019 0.030 2 961 91 91 ASN C C 173.899 0.300 1 962 91 91 ASN CA C 52.266 0.300 1 963 91 91 ASN CB C 41.847 0.300 1 964 91 91 ASN N N 125.910 0.300 1 965 91 91 ASN ND2 N 114.144 0.300 1 966 92 92 TRP H H 9.234 0.030 1 967 92 92 TRP HA H 4.227 0.030 1 968 92 92 TRP HB2 H 3.195 0.030 2 969 92 92 TRP HB3 H 3.075 0.030 2 970 92 92 TRP HD1 H 7.454 0.030 1 971 92 92 TRP HE1 H 12.024 0.030 1 972 92 92 TRP HE3 H 8.024 0.030 1 973 92 92 TRP HZ2 H 7.629 0.030 1 974 92 92 TRP HZ3 H 7.114 0.030 1 975 92 92 TRP HH2 H 7.509 0.030 1 976 92 92 TRP C C 178.461 0.300 1 977 92 92 TRP CA C 61.250 0.300 1 978 92 92 TRP CB C 31.220 0.300 1 979 92 92 TRP CD1 C 127.048 0.300 1 980 92 92 TRP CE3 C 121.136 0.300 1 981 92 92 TRP CZ2 C 115.680 0.300 1 982 92 92 TRP CZ3 C 121.130 0.300 1 983 92 92 TRP CH2 C 126.359 0.300 1 984 92 92 TRP N N 126.543 0.300 1 985 92 92 TRP NE1 N 133.684 0.300 1 986 93 93 GLN H H 8.273 0.030 1 987 93 93 GLN HA H 4.139 0.030 1 988 93 93 GLN HB2 H 2.283 0.030 2 989 93 93 GLN HB3 H 2.203 0.030 2 990 93 93 GLN HG2 H 2.515 0.030 1 991 93 93 GLN HG3 H 2.515 0.030 1 992 93 93 GLN HE21 H 6.938 0.030 2 993 93 93 GLN HE22 H 7.637 0.030 2 994 93 93 GLN C C 179.761 0.300 1 995 93 93 GLN CA C 60.016 0.300 1 996 93 93 GLN CB C 27.943 0.300 1 997 93 93 GLN CG C 34.432 0.300 1 998 93 93 GLN N N 115.515 0.300 1 999 93 93 GLN NE2 N 112.609 0.300 1 1000 94 94 THR H H 8.139 0.030 1 1001 94 94 THR HA H 4.045 0.030 1 1002 94 94 THR HB H 4.262 0.030 1 1003 94 94 THR HG2 H 1.338 0.030 1 1004 94 94 THR C C 176.451 0.300 1 1005 94 94 THR CA C 65.745 0.300 1 1006 94 94 THR CB C 68.604 0.300 1 1007 94 94 THR CG2 C 22.286 0.300 1 1008 94 94 THR N N 115.678 0.300 1 1009 95 95 TYR H H 8.585 0.030 1 1010 95 95 TYR HA H 4.483 0.030 1 1011 95 95 TYR HB2 H 2.805 0.030 1 1012 95 95 TYR HB3 H 2.805 0.030 1 1013 95 95 TYR HD1 H 7.197 0.030 1 1014 95 95 TYR HD2 H 7.197 0.030 1 1015 95 95 TYR HE1 H 6.692 0.030 1 1016 95 95 TYR HE2 H 6.692 0.030 1 1017 95 95 TYR C C 178.468 0.300 1 1018 95 95 TYR CA C 61.883 0.300 1 1019 95 95 TYR CB C 39.992 0.300 1 1020 95 95 TYR CD1 C 132.710 0.300 1 1021 95 95 TYR CD2 C 132.710 0.300 1 1022 95 95 TYR CE1 C 117.850 0.300 1 1023 95 95 TYR CE2 C 117.850 0.300 1 1024 95 95 TYR N N 125.140 0.300 1 1025 96 96 LEU H H 9.135 0.030 1 1026 96 96 LEU HA H 3.794 0.030 1 1027 96 96 LEU HB2 H 2.064 0.030 2 1028 96 96 LEU HB3 H 1.748 0.030 2 1029 96 96 LEU HG H 2.541 0.030 1 1030 96 96 LEU HD1 H 1.003 0.030 1 1031 96 96 LEU HD2 H 0.887 0.030 1 1032 96 96 LEU C C 179.239 0.300 1 1033 96 96 LEU CA C 59.121 0.300 1 1034 96 96 LEU CB C 40.765 0.300 1 1035 96 96 LEU CG C 27.679 0.300 1 1036 96 96 LEU CD1 C 26.283 0.300 2 1037 96 96 LEU CD2 C 23.478 0.300 2 1038 96 96 LEU N N 118.926 0.300 1 1039 97 97 LYS H H 7.364 0.030 1 1040 97 97 LYS HA H 4.239 0.030 1 1041 97 97 LYS HB2 H 2.071 0.030 1 1042 97 97 LYS HB3 H 2.071 0.030 1 1043 97 97 LYS HG2 H 1.660 0.030 2 1044 97 97 LYS HG3 H 1.503 0.030 2 1045 97 97 LYS HD2 H 1.771 0.030 1 1046 97 97 LYS HD3 H 1.771 0.030 1 1047 97 97 LYS HE2 H 3.056 0.030 1 1048 97 97 LYS HE3 H 3.056 0.030 1 1049 97 97 LYS C C 180.576 0.300 1 1050 97 97 LYS CA C 59.528 0.300 1 1051 97 97 LYS CB C 32.291 0.300 1 1052 97 97 LYS CG C 25.105 0.300 1 1053 97 97 LYS CD C 29.298 0.300 1 1054 97 97 LYS CE C 42.249 0.300 1 1055 97 97 LYS N N 117.446 0.300 1 1056 98 98 THR H H 8.748 0.030 1 1057 98 98 THR HA H 4.006 0.030 1 1058 98 98 THR HB H 4.425 0.030 1 1059 98 98 THR HG2 H 1.398 0.030 1 1060 98 98 THR C C 176.516 0.300 1 1061 98 98 THR CA C 66.516 0.300 1 1062 98 98 THR CB C 69.100 0.300 1 1063 98 98 THR CG2 C 21.639 0.300 1 1064 98 98 THR N N 117.849 0.300 1 1065 99 99 CYS H H 8.021 0.030 1 1066 99 99 CYS HA H 4.196 0.030 1 1067 99 99 CYS HB2 H 2.820 0.030 2 1068 99 99 CYS HB3 H 2.471 0.030 2 1069 99 99 CYS C C 173.380 0.300 1 1070 99 99 CYS CA C 60.451 0.300 1 1071 99 99 CYS CB C 28.147 0.300 1 1072 99 99 CYS N N 116.178 0.300 1 1073 100 100 LYS H H 7.843 0.030 1 1074 100 100 LYS HA H 3.935 0.030 1 1075 100 100 LYS HB2 H 1.695 0.030 2 1076 100 100 LYS HB3 H 1.812 0.030 2 1077 100 100 LYS HG2 H 1.414 0.030 2 1078 100 100 LYS HG3 H 1.454 0.030 2 1079 100 100 LYS HD2 H 2.040 0.030 2 1080 100 100 LYS HD3 H 1.896 0.030 2 1081 100 100 LYS HE2 H 3.060 0.030 1 1082 100 100 LYS HE3 H 3.060 0.030 1 1083 100 100 LYS C C 175.106 0.300 1 1084 100 100 LYS CA C 57.187 0.300 1 1085 100 100 LYS CB C 33.130 0.300 1 1086 100 100 LYS CG C 25.036 0.300 1 1087 100 100 LYS CD C 29.278 0.300 1 1088 100 100 LYS CE C 42.322 0.300 1 1089 100 100 LYS N N 119.497 0.300 1 1090 101 101 ALA H H 8.093 0.030 1 1091 101 101 ALA HA H 4.924 0.030 1 1092 101 101 ALA HB H 1.357 0.030 1 1093 101 101 ALA C C 175.272 0.300 1 1094 101 101 ALA CA C 50.075 0.300 1 1095 101 101 ALA CB C 25.182 0.300 1 1096 101 101 ALA N N 119.603 0.300 1 1097 102 102 GLN H H 8.547 0.030 1 1098 102 102 GLN HA H 4.673 0.030 1 1099 102 102 GLN HB2 H 2.087 0.030 2 1100 102 102 GLN HB3 H 1.908 0.030 2 1101 102 102 GLN HG2 H 2.425 0.030 2 1102 102 102 GLN HG3 H 2.357 0.030 2 1103 102 102 GLN C C 175.690 0.300 1 1104 102 102 GLN CA C 53.676 0.300 1 1105 102 102 GLN CB C 31.627 0.300 1 1106 102 102 GLN CG C 33.870 0.300 1 1107 102 102 GLN N N 116.797 0.300 1 1108 103 103 ALA H H 8.851 0.030 1 1109 103 103 ALA HA H 4.370 0.030 1 1110 103 103 ALA HB H 1.308 0.030 1 1111 103 103 ALA C C 178.356 0.300 1 1112 103 103 ALA CA C 51.206 0.300 1 1113 103 103 ALA CB C 19.671 0.300 1 1114 103 103 ALA N N 125.028 0.300 1 1115 104 104 ALA H H 9.139 0.030 1 1116 104 104 ALA HA H 5.038 0.030 1 1117 104 104 ALA HB H 1.651 0.030 1 1118 104 104 ALA C C 176.010 0.300 1 1119 104 104 ALA CA C 50.637 0.300 1 1120 104 104 ALA CB C 19.052 0.300 1 1121 104 104 ALA N N 126.489 0.300 1 1122 105 105 PRO HA H 4.434 0.030 1 1123 105 105 PRO HB2 H 2.452 0.030 2 1124 105 105 PRO HB3 H 1.986 0.030 2 1125 105 105 PRO HG2 H 2.037 0.030 1 1126 105 105 PRO HG3 H 2.037 0.030 1 1127 105 105 PRO HD2 H 3.559 0.030 2 1128 105 105 PRO HD3 H 4.084 0.030 2 1129 105 105 PRO C C 176.559 0.300 1 1130 105 105 PRO CA C 63.013 0.300 1 1131 105 105 PRO CB C 32.673 0.300 1 1132 105 105 PRO CG C 27.282 0.300 1 1133 105 105 PRO CD C 51.770 0.300 1 1134 106 106 LYS H H 8.539 0.030 1 1135 106 106 LYS HA H 4.080 0.030 1 1136 106 106 LYS HB2 H 1.971 0.030 1 1137 106 106 LYS HB3 H 1.971 0.030 1 1138 106 106 LYS HG2 H 1.506 0.030 2 1139 106 106 LYS HG3 H 1.654 0.030 2 1140 106 106 LYS HD2 H 1.763 0.030 1 1141 106 106 LYS HD3 H 1.763 0.030 1 1142 106 106 LYS HE2 H 3.045 0.030 1 1143 106 106 LYS HE3 H 3.045 0.030 1 1144 106 106 LYS C C 178.556 0.300 1 1145 106 106 LYS CA C 60.387 0.300 1 1146 106 106 LYS CB C 32.369 0.300 1 1147 106 106 LYS CG C 25.318 0.300 1 1148 106 106 LYS CD C 29.471 0.300 1 1149 106 106 LYS CE C 42.138 0.300 1 1150 106 106 LYS N N 121.579 0.300 1 1151 107 107 SER H H 8.177 0.030 1 1152 107 107 SER HA H 4.224 0.030 1 1153 107 107 SER HB2 H 3.953 0.030 2 1154 107 107 SER HB3 H 3.907 0.030 2 1155 107 107 SER C C 176.008 0.300 1 1156 107 107 SER CA C 60.335 0.300 1 1157 107 107 SER CB C 62.253 0.300 1 1158 107 107 SER N N 112.574 0.300 1 1159 108 108 LEU H H 7.541 0.030 1 1160 108 108 LEU HA H 3.903 0.030 1 1161 108 108 LEU HB2 H 0.906 0.030 2 1162 108 108 LEU HB3 H 0.326 0.030 2 1163 108 108 LEU HG H 1.229 0.030 1 1164 108 108 LEU HD1 H -0.144 0.030 1 1165 108 108 LEU HD2 H 0.342 0.030 1 1166 108 108 LEU C C 176.573 0.300 1 1167 108 108 LEU CA C 55.844 0.300 1 1168 108 108 LEU CB C 40.257 0.300 1 1169 108 108 LEU CG C 26.192 0.300 1 1170 108 108 LEU CD1 C 25.245 0.300 2 1171 108 108 LEU CD2 C 21.828 0.300 2 1172 108 108 LEU N N 120.052 0.300 1 1173 109 109 PHE H H 7.679 0.030 1 1174 109 109 PHE HA H 4.585 0.030 1 1175 109 109 PHE HB2 H 3.451 0.030 2 1176 109 109 PHE HB3 H 2.911 0.030 2 1177 109 109 PHE HD1 H 7.378 0.030 1 1178 109 109 PHE HD2 H 7.378 0.030 1 1179 109 109 PHE HE1 H 6.995 0.030 1 1180 109 109 PHE HE2 H 6.995 0.030 1 1181 109 109 PHE HZ H 7.158 0.030 1 1182 109 109 PHE C C 175.895 0.300 1 1183 109 109 PHE CA C 57.023 0.300 1 1184 109 109 PHE CB C 39.046 0.300 1 1185 109 109 PHE CD1 C 133.060 0.300 1 1186 109 109 PHE CD2 C 133.060 0.300 1 1187 109 109 PHE CE1 C 130.956 0.300 1 1188 109 109 PHE CE2 C 130.956 0.300 1 1189 109 109 PHE CZ C 128.403 0.300 1 1190 109 109 PHE N N 115.743 0.300 1 1191 110 110 GLU H H 7.888 0.030 1 1192 110 110 GLU HA H 4.397 0.030 1 1193 110 110 GLU HB2 H 2.112 0.030 2 1194 110 110 GLU HB3 H 1.987 0.030 2 1195 110 110 GLU HG2 H 2.295 0.030 2 1196 110 110 GLU HG3 H 1.949 0.030 2 1197 110 110 GLU C C 176.378 0.300 1 1198 110 110 GLU CA C 56.678 0.300 1 1199 110 110 GLU CB C 30.524 0.300 1 1200 110 110 GLU CG C 34.751 0.300 1 1201 110 110 GLU N N 120.736 0.300 1 1202 111 111 ASN H H 8.608 0.030 1 1203 111 111 ASN HA H 4.697 0.030 1 1204 111 111 ASN HB2 H 2.846 0.030 2 1205 111 111 ASN HB3 H 2.929 0.030 2 1206 111 111 ASN HD21 H 7.685 0.030 2 1207 111 111 ASN HD22 H 7.027 0.030 2 1208 111 111 ASN C C 175.519 0.300 1 1209 111 111 ASN CA C 53.617 0.300 1 1210 111 111 ASN CB C 38.821 0.300 1 1211 111 111 ASN N N 118.426 0.300 1 1212 111 111 ASN ND2 N 113.455 0.300 1 1213 112 112 GLN H H 8.377 0.030 1 1214 112 112 GLN HA H 4.361 0.030 1 1215 112 112 GLN HB2 H 2.072 0.030 2 1216 112 112 GLN HB3 H 2.187 0.030 2 1217 112 112 GLN HG2 H 2.495 0.030 2 1218 112 112 GLN HG3 H 2.404 0.030 2 1219 112 112 GLN HE21 H 7.096 0.030 2 1220 112 112 GLN HE22 H 7.731 0.030 2 1221 112 112 GLN C C 176.014 0.300 1 1222 112 112 GLN CA C 56.320 0.300 1 1223 112 112 GLN CB C 29.360 0.300 1 1224 112 112 GLN CG C 34.059 0.300 1 1225 112 112 GLN N N 119.752 0.300 1 1226 112 112 GLN NE2 N 113.628 0.300 1 1227 113 113 ASN H H 8.480 0.030 1 1228 113 113 ASN HA H 4.745 0.030 1 1229 113 113 ASN HB2 H 2.799 0.030 2 1230 113 113 ASN HB3 H 2.912 0.030 2 1231 113 113 ASN HD21 H 7.511 0.030 2 1232 113 113 ASN HD22 H 6.835 0.030 2 1233 113 113 ASN C C 174.945 0.300 1 1234 113 113 ASN CA C 53.511 0.300 1 1235 113 113 ASN CB C 39.068 0.300 1 1236 113 113 ASN N N 119.222 0.300 1 1237 113 113 ASN ND2 N 111.760 0.300 1 1238 114 114 ILE H H 8.066 0.030 1 1239 114 114 ILE HA H 4.288 0.030 1 1240 114 114 ILE HB H 1.939 0.030 1 1241 114 114 ILE HG12 H 1.485 0.030 2 1242 114 114 ILE HG13 H 1.222 0.030 2 1243 114 114 ILE HG2 H 0.928 0.030 1 1244 114 114 ILE HD1 H 0.904 0.030 1 1245 114 114 ILE C C 176.237 0.300 1 1246 114 114 ILE CA C 61.249 0.300 1 1247 114 114 ILE CB C 38.947 0.300 1 1248 114 114 ILE CG1 C 27.300 0.300 1 1249 114 114 ILE CG2 C 17.714 0.300 1 1250 114 114 ILE CD1 C 13.193 0.300 1 1251 114 114 ILE N N 120.575 0.300 1 1252 115 115 THR H H 8.292 0.030 1 1253 115 115 THR HA H 4.369 0.030 1 1254 115 115 THR HB H 4.157 0.030 1 1255 115 115 THR HG2 H 1.205 0.030 1 1256 115 115 THR C C 174.103 0.300 1 1257 115 115 THR CA C 62.164 0.300 1 1258 115 115 THR CB C 69.840 0.300 1 1259 115 115 THR CG2 C 21.720 0.300 1 1260 115 115 THR N N 119.379 0.300 1 1261 116 116 VAL H H 8.224 0.030 1 1262 116 116 VAL HA H 4.133 0.030 1 1263 116 116 VAL HB H 2.042 0.030 1 1264 116 116 VAL HG1 H 0.895 0.030 1 1265 116 116 VAL HG2 H 0.939 0.030 1 1266 116 116 VAL C C 175.675 0.300 1 1267 116 116 VAL CA C 62.151 0.300 1 1268 116 116 VAL CB C 32.845 0.300 1 1269 116 116 VAL CG1 C 21.123 0.300 2 1270 116 116 VAL CG2 C 20.759 0.300 2 1271 116 116 VAL N N 124.153 0.300 1 1272 117 117 ILE H H 8.335 0.030 1 1273 117 117 ILE HA H 4.470 0.030 1 1274 117 117 ILE HB H 1.868 0.030 1 1275 117 117 ILE HG12 H 1.509 0.030 2 1276 117 117 ILE HG13 H 1.182 0.030 2 1277 117 117 ILE HG2 H 0.944 0.030 1 1278 117 117 ILE HD1 H 0.846 0.030 1 1279 117 117 ILE C C 174.597 0.300 1 1280 117 117 ILE CA C 58.398 0.300 1 1281 117 117 ILE CB C 38.501 0.300 1 1282 117 117 ILE CG1 C 26.993 0.300 1 1283 117 117 ILE CG2 C 17.058 0.300 1 1284 117 117 ILE CD1 C 12.581 0.300 1 1285 117 117 ILE N N 127.371 0.300 1 1286 118 118 PRO HA H 4.448 0.030 1 1287 118 118 PRO HB2 H 2.309 0.030 2 1288 118 118 PRO HB3 H 1.940 0.030 2 1289 118 118 PRO HG2 H 1.977 0.030 1 1290 118 118 PRO HG3 H 1.977 0.030 1 1291 118 118 PRO HD2 H 3.668 0.030 2 1292 118 118 PRO HD3 H 3.929 0.030 2 1293 118 118 PRO C C 176.860 0.300 1 1294 118 118 PRO CA C 63.223 0.300 1 1295 118 118 PRO CB C 32.244 0.300 1 1296 118 118 PRO CG C 27.427 0.300 1 1297 118 118 PRO CD C 51.191 0.300 1 1298 119 119 SER H H 8.417 0.030 1 1299 119 119 SER HA H 4.413 0.030 1 1300 119 119 SER HB2 H 3.879 0.030 2 1301 119 119 SER C C 175.249 0.300 1 1302 119 119 SER CA C 58.704 0.300 1 1303 119 119 SER CB C 63.734 0.300 1 1304 119 119 SER N N 116.314 0.300 1 1305 120 120 GLY H H 8.421 0.030 1 1306 120 120 GLY HA2 H 3.936 0.030 1 1307 120 120 GLY HA3 H 3.936 0.030 1 1308 120 120 GLY C C 173.871 0.300 1 1309 120 120 GLY CA C 45.310 0.300 1 1310 120 120 GLY N N 110.840 0.300 1 1311 121 121 PHE H H 8.123 0.030 1 1312 121 121 PHE HA H 4.679 0.030 1 1313 121 121 PHE HB2 H 3.059 0.030 2 1314 121 121 PHE HB3 H 3.132 0.030 2 1315 121 121 PHE HD1 H 7.265 0.030 1 1316 121 121 PHE HD2 H 7.265 0.030 1 1317 121 121 PHE HE1 H 7.366 0.030 1 1318 121 121 PHE HE2 H 7.366 0.030 1 1319 121 121 PHE HZ H 7.315 0.030 1 1320 121 121 PHE C C 175.804 0.300 1 1321 121 121 PHE CA C 57.894 0.300 1 1322 121 121 PHE CB C 39.861 0.300 1 1323 121 121 PHE CD1 C 131.837 0.300 1 1324 121 121 PHE CD2 C 131.837 0.300 1 1325 121 121 PHE CE1 C 131.511 0.300 1 1326 121 121 PHE CE2 C 131.511 0.300 1 1327 121 121 PHE CZ C 129.843 0.300 1 1328 121 121 PHE N N 120.346 0.300 1 1329 122 122 SER H H 8.281 0.030 1 1330 122 122 SER HA H 4.490 0.030 1 1331 122 122 SER HB2 H 3.799 0.030 2 1332 122 122 SER C C 174.120 0.300 1 1333 122 122 SER CA C 57.995 0.300 1 1334 122 122 SER CB C 63.899 0.300 1 1335 122 122 SER N N 118.404 0.300 1 1336 123 123 GLY H H 7.764 0.030 1 1337 123 123 GLY HA2 H 4.074 0.030 2 1338 123 123 GLY C C 171.526 0.300 1 1339 123 123 GLY CA C 44.686 0.300 1 1340 123 123 GLY N N 110.425 0.300 1 1341 124 124 PRO HA H 4.493 0.030 1 1342 124 124 PRO HB2 H 2.274 0.030 2 1343 124 124 PRO HB3 H 1.937 0.030 2 1344 124 124 PRO HG2 H 1.970 0.030 2 1345 124 124 PRO HD2 H 3.642 0.030 1 1346 124 124 PRO HD3 H 3.642 0.030 1 1347 124 124 PRO C C 177.346 0.300 1 1348 124 124 PRO CA C 63.261 0.300 1 1349 124 124 PRO CB C 32.163 0.300 1 1350 124 124 PRO CG C 27.135 0.300 1 1351 124 124 PRO CD C 49.788 0.300 1 1352 125 125 SER H H 8.515 0.030 1 1353 125 125 SER HA H 4.489 0.030 1 1354 125 125 SER HB2 H 3.895 0.030 2 1355 125 125 SER C C 174.666 0.300 1 1356 125 125 SER CA C 58.460 0.300 1 1357 125 125 SER CB C 63.817 0.300 1 1358 125 125 SER N N 116.319 0.300 1 1359 126 126 SER H H 8.314 0.030 1 1360 126 126 SER HA H 4.473 0.030 1 1361 126 126 SER HB2 H 3.863 0.030 2 1362 126 126 SER C C 173.940 0.300 1 1363 126 126 SER CA C 58.437 0.300 1 1364 126 126 SER CB C 63.817 0.300 1 1365 126 126 SER N N 117.822 0.300 1 1366 127 127 GLY H H 8.046 0.030 1 1367 127 127 GLY HA2 H 4.043 0.030 2 1368 127 127 GLY C C 179.057 0.300 1 1369 127 127 GLY CA C 45.436 0.300 1 1370 127 127 GLY N N 116.865 0.300 1 stop_ save_