data_11190 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the third PDZ domain of human InaD-like protein ; _BMRB_accession_number 11190 _BMRB_flat_file_name bmr11190.str _Entry_type original _Submission_date 2010-07-21 _Accession_date 2010-07-23 _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 Inoue K. . . 2 Nagashima T. . . 3 Hayashi F. . . 4 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" 662 "13C chemical shifts" 509 "15N chemical shifts" 123 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-20 original author . stop_ _Original_release_date 2011-07-20 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the third PDZ domain of human InaD-like 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 Inoue K. . . 2 Nagashima T. . . 3 Hayashi F. . . 4 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 'InaD-like protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PDZ domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'PDZ domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 129 _Mol_residue_sequence ; GSSGSSGGSDSSLFETYNVE LVRKDGQSLGIRIVGYVGTS HTGEASGIYVKSVIPGSAAY HNGHIQVNDKIVAVDGVNIQ GFANHDVVEVLRNAGQVVHL TLVRRKTSSSTSPLEPPSDR GTVSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLY 9 SER 10 ASP 11 SER 12 SER 13 LEU 14 PHE 15 GLU 16 THR 17 TYR 18 ASN 19 VAL 20 GLU 21 LEU 22 VAL 23 ARG 24 LYS 25 ASP 26 GLY 27 GLN 28 SER 29 LEU 30 GLY 31 ILE 32 ARG 33 ILE 34 VAL 35 GLY 36 TYR 37 VAL 38 GLY 39 THR 40 SER 41 HIS 42 THR 43 GLY 44 GLU 45 ALA 46 SER 47 GLY 48 ILE 49 TYR 50 VAL 51 LYS 52 SER 53 VAL 54 ILE 55 PRO 56 GLY 57 SER 58 ALA 59 ALA 60 TYR 61 HIS 62 ASN 63 GLY 64 HIS 65 ILE 66 GLN 67 VAL 68 ASN 69 ASP 70 LYS 71 ILE 72 VAL 73 ALA 74 VAL 75 ASP 76 GLY 77 VAL 78 ASN 79 ILE 80 GLN 81 GLY 82 PHE 83 ALA 84 ASN 85 HIS 86 ASP 87 VAL 88 VAL 89 GLU 90 VAL 91 LEU 92 ARG 93 ASN 94 ALA 95 GLY 96 GLN 97 VAL 98 VAL 99 HIS 100 LEU 101 THR 102 LEU 103 VAL 104 ARG 105 ARG 106 LYS 107 THR 108 SER 109 SER 110 SER 111 THR 112 SER 113 PRO 114 LEU 115 GLU 116 PRO 117 PRO 118 SER 119 ASP 120 ARG 121 GLY 122 THR 123 VAL 124 SER 125 GLY 126 PRO 127 SER 128 SER 129 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 2DMZ "Solution Structure Of The Third Pdz Domain Of Human Inad- Like Protein" 100.00 129 100.00 100.00 7.30e-84 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' 'E. coli' Escherichia coli . plasmid P050627-17 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.26mM U-15N,13C-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.26 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _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_Kujira _Saveframe_category software _Name Kujira _Version 0.93191 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _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 Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 293 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_ _Software_label $VNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-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 'PDZ domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 6 6 SER H H 9.009 0.030 1 2 6 6 SER HA H 4.510 0.030 1 3 6 6 SER HB2 H 3.846 0.030 2 4 6 6 SER HB3 H 3.906 0.030 2 5 6 6 SER C C 175.067 0.300 1 6 6 6 SER CA C 58.354 0.300 1 7 6 6 SER CB C 63.844 0.300 1 8 7 7 GLY H H 8.471 0.030 1 9 7 7 GLY HA2 H 4.000 0.030 1 10 7 7 GLY HA3 H 4.000 0.030 1 11 7 7 GLY C C 174.699 0.300 1 12 7 7 GLY CA C 45.343 0.300 1 13 7 7 GLY N N 110.851 0.300 1 14 8 8 GLY H H 8.308 0.030 1 15 8 8 GLY HA2 H 4.023 0.030 1 16 8 8 GLY HA3 H 4.023 0.030 1 17 8 8 GLY C C 174.427 0.300 1 18 8 8 GLY CA C 45.228 0.300 1 19 8 8 GLY N N 108.802 0.300 1 20 9 9 SER H H 8.365 0.030 1 21 9 9 SER HA H 4.500 0.030 1 22 9 9 SER HB2 H 3.883 0.030 1 23 9 9 SER HB3 H 3.883 0.030 1 24 9 9 SER C C 174.488 0.300 1 25 9 9 SER CA C 58.359 0.300 1 26 9 9 SER CB C 63.953 0.300 1 27 10 10 ASP H H 8.480 0.030 1 28 10 10 ASP HA H 4.672 0.030 1 29 10 10 ASP HB2 H 2.731 0.030 2 30 10 10 ASP HB3 H 2.787 0.030 2 31 10 10 ASP C C 176.682 0.300 1 32 10 10 ASP CA C 54.522 0.300 1 33 10 10 ASP CB C 41.181 0.300 1 34 10 10 ASP N N 122.713 0.300 1 35 11 11 SER H H 8.382 0.030 1 36 11 11 SER HA H 4.471 0.030 1 37 11 11 SER HB2 H 3.915 0.030 2 38 11 11 SER HB3 H 3.991 0.030 2 39 11 11 SER C C 175.059 0.300 1 40 11 11 SER CA C 59.155 0.300 1 41 11 11 SER CB C 63.624 0.300 1 42 11 11 SER N N 117.087 0.300 1 43 12 12 SER H H 8.423 0.030 1 44 12 12 SER HA H 4.466 0.030 1 45 12 12 SER HB2 H 3.879 0.030 2 46 12 12 SER HB3 H 3.944 0.030 2 47 12 12 SER C C 174.541 0.300 1 48 12 12 SER CA C 59.230 0.300 1 49 12 12 SER CB C 63.624 0.300 1 50 12 12 SER N N 117.535 0.300 1 51 13 13 LEU H H 8.109 0.030 1 52 13 13 LEU HA H 4.308 0.030 1 53 13 13 LEU HB2 H 1.257 0.030 2 54 13 13 LEU HB3 H 1.507 0.030 2 55 13 13 LEU HD1 H 0.879 0.030 1 56 13 13 LEU HD2 H 0.774 0.030 1 57 13 13 LEU HG H 1.535 0.030 1 58 13 13 LEU C C 175.927 0.300 1 59 13 13 LEU CA C 55.214 0.300 1 60 13 13 LEU CB C 42.886 0.300 1 61 13 13 LEU CD1 C 25.126 0.300 2 62 13 13 LEU CD2 C 22.880 0.300 2 63 13 13 LEU CG C 26.839 0.300 1 64 13 13 LEU N N 122.086 0.300 1 65 14 14 PHE H H 8.000 0.030 1 66 14 14 PHE HA H 5.238 0.030 1 67 14 14 PHE HB2 H 2.777 0.030 2 68 14 14 PHE HB3 H 2.958 0.030 2 69 14 14 PHE HD1 H 7.126 0.030 1 70 14 14 PHE HD2 H 7.126 0.030 1 71 14 14 PHE HE1 H 7.365 0.030 1 72 14 14 PHE HE2 H 7.365 0.030 1 73 14 14 PHE HZ H 7.318 0.030 1 74 14 14 PHE C C 174.699 0.300 1 75 14 14 PHE CA C 56.807 0.300 1 76 14 14 PHE CB C 42.395 0.300 1 77 14 14 PHE CD1 C 132.037 0.300 1 78 14 14 PHE CD2 C 132.037 0.300 1 79 14 14 PHE CE1 C 131.364 0.300 1 80 14 14 PHE CE2 C 131.364 0.300 1 81 14 14 PHE CZ C 129.548 0.300 1 82 14 14 PHE N N 117.448 0.300 1 83 15 15 GLU H H 9.280 0.030 1 84 15 15 GLU HA H 4.741 0.030 1 85 15 15 GLU HB2 H 1.940 0.030 1 86 15 15 GLU HB3 H 1.940 0.030 1 87 15 15 GLU HG2 H 2.149 0.030 1 88 15 15 GLU HG3 H 2.149 0.030 1 89 15 15 GLU C C 174.558 0.300 1 90 15 15 GLU CA C 54.707 0.300 1 91 15 15 GLU CB C 33.603 0.300 1 92 15 15 GLU CG C 36.093 0.300 1 93 15 15 GLU N N 121.348 0.300 1 94 16 16 THR H H 8.528 0.030 1 95 16 16 THR HA H 5.294 0.030 1 96 16 16 THR HB H 3.856 0.030 1 97 16 16 THR HG2 H 1.026 0.030 1 98 16 16 THR C C 174.032 0.300 1 99 16 16 THR CA C 61.749 0.300 1 100 16 16 THR CB C 69.984 0.300 1 101 16 16 THR CG2 C 21.483 0.300 1 102 16 16 THR N N 120.089 0.300 1 103 17 17 TYR H H 9.586 0.030 1 104 17 17 TYR HA H 4.822 0.030 1 105 17 17 TYR HB2 H 2.752 0.030 2 106 17 17 TYR HB3 H 2.887 0.030 2 107 17 17 TYR HD1 H 6.866 0.030 1 108 17 17 TYR HD2 H 6.866 0.030 1 109 17 17 TYR HE1 H 6.529 0.030 1 110 17 17 TYR HE2 H 6.529 0.030 1 111 17 17 TYR C C 172.610 0.300 1 112 17 17 TYR CA C 56.850 0.300 1 113 17 17 TYR CB C 41.655 0.300 1 114 17 17 TYR CD1 C 132.752 0.300 1 115 17 17 TYR CD2 C 132.752 0.300 1 116 17 17 TYR CE1 C 118.435 0.300 1 117 17 17 TYR CE2 C 118.435 0.300 1 118 17 17 TYR N N 125.533 0.300 1 119 18 18 ASN H H 8.743 0.030 1 120 18 18 ASN HA H 5.650 0.030 1 121 18 18 ASN HB2 H 2.638 0.030 1 122 18 18 ASN HB3 H 2.638 0.030 1 123 18 18 ASN HD21 H 6.955 0.030 2 124 18 18 ASN HD22 H 7.586 0.030 2 125 18 18 ASN C C 174.769 0.300 1 126 18 18 ASN CA C 52.170 0.300 1 127 18 18 ASN CB C 41.419 0.300 1 128 18 18 ASN N N 120.145 0.300 1 129 18 18 ASN ND2 N 114.603 0.300 1 130 19 19 VAL H H 9.006 0.030 1 131 19 19 VAL HA H 4.434 0.030 1 132 19 19 VAL HB H 1.876 0.030 1 133 19 19 VAL HG1 H 0.921 0.030 1 134 19 19 VAL HG2 H 0.868 0.030 1 135 19 19 VAL C C 173.505 0.300 1 136 19 19 VAL CA C 60.485 0.300 1 137 19 19 VAL CB C 36.004 0.300 1 138 19 19 VAL CG1 C 21.669 0.300 2 139 19 19 VAL CG2 C 21.310 0.300 2 140 19 19 VAL N N 119.822 0.300 1 141 20 20 GLU H H 8.574 0.030 1 142 20 20 GLU HA H 4.660 0.030 1 143 20 20 GLU HB2 H 1.779 0.030 2 144 20 20 GLU HB3 H 1.903 0.030 2 145 20 20 GLU HG2 H 1.700 0.030 2 146 20 20 GLU HG3 H 1.630 0.030 2 147 20 20 GLU C C 174.242 0.300 1 148 20 20 GLU CA C 54.904 0.300 1 149 20 20 GLU CB C 31.490 0.300 1 150 20 20 GLU CG C 37.039 0.300 1 151 20 20 GLU N N 127.432 0.300 1 152 21 21 LEU H H 9.184 0.030 1 153 21 21 LEU HA H 4.723 0.030 1 154 21 21 LEU HB2 H 1.564 0.030 2 155 21 21 LEU HB3 H 1.300 0.030 2 156 21 21 LEU HD1 H 0.744 0.030 1 157 21 21 LEU HD2 H 0.766 0.030 1 158 21 21 LEU HG H 1.485 0.030 1 159 21 21 LEU C C 174.453 0.300 1 160 21 21 LEU CA C 53.249 0.300 1 161 21 21 LEU CB C 43.763 0.300 1 162 21 21 LEU CD1 C 26.161 0.300 2 163 21 21 LEU CD2 C 25.072 0.300 2 164 21 21 LEU CG C 26.972 0.300 1 165 21 21 LEU N N 127.262 0.300 1 166 22 22 VAL H H 8.572 0.030 1 167 22 22 VAL HA H 4.659 0.030 1 168 22 22 VAL HB H 1.976 0.030 1 169 22 22 VAL HG1 H 0.857 0.030 1 170 22 22 VAL HG2 H 0.921 0.030 1 171 22 22 VAL C C 175.664 0.300 1 172 22 22 VAL CA C 61.168 0.300 1 173 22 22 VAL CB C 33.135 0.300 1 174 22 22 VAL CG1 C 20.978 0.300 2 175 22 22 VAL CG2 C 21.060 0.300 2 176 22 22 VAL N N 124.085 0.300 1 177 23 23 ARG H H 9.101 0.030 1 178 23 23 ARG HA H 4.458 0.030 1 179 23 23 ARG HB2 H 1.750 0.030 2 180 23 23 ARG HB3 H 1.942 0.030 2 181 23 23 ARG HD2 H 3.159 0.030 2 182 23 23 ARG HD3 H 3.210 0.030 2 183 23 23 ARG HE H 6.942 0.030 1 184 23 23 ARG HG2 H 1.431 0.030 2 185 23 23 ARG HG3 H 1.576 0.030 2 186 23 23 ARG C C 176.243 0.300 1 187 23 23 ARG CA C 55.345 0.300 1 188 23 23 ARG CB C 32.033 0.300 1 189 23 23 ARG CD C 44.310 0.300 1 190 23 23 ARG CG C 27.120 0.300 1 191 23 23 ARG N N 126.372 0.300 1 192 23 23 ARG NE N 83.162 0.300 1 193 24 24 LYS H H 8.352 0.030 1 194 24 24 LYS HA H 4.391 0.030 1 195 24 24 LYS HB2 H 1.535 0.030 2 196 24 24 LYS HB3 H 1.832 0.030 2 197 24 24 LYS HD2 H 1.634 0.030 1 198 24 24 LYS HD3 H 1.634 0.030 1 199 24 24 LYS HE2 H 2.957 0.030 1 200 24 24 LYS HE3 H 2.957 0.030 1 201 24 24 LYS HG2 H 1.404 0.030 2 202 24 24 LYS HG3 H 1.471 0.030 2 203 24 24 LYS C C 176.524 0.300 1 204 24 24 LYS CA C 55.340 0.300 1 205 24 24 LYS CB C 33.454 0.300 1 206 24 24 LYS CD C 28.929 0.300 1 207 24 24 LYS CE C 42.236 0.300 1 208 24 24 LYS CG C 25.098 0.300 1 209 24 24 LYS N N 123.288 0.300 1 210 25 25 ASP H H 8.659 0.030 1 211 25 25 ASP HA H 4.335 0.030 1 212 25 25 ASP HB2 H 2.598 0.030 2 213 25 25 ASP HB3 H 2.669 0.030 2 214 25 25 ASP C C 177.384 0.300 1 215 25 25 ASP CA C 56.165 0.300 1 216 25 25 ASP CB C 40.360 0.300 1 217 25 25 ASP N N 121.714 0.300 1 218 26 26 GLY H H 8.772 0.030 1 219 26 26 GLY HA2 H 3.739 0.030 2 220 26 26 GLY HA3 H 4.097 0.030 2 221 26 26 GLY C C 173.997 0.300 1 222 26 26 GLY CA C 45.652 0.300 1 223 26 26 GLY N N 111.698 0.300 1 224 27 27 GLN H H 8.040 0.030 1 225 27 27 GLN HA H 4.494 0.030 1 226 27 27 GLN HB2 H 2.328 0.030 2 227 27 27 GLN HB3 H 1.941 0.030 2 228 27 27 GLN HE21 H 6.894 0.030 2 229 27 27 GLN HE22 H 7.481 0.030 2 230 27 27 GLN HG2 H 2.588 0.030 2 231 27 27 GLN HG3 H 2.669 0.030 2 232 27 27 GLN C C 175.962 0.300 1 233 27 27 GLN CA C 55.036 0.300 1 234 27 27 GLN CB C 31.077 0.300 1 235 27 27 GLN CG C 34.112 0.300 1 236 27 27 GLN N N 120.994 0.300 1 237 27 27 GLN NE2 N 111.589 0.300 1 238 28 28 SER H H 8.847 0.030 1 239 28 28 SER HA H 4.481 0.030 1 240 28 28 SER HB2 H 3.909 0.030 2 241 28 28 SER HB3 H 4.013 0.030 2 242 28 28 SER C C 174.962 0.300 1 243 28 28 SER CA C 58.046 0.300 1 244 28 28 SER CB C 64.147 0.300 1 245 28 28 SER N N 120.968 0.300 1 246 29 29 LEU H H 9.193 0.030 1 247 29 29 LEU HA H 4.059 0.030 1 248 29 29 LEU HB2 H 1.700 0.030 2 249 29 29 LEU HB3 H 1.878 0.030 2 250 29 29 LEU HD1 H 0.939 0.030 1 251 29 29 LEU HD2 H 0.946 0.030 1 252 29 29 LEU HG H 1.660 0.030 1 253 29 29 LEU C C 178.262 0.300 1 254 29 29 LEU CA C 58.987 0.300 1 255 29 29 LEU CB C 41.819 0.300 1 256 29 29 LEU CD1 C 25.472 0.300 2 257 29 29 LEU CD2 C 25.242 0.300 2 258 29 29 LEU CG C 27.615 0.300 1 259 29 29 LEU N N 125.557 0.300 1 260 30 30 GLY H H 8.316 0.030 1 261 30 30 GLY HA2 H 3.541 0.030 2 262 30 30 GLY HA3 H 4.841 0.030 2 263 30 30 GLY C C 173.470 0.300 1 264 30 30 GLY CA C 45.954 0.300 1 265 30 30 GLY N N 101.893 0.300 1 266 31 31 ILE H H 7.471 0.030 1 267 31 31 ILE HA H 4.555 0.030 1 268 31 31 ILE HB H 1.613 0.030 1 269 31 31 ILE HD1 H 0.676 0.030 1 270 31 31 ILE HG12 H 0.672 0.030 2 271 31 31 ILE HG13 H 1.480 0.030 2 272 31 31 ILE HG2 H 0.739 0.030 1 273 31 31 ILE C C 175.611 0.300 1 274 31 31 ILE CA C 60.240 0.300 1 275 31 31 ILE CB C 40.267 0.300 1 276 31 31 ILE CD1 C 13.863 0.300 1 277 31 31 ILE CG1 C 27.415 0.300 1 278 31 31 ILE CG2 C 18.680 0.300 1 279 31 31 ILE N N 115.934 0.300 1 280 32 32 ARG H H 8.411 0.030 1 281 32 32 ARG HA H 4.859 0.030 1 282 32 32 ARG HB2 H 1.825 0.030 1 283 32 32 ARG HB3 H 1.825 0.030 1 284 32 32 ARG HD2 H 3.121 0.030 2 285 32 32 ARG HD3 H 3.189 0.030 2 286 32 32 ARG HG2 H 1.456 0.030 2 287 32 32 ARG HG3 H 1.582 0.030 2 288 32 32 ARG C C 176.524 0.300 1 289 32 32 ARG CA C 54.265 0.300 1 290 32 32 ARG CB C 30.529 0.300 1 291 32 32 ARG CD C 42.848 0.300 1 292 32 32 ARG CG C 27.122 0.300 1 293 32 32 ARG N N 126.924 0.300 1 294 33 33 ILE H H 8.782 0.030 1 295 33 33 ILE HA H 5.416 0.030 1 296 33 33 ILE HB H 1.902 0.030 1 297 33 33 ILE HD1 H 0.742 0.030 1 298 33 33 ILE HG12 H 1.043 0.030 2 299 33 33 ILE HG13 H 1.404 0.030 2 300 33 33 ILE HG2 H 0.630 0.030 1 301 33 33 ILE C C 175.137 0.300 1 302 33 33 ILE CA C 59.506 0.300 1 303 33 33 ILE CB C 41.798 0.300 1 304 33 33 ILE CD1 C 14.479 0.300 1 305 33 33 ILE CG1 C 25.421 0.300 1 306 33 33 ILE CG2 C 19.249 0.300 1 307 33 33 ILE N N 118.450 0.300 1 308 34 34 VAL H H 8.951 0.030 1 309 34 34 VAL HA H 4.387 0.030 1 310 34 34 VAL HB H 1.992 0.030 1 311 34 34 VAL HG1 H 0.910 0.030 1 312 34 34 VAL HG2 H 0.872 0.030 1 313 34 34 VAL C C 173.207 0.300 1 314 34 34 VAL CA C 60.788 0.300 1 315 34 34 VAL CB C 35.230 0.300 1 316 34 34 VAL CG1 C 20.886 0.300 2 317 34 34 VAL CG2 C 20.068 0.300 2 318 34 34 VAL N N 119.974 0.300 1 319 35 35 GLY H H 8.426 0.030 1 320 35 35 GLY HA2 H 3.720 0.030 2 321 35 35 GLY HA3 H 5.043 0.030 2 322 35 35 GLY C C 173.136 0.300 1 323 35 35 GLY CA C 44.732 0.300 1 324 35 35 GLY N N 112.106 0.300 1 325 36 36 TYR H H 8.544 0.030 1 326 36 36 TYR HA H 4.864 0.030 1 327 36 36 TYR HB2 H 2.856 0.030 2 328 36 36 TYR HB3 H 3.032 0.030 2 329 36 36 TYR HD1 H 6.970 0.030 1 330 36 36 TYR HD2 H 6.970 0.030 1 331 36 36 TYR HE1 H 6.602 0.030 1 332 36 36 TYR HE2 H 6.602 0.030 1 333 36 36 TYR C C 175.366 0.300 1 334 36 36 TYR CA C 56.963 0.300 1 335 36 36 TYR CB C 40.330 0.300 1 336 36 36 TYR CD1 C 133.014 0.300 1 337 36 36 TYR CD2 C 133.014 0.300 1 338 36 36 TYR CE1 C 117.910 0.300 1 339 36 36 TYR CE2 C 117.910 0.300 1 340 36 36 TYR N N 121.317 0.300 1 341 37 37 VAL H H 8.378 0.030 1 342 37 37 VAL HA H 4.256 0.030 1 343 37 37 VAL HB H 1.979 0.030 1 344 37 37 VAL HG1 H 0.870 0.030 1 345 37 37 VAL HG2 H 0.861 0.030 1 346 37 37 VAL C C 175.892 0.300 1 347 37 37 VAL CA C 61.728 0.300 1 348 37 37 VAL CB C 33.179 0.300 1 349 37 37 VAL CG1 C 21.107 0.300 2 350 37 37 VAL CG2 C 20.326 0.300 2 351 37 37 VAL N N 122.811 0.300 1 352 38 38 GLY H H 8.251 0.030 1 353 38 38 GLY HA2 H 4.033 0.030 1 354 38 38 GLY HA3 H 4.033 0.030 1 355 38 38 GLY C C 173.944 0.300 1 356 38 38 GLY CA C 45.107 0.300 1 357 38 38 GLY N N 112.560 0.300 1 358 39 39 THR H H 8.221 0.030 1 359 39 39 THR HA H 4.444 0.030 1 360 39 39 THR HB H 4.278 0.030 1 361 39 39 THR HG2 H 1.198 0.030 1 362 39 39 THR C C 175.059 0.300 1 363 39 39 THR CA C 61.696 0.300 1 364 39 39 THR CB C 69.941 0.300 1 365 39 39 THR CG2 C 21.615 0.300 1 366 39 39 THR N N 112.629 0.300 1 367 40 40 SER H H 8.464 0.030 1 368 40 40 SER HA H 4.524 0.030 1 369 40 40 SER HB2 H 3.907 0.030 2 370 40 40 SER HB3 H 3.859 0.030 2 371 40 40 SER CA C 58.306 0.300 1 372 40 40 SER CB C 63.870 0.300 1 373 41 41 HIS HA H 4.600 0.030 1 374 41 41 HIS HB2 H 3.101 0.030 2 375 41 41 HIS HB3 H 3.128 0.030 2 376 41 41 HIS HD2 H 6.995 0.030 1 377 41 41 HIS HE1 H 7.802 0.030 1 378 41 41 HIS C C 175.839 0.300 1 379 41 41 HIS CA C 57.120 0.300 1 380 41 41 HIS CB C 30.427 0.300 1 381 41 41 HIS CD2 C 119.469 0.300 1 382 41 41 HIS CE1 C 138.333 0.300 1 383 42 42 THR H H 7.874 0.030 1 384 42 42 THR HA H 4.346 0.030 1 385 42 42 THR HB H 4.321 0.030 1 386 42 42 THR HG2 H 1.072 0.030 1 387 42 42 THR C C 175.295 0.300 1 388 42 42 THR CA C 61.659 0.300 1 389 42 42 THR CB C 69.502 0.300 1 390 42 42 THR CG2 C 21.493 0.300 1 391 42 42 THR N N 111.674 0.300 1 392 43 43 GLY H H 8.236 0.030 1 393 43 43 GLY HA2 H 3.836 0.030 2 394 43 43 GLY HA3 H 4.052 0.030 2 395 43 43 GLY C C 174.365 0.300 1 396 43 43 GLY CA C 45.445 0.300 1 397 43 43 GLY N N 110.732 0.300 1 398 44 44 GLU H H 8.149 0.030 1 399 44 44 GLU HA H 4.236 0.030 1 400 44 44 GLU HB2 H 1.809 0.030 2 401 44 44 GLU HB3 H 1.988 0.030 2 402 44 44 GLU HG2 H 2.186 0.030 1 403 44 44 GLU HG3 H 2.186 0.030 1 404 44 44 GLU C C 176.085 0.300 1 405 44 44 GLU CA C 56.634 0.300 1 406 44 44 GLU CB C 30.137 0.300 1 407 44 44 GLU CG C 36.207 0.300 1 408 44 44 GLU N N 120.863 0.300 1 409 45 45 ALA H H 8.341 0.030 1 410 45 45 ALA HA H 4.384 0.030 1 411 45 45 ALA HB H 1.350 0.030 1 412 45 45 ALA C C 177.718 0.300 1 413 45 45 ALA CA C 52.211 0.300 1 414 45 45 ALA CB C 19.504 0.300 1 415 45 45 ALA N N 124.394 0.300 1 416 46 46 SER H H 8.295 0.030 1 417 46 46 SER HA H 4.595 0.030 1 418 46 46 SER HB2 H 3.943 0.030 1 419 46 46 SER HB3 H 3.943 0.030 1 420 46 46 SER C C 174.154 0.300 1 421 46 46 SER CA C 58.463 0.300 1 422 46 46 SER CB C 64.198 0.300 1 423 46 46 SER N N 115.435 0.300 1 424 47 47 GLY H H 8.570 0.030 1 425 47 47 GLY HA2 H 3.993 0.030 2 426 47 47 GLY HA3 H 4.028 0.030 2 427 47 47 GLY C C 170.820 0.300 1 428 47 47 GLY CA C 44.781 0.300 1 429 47 47 GLY N N 110.487 0.300 1 430 48 48 ILE H H 8.385 0.030 1 431 48 48 ILE HA H 4.649 0.030 1 432 48 48 ILE HB H 1.979 0.030 1 433 48 48 ILE HD1 H 0.747 0.030 1 434 48 48 ILE HG12 H 1.331 0.030 2 435 48 48 ILE HG13 H 1.535 0.030 2 436 48 48 ILE HG2 H 0.773 0.030 1 437 48 48 ILE C C 173.961 0.300 1 438 48 48 ILE CA C 58.419 0.300 1 439 48 48 ILE CB C 37.017 0.300 1 440 48 48 ILE CD1 C 10.701 0.300 1 441 48 48 ILE CG1 C 26.564 0.300 1 442 48 48 ILE CG2 C 18.708 0.300 1 443 48 48 ILE N N 121.896 0.300 1 444 49 49 TYR H H 9.036 0.030 1 445 49 49 TYR HA H 5.379 0.030 1 446 49 49 TYR HB2 H 2.636 0.030 1 447 49 49 TYR HB3 H 2.636 0.030 1 448 49 49 TYR HD1 H 7.008 0.030 1 449 49 49 TYR HD2 H 7.008 0.030 1 450 49 49 TYR HE1 H 6.731 0.030 1 451 49 49 TYR HE2 H 6.731 0.030 1 452 49 49 TYR C C 176.085 0.300 1 453 49 49 TYR CA C 55.854 0.300 1 454 49 49 TYR CB C 42.286 0.300 1 455 49 49 TYR CD1 C 133.780 0.300 1 456 49 49 TYR CD2 C 133.780 0.300 1 457 49 49 TYR CE1 C 117.318 0.300 1 458 49 49 TYR CE2 C 117.318 0.300 1 459 49 49 TYR N N 123.711 0.300 1 460 50 50 VAL H H 9.002 0.030 1 461 50 50 VAL HA H 3.848 0.030 1 462 50 50 VAL HB H 2.334 0.030 1 463 50 50 VAL HG1 H 0.691 0.030 1 464 50 50 VAL HG2 H 0.851 0.030 1 465 50 50 VAL C C 175.980 0.300 1 466 50 50 VAL CA C 63.876 0.300 1 467 50 50 VAL CB C 31.857 0.300 1 468 50 50 VAL CG1 C 21.752 0.300 2 469 50 50 VAL CG2 C 21.130 0.300 2 470 50 50 VAL N N 119.535 0.300 1 471 51 51 LYS H H 9.700 0.030 1 472 51 51 LYS HA H 4.411 0.030 1 473 51 51 LYS HB2 H 1.564 0.030 2 474 51 51 LYS HB3 H 1.473 0.030 2 475 51 51 LYS HD2 H 1.547 0.030 2 476 51 51 LYS HD3 H 1.679 0.030 2 477 51 51 LYS HE2 H 2.957 0.030 1 478 51 51 LYS HE3 H 2.957 0.030 1 479 51 51 LYS HG2 H 1.388 0.030 1 480 51 51 LYS HG3 H 1.388 0.030 1 481 51 51 LYS C C 175.471 0.300 1 482 51 51 LYS CA C 56.691 0.300 1 483 51 51 LYS CB C 34.394 0.300 1 484 51 51 LYS CD C 28.987 0.300 1 485 51 51 LYS CE C 42.176 0.300 1 486 51 51 LYS CG C 24.626 0.300 1 487 51 51 LYS N N 133.186 0.300 1 488 52 52 SER H H 7.609 0.030 1 489 52 52 SER HA H 4.483 0.030 1 490 52 52 SER HB2 H 3.808 0.030 2 491 52 52 SER HB3 H 3.645 0.030 2 492 52 52 SER C C 171.311 0.300 1 493 52 52 SER CA C 57.516 0.300 1 494 52 52 SER CB C 64.878 0.300 1 495 52 52 SER N N 108.903 0.300 1 496 53 53 VAL H H 8.353 0.030 1 497 53 53 VAL HA H 4.822 0.030 1 498 53 53 VAL HB H 1.873 0.030 1 499 53 53 VAL HG1 H 0.751 0.030 1 500 53 53 VAL HG2 H 0.682 0.030 1 501 53 53 VAL C C 176.313 0.300 1 502 53 53 VAL CA C 60.443 0.300 1 503 53 53 VAL CB C 33.415 0.300 1 504 53 53 VAL CG1 C 21.567 0.300 2 505 53 53 VAL CG2 C 20.510 0.300 2 506 53 53 VAL N N 120.721 0.300 1 507 54 54 ILE H H 9.040 0.030 1 508 54 54 ILE HA H 4.169 0.030 1 509 54 54 ILE HB H 1.635 0.030 1 510 54 54 ILE HD1 H 0.746 0.030 1 511 54 54 ILE HG12 H 1.155 0.030 2 512 54 54 ILE HG13 H 1.436 0.030 2 513 54 54 ILE HG2 H 0.962 0.030 1 514 54 54 ILE C C 175.041 0.300 1 515 54 54 ILE CA C 59.081 0.300 1 516 54 54 ILE CB C 38.796 0.300 1 517 54 54 ILE CD1 C 11.637 0.300 1 518 54 54 ILE CG1 C 27.390 0.300 1 519 54 54 ILE CG2 C 15.858 0.300 1 520 54 54 ILE N N 128.694 0.300 1 521 55 55 PRO HA H 3.098 0.030 1 522 55 55 PRO HB2 H 1.609 0.030 2 523 55 55 PRO HB3 H 1.828 0.030 2 524 55 55 PRO HD2 H 3.573 0.030 2 525 55 55 PRO HD3 H 4.130 0.030 2 526 55 55 PRO HG2 H 2.038 0.030 2 527 55 55 PRO HG3 H 1.802 0.030 2 528 55 55 PRO C C 176.717 0.300 1 529 55 55 PRO CA C 63.953 0.300 1 530 55 55 PRO CB C 31.302 0.300 1 531 55 55 PRO CD C 51.560 0.300 1 532 55 55 PRO CG C 27.746 0.300 1 533 56 56 GLY H H 6.022 0.030 1 534 56 56 GLY HA2 H 3.670 0.030 2 535 56 56 GLY HA3 H 4.156 0.030 2 536 56 56 GLY C C 173.031 0.300 1 537 56 56 GLY CA C 45.349 0.300 1 538 56 56 GLY N N 109.675 0.300 1 539 57 57 SER H H 7.436 0.030 1 540 57 57 SER HA H 4.580 0.030 1 541 57 57 SER HB2 H 3.659 0.030 2 542 57 57 SER HB3 H 3.971 0.030 2 543 57 57 SER C C 174.541 0.300 1 544 57 57 SER CA C 57.886 0.300 1 545 57 57 SER CB C 66.441 0.300 1 546 57 57 SER N N 114.764 0.300 1 547 58 58 ALA H H 8.965 0.030 1 548 58 58 ALA HA H 4.308 0.030 1 549 58 58 ALA HB H 1.557 0.030 1 550 58 58 ALA C C 181.000 0.300 1 551 58 58 ALA CA C 55.540 0.300 1 552 58 58 ALA CB C 18.999 0.300 1 553 58 58 ALA N N 121.899 0.300 1 554 59 59 ALA H H 8.637 0.030 1 555 59 59 ALA HA H 3.985 0.030 1 556 59 59 ALA HB H 1.349 0.030 1 557 59 59 ALA C C 178.946 0.300 1 558 59 59 ALA CA C 55.069 0.300 1 559 59 59 ALA CB C 19.150 0.300 1 560 59 59 ALA N N 118.438 0.300 1 561 60 60 TYR H H 7.626 0.030 1 562 60 60 TYR HA H 3.862 0.030 1 563 60 60 TYR HB2 H 3.054 0.030 1 564 60 60 TYR HB3 H 3.054 0.030 1 565 60 60 TYR HD1 H 6.576 0.030 1 566 60 60 TYR HD2 H 6.576 0.030 1 567 60 60 TYR HE1 H 6.825 0.030 1 568 60 60 TYR HE2 H 6.825 0.030 1 569 60 60 TYR C C 177.209 0.300 1 570 60 60 TYR CA C 61.077 0.300 1 571 60 60 TYR CB C 38.570 0.300 1 572 60 60 TYR CD1 C 132.760 0.300 1 573 60 60 TYR CD2 C 132.760 0.300 1 574 60 60 TYR CE1 C 119.310 0.300 1 575 60 60 TYR CE2 C 119.310 0.300 1 576 60 60 TYR N N 120.957 0.300 1 577 61 61 HIS H H 8.113 0.030 1 578 61 61 HIS HA H 4.228 0.030 1 579 61 61 HIS HB2 H 3.091 0.030 2 580 61 61 HIS HB3 H 3.237 0.030 2 581 61 61 HIS HD2 H 6.916 0.030 1 582 61 61 HIS HE1 H 7.885 0.030 1 583 61 61 HIS C C 176.542 0.300 1 584 61 61 HIS CA C 58.754 0.300 1 585 61 61 HIS CB C 30.696 0.300 1 586 61 61 HIS CD2 C 120.912 0.300 1 587 61 61 HIS CE1 C 139.088 0.300 1 588 61 61 HIS N N 117.182 0.300 1 589 62 62 ASN H H 7.795 0.030 1 590 62 62 ASN HA H 4.390 0.030 1 591 62 62 ASN HB2 H 2.634 0.030 2 592 62 62 ASN HB3 H 2.961 0.030 2 593 62 62 ASN HD21 H 6.808 0.030 2 594 62 62 ASN HD22 H 8.056 0.030 2 595 62 62 ASN C C 176.752 0.300 1 596 62 62 ASN CA C 56.880 0.300 1 597 62 62 ASN CB C 40.970 0.300 1 598 62 62 ASN N N 117.975 0.300 1 599 62 62 ASN ND2 N 113.023 0.300 1 600 63 63 GLY H H 7.117 0.030 1 601 63 63 GLY HA2 H 3.703 0.030 2 602 63 63 GLY HA3 H 3.867 0.030 2 603 63 63 GLY C C 176.752 0.300 1 604 63 63 GLY CA C 46.209 0.300 1 605 63 63 GLY N N 103.310 0.300 1 606 64 64 HIS H H 8.382 0.030 1 607 64 64 HIS HA H 4.554 0.030 1 608 64 64 HIS HB2 H 3.257 0.030 2 609 64 64 HIS HB3 H 3.153 0.030 2 610 64 64 HIS HD2 H 7.015 0.030 1 611 64 64 HIS HE1 H 8.006 0.030 1 612 64 64 HIS C C 174.190 0.300 1 613 64 64 HIS CA C 57.048 0.300 1 614 64 64 HIS CB C 30.135 0.300 1 615 64 64 HIS CD2 C 120.281 0.300 1 616 64 64 HIS CE1 C 137.600 0.300 1 617 64 64 HIS N N 117.641 0.300 1 618 65 65 ILE H H 7.948 0.030 1 619 65 65 ILE HA H 4.260 0.030 1 620 65 65 ILE HB H 1.576 0.030 1 621 65 65 ILE HD1 H 0.823 0.030 1 622 65 65 ILE HG12 H 1.142 0.030 2 623 65 65 ILE HG13 H 1.667 0.030 2 624 65 65 ILE HG2 H 0.778 0.030 1 625 65 65 ILE C C 174.699 0.300 1 626 65 65 ILE CA C 61.046 0.300 1 627 65 65 ILE CB C 39.290 0.300 1 628 65 65 ILE CD1 C 14.953 0.300 1 629 65 65 ILE CG1 C 27.798 0.300 1 630 65 65 ILE CG2 C 18.004 0.300 1 631 65 65 ILE N N 118.936 0.300 1 632 66 66 GLN H H 8.620 0.030 1 633 66 66 GLN HA H 4.598 0.030 1 634 66 66 GLN HB2 H 1.918 0.030 2 635 66 66 GLN HB3 H 2.055 0.030 2 636 66 66 GLN HE21 H 6.791 0.030 2 637 66 66 GLN HE22 H 7.252 0.030 2 638 66 66 GLN HG2 H 2.256 0.030 1 639 66 66 GLN HG3 H 2.256 0.030 1 640 66 66 GLN C C 175.137 0.300 1 641 66 66 GLN CA C 53.306 0.300 1 642 66 66 GLN CB C 31.549 0.300 1 643 66 66 GLN CG C 33.481 0.300 1 644 66 66 GLN N N 126.376 0.300 1 645 66 66 GLN NE2 N 111.639 0.300 1 646 67 67 VAL H H 8.370 0.030 1 647 67 67 VAL HA H 3.306 0.030 1 648 67 67 VAL HB H 1.888 0.030 1 649 67 67 VAL HG1 H 1.001 0.030 1 650 67 67 VAL HG2 H 0.981 0.030 1 651 67 67 VAL C C 177.630 0.300 1 652 67 67 VAL CA C 65.093 0.300 1 653 67 67 VAL CB C 31.627 0.300 1 654 67 67 VAL CG1 C 22.732 0.300 2 655 67 67 VAL CG2 C 21.131 0.300 2 656 67 67 VAL N N 120.411 0.300 1 657 68 68 ASN H H 9.429 0.030 1 658 68 68 ASN HA H 4.382 0.030 1 659 68 68 ASN HB2 H 3.398 0.030 2 660 68 68 ASN HB3 H 3.178 0.030 2 661 68 68 ASN HD21 H 6.891 0.030 2 662 68 68 ASN HD22 H 7.692 0.030 2 663 68 68 ASN C C 174.892 0.300 1 664 68 68 ASN CA C 56.132 0.300 1 665 68 68 ASN CB C 37.414 0.300 1 666 68 68 ASN N N 119.863 0.300 1 667 68 68 ASN ND2 N 113.082 0.300 1 668 69 69 ASP H H 8.128 0.030 1 669 69 69 ASP HA H 4.818 0.030 1 670 69 69 ASP HB2 H 2.486 0.030 2 671 69 69 ASP HB3 H 2.809 0.030 2 672 69 69 ASP C C 174.857 0.300 1 673 69 69 ASP CA C 56.165 0.300 1 674 69 69 ASP CB C 41.451 0.300 1 675 69 69 ASP N N 122.040 0.300 1 676 70 70 LYS H H 8.841 0.030 1 677 70 70 LYS HA H 4.592 0.030 1 678 70 70 LYS HB2 H 1.479 0.030 2 679 70 70 LYS HB3 H 1.726 0.030 2 680 70 70 LYS HD2 H 1.307 0.030 2 681 70 70 LYS HD3 H 1.454 0.030 2 682 70 70 LYS HE2 H 2.679 0.030 1 683 70 70 LYS HE3 H 2.679 0.030 1 684 70 70 LYS HG2 H 0.532 0.030 2 685 70 70 LYS HG3 H 0.725 0.030 2 686 70 70 LYS C C 176.629 0.300 1 687 70 70 LYS CA C 54.636 0.300 1 688 70 70 LYS CB C 35.318 0.300 1 689 70 70 LYS CD C 29.581 0.300 1 690 70 70 LYS CE C 42.286 0.300 1 691 70 70 LYS CG C 24.953 0.300 1 692 70 70 LYS N N 123.591 0.300 1 693 71 71 ILE H H 8.716 0.030 1 694 71 71 ILE HA H 4.187 0.030 1 695 71 71 ILE HB H 1.478 0.030 1 696 71 71 ILE HD1 H 0.591 0.030 1 697 71 71 ILE HG12 H 1.519 0.030 2 698 71 71 ILE HG13 H 0.671 0.030 2 699 71 71 ILE HG2 H 0.646 0.030 1 700 71 71 ILE C C 175.015 0.300 1 701 71 71 ILE CA C 61.770 0.300 1 702 71 71 ILE CB C 38.306 0.300 1 703 71 71 ILE CD1 C 13.496 0.300 1 704 71 71 ILE CG1 C 27.391 0.300 1 705 71 71 ILE CG2 C 18.202 0.300 1 706 71 71 ILE N N 126.111 0.300 1 707 72 72 VAL H H 8.578 0.030 1 708 72 72 VAL HA H 4.393 0.030 1 709 72 72 VAL HB H 2.053 0.030 1 710 72 72 VAL HG1 H 0.730 0.030 1 711 72 72 VAL HG2 H 0.638 0.030 1 712 72 72 VAL C C 176.085 0.300 1 713 72 72 VAL CA C 61.471 0.300 1 714 72 72 VAL CB C 33.238 0.300 1 715 72 72 VAL CG1 C 21.790 0.300 2 716 72 72 VAL CG2 C 19.564 0.300 2 717 72 72 VAL N N 118.554 0.300 1 718 73 73 ALA H H 7.705 0.030 1 719 73 73 ALA HA H 5.145 0.030 1 720 73 73 ALA HB H 1.095 0.030 1 721 73 73 ALA C C 175.418 0.300 1 722 73 73 ALA CA C 52.349 0.300 1 723 73 73 ALA CB C 22.071 0.300 1 724 73 73 ALA N N 122.150 0.300 1 725 74 74 VAL H H 8.093 0.030 1 726 74 74 VAL HA H 4.576 0.030 1 727 74 74 VAL HB H 1.744 0.030 1 728 74 74 VAL HG1 H 0.739 0.030 1 729 74 74 VAL HG2 H 0.670 0.030 1 730 74 74 VAL C C 175.945 0.300 1 731 74 74 VAL CA C 60.928 0.300 1 732 74 74 VAL CB C 34.235 0.300 1 733 74 74 VAL CG1 C 20.559 0.300 2 734 74 74 VAL CG2 C 20.328 0.300 2 735 74 74 VAL N N 118.711 0.300 1 736 75 75 ASP H H 10.353 0.030 1 737 75 75 ASP HA H 4.498 0.030 1 738 75 75 ASP HB2 H 3.006 0.030 2 739 75 75 ASP HB3 H 2.669 0.030 2 740 75 75 ASP C C 175.787 0.300 1 741 75 75 ASP CA C 56.187 0.300 1 742 75 75 ASP CB C 39.588 0.300 1 743 75 75 ASP N N 129.702 0.300 1 744 76 76 GLY H H 8.582 0.030 1 745 76 76 GLY HA2 H 3.506 0.030 2 746 76 76 GLY HA3 H 4.060 0.030 2 747 76 76 GLY C C 173.979 0.300 1 748 76 76 GLY CA C 45.106 0.300 1 749 76 76 GLY N N 102.682 0.300 1 750 77 77 VAL H H 7.997 0.030 1 751 77 77 VAL HA H 3.971 0.030 1 752 77 77 VAL HB H 2.177 0.030 1 753 77 77 VAL HG1 H 0.859 0.030 1 754 77 77 VAL HG2 H 0.953 0.030 1 755 77 77 VAL C C 175.137 0.300 1 756 77 77 VAL CA C 61.864 0.300 1 757 77 77 VAL CB C 32.633 0.300 1 758 77 77 VAL CG1 C 20.720 0.300 2 759 77 77 VAL CG2 C 21.286 0.300 2 760 77 77 VAL N N 123.894 0.300 1 761 78 78 ASN H H 8.646 0.030 1 762 78 78 ASN HA H 4.655 0.030 1 763 78 78 ASN HB2 H 2.792 0.030 2 764 78 78 ASN HB3 H 2.869 0.030 2 765 78 78 ASN HD21 H 6.926 0.030 2 766 78 78 ASN HD22 H 7.615 0.030 2 767 78 78 ASN C C 176.691 0.300 1 768 78 78 ASN CA C 53.586 0.300 1 769 78 78 ASN CB C 38.447 0.300 1 770 78 78 ASN N N 125.982 0.300 1 771 78 78 ASN ND2 N 111.933 0.300 1 772 79 79 ILE H H 7.495 0.030 1 773 79 79 ILE HA H 3.490 0.030 1 774 79 79 ILE HB H 1.635 0.030 1 775 79 79 ILE HD1 H 0.593 0.030 1 776 79 79 ILE HG12 H 0.469 0.030 2 777 79 79 ILE HG13 H 0.871 0.030 2 778 79 79 ILE HG2 H 0.388 0.030 1 779 79 79 ILE C C 176.787 0.300 1 780 79 79 ILE CA C 60.106 0.300 1 781 79 79 ILE CB C 37.693 0.300 1 782 79 79 ILE CD1 C 15.229 0.300 1 783 79 79 ILE CG1 C 27.096 0.300 1 784 79 79 ILE CG2 C 17.449 0.300 1 785 79 79 ILE N N 118.820 0.300 1 786 80 80 GLN H H 8.294 0.030 1 787 80 80 GLN HA H 4.087 0.030 1 788 80 80 GLN HB2 H 2.205 0.030 2 789 80 80 GLN HB3 H 2.028 0.030 2 790 80 80 GLN HE21 H 6.904 0.030 2 791 80 80 GLN HE22 H 7.549 0.030 2 792 80 80 GLN HG2 H 2.283 0.030 2 793 80 80 GLN HG3 H 2.555 0.030 2 794 80 80 GLN C C 177.226 0.300 1 795 80 80 GLN CA C 58.668 0.300 1 796 80 80 GLN CB C 28.745 0.300 1 797 80 80 GLN CG C 34.738 0.300 1 798 80 80 GLN N N 123.317 0.300 1 799 80 80 GLN NE2 N 112.333 0.300 1 800 81 81 GLY H H 8.822 0.030 1 801 81 81 GLY HA2 H 4.049 0.030 2 802 81 81 GLY HA3 H 3.948 0.030 2 803 81 81 GLY C C 174.558 0.300 1 804 81 81 GLY CA C 45.107 0.300 1 805 81 81 GLY N N 111.483 0.300 1 806 82 82 PHE H H 8.055 0.030 1 807 82 82 PHE HA H 4.587 0.030 1 808 82 82 PHE HB2 H 3.335 0.030 2 809 82 82 PHE HB3 H 3.036 0.030 2 810 82 82 PHE HD1 H 6.945 0.030 1 811 82 82 PHE HD2 H 6.945 0.030 1 812 82 82 PHE HE1 H 7.295 0.030 1 813 82 82 PHE HE2 H 7.295 0.030 1 814 82 82 PHE HZ H 7.219 0.030 1 815 82 82 PHE C C 176.155 0.300 1 816 82 82 PHE CA C 56.487 0.300 1 817 82 82 PHE CB C 39.096 0.300 1 818 82 82 PHE CD1 C 129.340 0.300 1 819 82 82 PHE CD2 C 129.340 0.300 1 820 82 82 PHE CE1 C 131.679 0.300 1 821 82 82 PHE CE2 C 131.679 0.300 1 822 82 82 PHE CZ C 129.633 0.300 1 823 82 82 PHE N N 122.087 0.300 1 824 83 83 ALA H H 8.964 0.030 1 825 83 83 ALA HA H 4.419 0.030 1 826 83 83 ALA HB H 1.349 0.030 1 827 83 83 ALA C C 179.306 0.300 1 828 83 83 ALA CA C 51.270 0.300 1 829 83 83 ALA CB C 19.204 0.300 1 830 83 83 ALA N N 123.383 0.300 1 831 84 84 ASN H H 9.014 0.030 1 832 84 84 ASN HA H 4.105 0.030 1 833 84 84 ASN HB2 H 2.776 0.030 1 834 84 84 ASN HB3 H 2.776 0.030 1 835 84 84 ASN HD21 H 6.556 0.030 2 836 84 84 ASN HD22 H 7.498 0.030 2 837 84 84 ASN CA C 57.579 0.300 1 838 84 84 ASN CB C 38.192 0.300 1 839 84 84 ASN N N 121.673 0.300 1 840 84 84 ASN ND2 N 109.923 0.300 1 841 85 85 HIS H H 8.464 0.030 1 842 85 85 HIS HA H 4.296 0.030 1 843 85 85 HIS HB2 H 3.073 0.030 2 844 85 85 HIS HB3 H 3.228 0.030 2 845 85 85 HIS HD2 H 7.029 0.030 1 846 85 85 HIS HE1 H 7.822 0.030 1 847 85 85 HIS C C 177.296 0.300 1 848 85 85 HIS CA C 59.183 0.300 1 849 85 85 HIS CB C 29.653 0.300 1 850 85 85 HIS CD2 C 119.720 0.300 1 851 85 85 HIS CE1 C 138.471 0.300 1 852 86 86 ASP H H 6.873 0.030 1 853 86 86 ASP HA H 4.566 0.030 1 854 86 86 ASP HB2 H 2.544 0.030 2 855 86 86 ASP HB3 H 2.785 0.030 2 856 86 86 ASP C C 178.858 0.300 1 857 86 86 ASP CA C 56.828 0.300 1 858 86 86 ASP CB C 40.522 0.300 1 859 86 86 ASP N N 119.247 0.300 1 860 87 87 VAL H H 7.856 0.030 1 861 87 87 VAL HA H 3.608 0.030 1 862 87 87 VAL HB H 2.217 0.030 1 863 87 87 VAL HG1 H 0.824 0.030 1 864 87 87 VAL HG2 H 1.092 0.030 1 865 87 87 VAL C C 177.156 0.300 1 866 87 87 VAL CA C 66.778 0.300 1 867 87 87 VAL CB C 31.088 0.300 1 868 87 87 VAL CG1 C 21.659 0.300 2 869 87 87 VAL CG2 C 24.385 0.300 2 870 87 87 VAL N N 121.762 0.300 1 871 88 88 VAL H H 8.170 0.030 1 872 88 88 VAL HA H 3.478 0.030 1 873 88 88 VAL HB H 2.206 0.030 1 874 88 88 VAL HG1 H 0.976 0.030 1 875 88 88 VAL HG2 H 1.099 0.030 1 876 88 88 VAL C C 178.946 0.300 1 877 88 88 VAL CA C 67.342 0.300 1 878 88 88 VAL CB C 31.635 0.300 1 879 88 88 VAL CG1 C 21.191 0.300 2 880 88 88 VAL CG2 C 23.067 0.300 2 881 88 88 VAL N N 120.294 0.300 1 882 89 89 GLU H H 7.434 0.030 1 883 89 89 GLU HA H 4.154 0.030 1 884 89 89 GLU HB2 H 2.129 0.030 1 885 89 89 GLU HB3 H 2.129 0.030 1 886 89 89 GLU HG2 H 2.287 0.030 1 887 89 89 GLU HG3 H 2.287 0.030 1 888 89 89 GLU C C 178.192 0.300 1 889 89 89 GLU CA C 59.077 0.300 1 890 89 89 GLU CB C 29.429 0.300 1 891 89 89 GLU CG C 35.755 0.300 1 892 89 89 GLU N N 118.663 0.300 1 893 90 90 VAL H H 7.826 0.030 1 894 90 90 VAL HA H 3.796 0.030 1 895 90 90 VAL HB H 2.322 0.030 1 896 90 90 VAL HG1 H 0.962 0.030 1 897 90 90 VAL HG2 H 1.180 0.030 1 898 90 90 VAL C C 179.227 0.300 1 899 90 90 VAL CA C 66.358 0.300 1 900 90 90 VAL CB C 31.589 0.300 1 901 90 90 VAL CG1 C 21.400 0.300 2 902 90 90 VAL CG2 C 22.809 0.300 2 903 90 90 VAL N N 120.570 0.300 1 904 91 91 LEU H H 8.114 0.030 1 905 91 91 LEU HA H 3.984 0.030 1 906 91 91 LEU HB2 H 1.976 0.030 2 907 91 91 LEU HB3 H 1.510 0.030 2 908 91 91 LEU HD1 H 0.751 0.030 1 909 91 91 LEU HD2 H 0.700 0.030 1 910 91 91 LEU HG H 1.804 0.030 1 911 91 91 LEU C C 179.174 0.300 1 912 91 91 LEU CA C 57.761 0.300 1 913 91 91 LEU CB C 40.871 0.300 1 914 91 91 LEU CD1 C 25.670 0.300 2 915 91 91 LEU CD2 C 22.447 0.300 2 916 91 91 LEU CG C 26.841 0.300 1 917 91 91 LEU N N 118.098 0.300 1 918 92 92 ARG H H 8.280 0.030 1 919 92 92 ARG HA H 4.098 0.030 1 920 92 92 ARG HB2 H 1.942 0.030 1 921 92 92 ARG HB3 H 1.942 0.030 1 922 92 92 ARG HD2 H 3.165 0.030 2 923 92 92 ARG HD3 H 3.253 0.030 2 924 92 92 ARG HG2 H 1.677 0.030 2 925 92 92 ARG HG3 H 1.762 0.030 2 926 92 92 ARG C C 177.805 0.300 1 927 92 92 ARG CA C 59.093 0.300 1 928 92 92 ARG CB C 30.601 0.300 1 929 92 92 ARG CD C 43.548 0.300 1 930 92 92 ARG CG C 27.427 0.300 1 931 92 92 ARG N N 120.171 0.300 1 932 93 93 ASN H H 7.782 0.030 1 933 93 93 ASN HA H 4.760 0.030 1 934 93 93 ASN HB2 H 2.697 0.030 2 935 93 93 ASN HB3 H 2.992 0.030 2 936 93 93 ASN HD21 H 7.592 0.030 2 937 93 93 ASN HD22 H 6.894 0.030 2 938 93 93 ASN C C 174.470 0.300 1 939 93 93 ASN CA C 53.123 0.300 1 940 93 93 ASN CB C 39.250 0.300 1 941 93 93 ASN N N 115.111 0.300 1 942 93 93 ASN ND2 N 113.914 0.300 1 943 94 94 ALA H H 7.113 0.030 1 944 94 94 ALA HA H 4.270 0.030 1 945 94 94 ALA HB H 1.573 0.030 1 946 94 94 ALA C C 177.612 0.300 1 947 94 94 ALA CA C 53.003 0.300 1 948 94 94 ALA CB C 19.077 0.300 1 949 94 94 ALA N N 123.601 0.300 1 950 95 95 GLY H H 8.771 0.030 1 951 95 95 GLY HA2 H 4.311 0.030 2 952 95 95 GLY HA3 H 3.831 0.030 2 953 95 95 GLY C C 173.347 0.300 1 954 95 95 GLY CA C 44.279 0.300 1 955 95 95 GLY N N 108.689 0.300 1 956 96 96 GLN H H 8.406 0.030 1 957 96 96 GLN HA H 3.984 0.030 1 958 96 96 GLN HB2 H 2.245 0.030 2 959 96 96 GLN HB3 H 2.067 0.030 2 960 96 96 GLN HE21 H 7.452 0.030 2 961 96 96 GLN HE22 H 6.808 0.030 2 962 96 96 GLN HG2 H 2.392 0.030 2 963 96 96 GLN HG3 H 2.574 0.030 2 964 96 96 GLN C C 175.085 0.300 1 965 96 96 GLN CA C 58.582 0.300 1 966 96 96 GLN CB C 29.348 0.300 1 967 96 96 GLN CG C 34.677 0.300 1 968 96 96 GLN N N 118.902 0.300 1 969 96 96 GLN NE2 N 111.595 0.300 1 970 97 97 VAL H H 7.651 0.030 1 971 97 97 VAL HA H 4.822 0.030 1 972 97 97 VAL HB H 1.873 0.030 1 973 97 97 VAL HG1 H 0.670 0.030 1 974 97 97 VAL HG2 H 0.923 0.030 1 975 97 97 VAL C C 175.488 0.300 1 976 97 97 VAL CA C 61.101 0.300 1 977 97 97 VAL CB C 33.252 0.300 1 978 97 97 VAL CG1 C 21.130 0.300 2 979 97 97 VAL CG2 C 21.302 0.300 2 980 97 97 VAL N N 116.127 0.300 1 981 98 98 VAL H H 9.142 0.030 1 982 98 98 VAL HA H 4.669 0.030 1 983 98 98 VAL HB H 1.845 0.030 1 984 98 98 VAL HG1 H 0.857 0.030 1 985 98 98 VAL HG2 H 0.915 0.030 1 986 98 98 VAL C C 173.874 0.300 1 987 98 98 VAL CA C 60.398 0.300 1 988 98 98 VAL CB C 35.130 0.300 1 989 98 98 VAL CG1 C 20.899 0.300 2 990 98 98 VAL CG2 C 22.172 0.300 2 991 98 98 VAL N N 128.737 0.300 1 992 99 99 HIS H H 9.256 0.030 1 993 99 99 HIS HA H 5.343 0.030 1 994 99 99 HIS HB2 H 3.069 0.030 2 995 99 99 HIS HB3 H 3.235 0.030 2 996 99 99 HIS HD2 H 7.095 0.030 1 997 99 99 HIS HE1 H 7.979 0.030 1 998 99 99 HIS C C 175.085 0.300 1 999 99 99 HIS CA C 55.169 0.300 1 1000 99 99 HIS CB C 31.030 0.300 1 1001 99 99 HIS CD2 C 118.719 0.300 1 1002 99 99 HIS CE1 C 137.057 0.300 1 1003 99 99 HIS N N 127.221 0.300 1 1004 100 100 LEU H H 9.013 0.030 1 1005 100 100 LEU HA H 5.218 0.030 1 1006 100 100 LEU HB2 H 1.599 0.030 2 1007 100 100 LEU HB3 H 1.325 0.030 2 1008 100 100 LEU HD1 H 0.797 0.030 1 1009 100 100 LEU HD2 H 0.832 0.030 1 1010 100 100 LEU HG H 1.584 0.030 1 1011 100 100 LEU C C 175.524 0.300 1 1012 100 100 LEU CA C 53.837 0.300 1 1013 100 100 LEU CB C 46.068 0.300 1 1014 100 100 LEU CD1 C 26.742 0.300 2 1015 100 100 LEU CD2 C 25.831 0.300 2 1016 100 100 LEU CG C 27.228 0.300 1 1017 100 100 LEU N N 124.247 0.300 1 1018 101 101 THR H H 8.362 0.030 1 1019 101 101 THR HA H 5.083 0.030 1 1020 101 101 THR HB H 3.721 0.030 1 1021 101 101 THR HG2 H 1.046 0.030 1 1022 101 101 THR C C 173.452 0.300 1 1023 101 101 THR CA C 62.165 0.300 1 1024 101 101 THR CB C 69.625 0.300 1 1025 101 101 THR CG2 C 22.105 0.300 1 1026 101 101 THR N N 119.452 0.300 1 1027 102 102 LEU H H 9.207 0.030 1 1028 102 102 LEU HA H 5.624 0.030 1 1029 102 102 LEU HB2 H 1.303 0.030 2 1030 102 102 LEU HB3 H 1.363 0.030 2 1031 102 102 LEU HD1 H 0.798 0.030 1 1032 102 102 LEU HD2 H 0.711 0.030 1 1033 102 102 LEU HG H 1.538 0.030 1 1034 102 102 LEU C C 174.769 0.300 1 1035 102 102 LEU CA C 53.567 0.300 1 1036 102 102 LEU CB C 45.845 0.300 1 1037 102 102 LEU CD1 C 26.815 0.300 2 1038 102 102 LEU CD2 C 26.779 0.300 2 1039 102 102 LEU CG C 27.772 0.300 1 1040 102 102 LEU N N 128.085 0.300 1 1041 103 103 VAL H H 9.271 0.030 1 1042 103 103 VAL HA H 5.135 0.030 1 1043 103 103 VAL HB H 1.746 0.030 1 1044 103 103 VAL HG1 H 0.857 0.030 1 1045 103 103 VAL HG2 H 0.854 0.030 1 1046 103 103 VAL C C 175.506 0.300 1 1047 103 103 VAL CA C 61.046 0.300 1 1048 103 103 VAL CB C 35.133 0.300 1 1049 103 103 VAL CG1 C 21.813 0.300 2 1050 103 103 VAL CG2 C 22.008 0.300 2 1051 103 103 VAL N N 118.633 0.300 1 1052 104 104 ARG H H 9.446 0.030 1 1053 104 104 ARG HA H 5.057 0.030 1 1054 104 104 ARG HB2 H 1.911 0.030 2 1055 104 104 ARG HB3 H 1.962 0.030 2 1056 104 104 ARG HD2 H 3.052 0.030 2 1057 104 104 ARG HD3 H 3.147 0.030 2 1058 104 104 ARG HE H 8.793 0.030 1 1059 104 104 ARG HG2 H 1.661 0.030 2 1060 104 104 ARG HG3 H 1.750 0.030 2 1061 104 104 ARG C C 175.137 0.300 1 1062 104 104 ARG CA C 54.307 0.300 1 1063 104 104 ARG CB C 35.224 0.300 1 1064 104 104 ARG CD C 43.411 0.300 1 1065 104 104 ARG CG C 26.130 0.300 1 1066 104 104 ARG N N 129.086 0.300 1 1067 104 104 ARG NE N 84.244 0.300 1 1068 105 105 ARG H H 9.003 0.030 1 1069 105 105 ARG HA H 4.290 0.030 1 1070 105 105 ARG HB2 H 1.760 0.030 2 1071 105 105 ARG HB3 H 1.814 0.030 2 1072 105 105 ARG HD2 H 3.098 0.030 1 1073 105 105 ARG HD3 H 3.098 0.030 1 1074 105 105 ARG HG2 H 1.425 0.030 2 1075 105 105 ARG HG3 H 1.498 0.030 2 1076 105 105 ARG C C 176.454 0.300 1 1077 105 105 ARG CA C 56.415 0.300 1 1078 105 105 ARG CB C 30.838 0.300 1 1079 105 105 ARG CD C 43.181 0.300 1 1080 105 105 ARG CG C 27.678 0.300 1 1081 105 105 ARG N N 126.871 0.300 1 1082 106 106 LYS H H 8.515 0.030 1 1083 106 106 LYS HA H 4.282 0.030 1 1084 106 106 LYS HB2 H 1.514 0.030 2 1085 106 106 LYS HB3 H 1.795 0.030 2 1086 106 106 LYS HD2 H 1.623 0.030 1 1087 106 106 LYS HD3 H 1.623 0.030 1 1088 106 106 LYS HE2 H 2.912 0.030 1 1089 106 106 LYS HE3 H 2.912 0.030 1 1090 106 106 LYS HG2 H 1.293 0.030 2 1091 106 106 LYS HG3 H 1.377 0.030 2 1092 106 106 LYS C C 176.612 0.300 1 1093 106 106 LYS CA C 56.884 0.300 1 1094 106 106 LYS CB C 33.333 0.300 1 1095 106 106 LYS CD C 29.317 0.300 1 1096 106 106 LYS CE C 42.005 0.300 1 1097 106 106 LYS CG C 25.380 0.300 1 1098 106 106 LYS N N 126.344 0.300 1 1099 107 107 THR H H 8.334 0.030 1 1100 107 107 THR HA H 4.390 0.030 1 1101 107 107 THR HB H 4.228 0.030 1 1102 107 107 THR HG2 H 1.196 0.030 1 1103 107 107 THR C C 174.418 0.300 1 1104 107 107 THR CA C 61.594 0.300 1 1105 107 107 THR CB C 70.005 0.300 1 1106 107 107 THR CG2 C 21.507 0.300 1 1107 107 107 THR N N 115.793 0.300 1 1108 108 108 SER H H 8.339 0.030 1 1109 108 108 SER HA H 4.773 0.030 1 1110 108 108 SER HB2 H 3.825 0.030 2 1111 108 108 SER HB3 H 3.863 0.030 2 1112 108 108 SER C C 172.759 0.300 1 1113 108 108 SER CA C 56.422 0.300 1 1114 108 108 SER CB C 63.390 0.300 1 1115 108 108 SER N N 119.763 0.300 1 1116 110 110 SER HA H 4.535 0.030 1 1117 110 110 SER HB2 H 3.900 0.030 1 1118 110 110 SER HB3 H 3.900 0.030 1 1119 110 110 SER C C 174.734 0.300 1 1120 110 110 SER CA C 58.322 0.300 1 1121 110 110 SER CB C 63.953 0.300 1 1122 111 111 THR H H 8.202 0.030 1 1123 111 111 THR HA H 4.415 0.030 1 1124 111 111 THR HB H 4.236 0.030 1 1125 111 111 THR HG2 H 1.198 0.030 1 1126 111 111 THR C C 174.374 0.300 1 1127 111 111 THR CA C 61.702 0.300 1 1128 111 111 THR CB C 69.744 0.300 1 1129 111 111 THR CG2 C 21.614 0.300 1 1130 111 111 THR N N 115.542 0.300 1 1131 113 113 PRO HA H 4.441 0.030 1 1132 113 113 PRO HB2 H 1.914 0.030 2 1133 113 113 PRO HB3 H 2.278 0.030 2 1134 113 113 PRO HD2 H 3.713 0.030 2 1135 113 113 PRO HD3 H 3.811 0.030 2 1136 113 113 PRO HG2 H 2.032 0.030 1 1137 113 113 PRO HG3 H 2.032 0.030 1 1138 113 113 PRO C C 176.664 0.300 1 1139 113 113 PRO CA C 63.187 0.300 1 1140 113 113 PRO CB C 32.101 0.300 1 1141 113 113 PRO CD C 50.735 0.300 1 1142 113 113 PRO CG C 27.380 0.300 1 1143 114 114 LEU H H 8.262 0.030 1 1144 114 114 LEU HA H 4.288 0.030 1 1145 114 114 LEU HB2 H 1.574 0.030 1 1146 114 114 LEU HB3 H 1.574 0.030 1 1147 114 114 LEU HD1 H 0.845 0.030 1 1148 114 114 LEU HD2 H 0.897 0.030 1 1149 114 114 LEU HG H 1.599 0.030 1 1150 114 114 LEU C C 177.068 0.300 1 1151 114 114 LEU CA C 55.034 0.300 1 1152 114 114 LEU CB C 42.314 0.300 1 1153 114 114 LEU CD1 C 23.431 0.300 2 1154 114 114 LEU CD2 C 24.884 0.300 2 1155 114 114 LEU CG C 27.059 0.300 1 1156 114 114 LEU N N 121.881 0.300 1 1157 115 115 GLU H H 8.202 0.030 1 1158 115 115 GLU HA H 4.590 0.030 1 1159 115 115 GLU HB2 H 1.874 0.030 2 1160 115 115 GLU HB3 H 2.006 0.030 2 1161 115 115 GLU HG2 H 2.263 0.030 1 1162 115 115 GLU HG3 H 2.263 0.030 1 1163 115 115 GLU C C 173.865 0.300 1 1164 115 115 GLU CA C 53.994 0.300 1 1165 115 115 GLU CB C 29.890 0.300 1 1166 115 115 GLU CG C 35.829 0.300 1 1167 115 115 GLU N N 122.927 0.300 1 1168 116 116 PRO HA H 4.674 0.030 1 1169 116 116 PRO HB2 H 1.886 0.030 2 1170 116 116 PRO HB3 H 2.331 0.030 2 1171 116 116 PRO HD2 H 3.670 0.030 2 1172 116 116 PRO HD3 H 3.816 0.030 2 1173 116 116 PRO HG2 H 1.995 0.030 1 1174 116 116 PRO HG3 H 1.995 0.030 1 1175 116 116 PRO CA C 61.387 0.300 1 1176 116 116 PRO CB C 30.817 0.300 1 1177 116 116 PRO CD C 50.556 0.300 1 1178 116 116 PRO CG C 27.276 0.300 1 1179 117 117 PRO HA H 4.454 0.030 1 1180 117 117 PRO HB2 H 2.328 0.030 2 1181 117 117 PRO HB3 H 1.808 0.030 2 1182 117 117 PRO HD2 H 3.629 0.030 2 1183 117 117 PRO HD3 H 3.817 0.030 2 1184 117 117 PRO HG2 H 2.033 0.030 1 1185 117 117 PRO HG3 H 2.033 0.030 1 1186 117 117 PRO C C 177.182 0.300 1 1187 117 117 PRO CA C 62.948 0.300 1 1188 117 117 PRO CB C 32.023 0.300 1 1189 117 117 PRO CD C 50.419 0.300 1 1190 117 117 PRO CG C 27.358 0.300 1 1191 118 118 SER H H 8.460 0.030 1 1192 118 118 SER HA H 4.421 0.030 1 1193 118 118 SER HB2 H 3.740 0.030 2 1194 118 118 SER HB3 H 3.843 0.030 2 1195 118 118 SER C C 174.515 0.300 1 1196 118 118 SER CA C 58.427 0.300 1 1197 118 118 SER CB C 63.755 0.300 1 1198 118 118 SER N N 116.199 0.300 1 1199 119 119 ASP H H 8.420 0.030 1 1200 119 119 ASP HA H 4.633 0.030 1 1201 119 119 ASP HB2 H 2.693 0.030 1 1202 119 119 ASP HB3 H 2.693 0.030 1 1203 119 119 ASP C C 176.419 0.300 1 1204 119 119 ASP CA C 54.206 0.300 1 1205 119 119 ASP CB C 41.085 0.300 1 1206 119 119 ASP N N 122.393 0.300 1 1207 120 120 ARG H H 8.312 0.030 1 1208 120 120 ARG HA H 4.318 0.030 1 1209 120 120 ARG HB2 H 1.776 0.030 2 1210 120 120 ARG HB3 H 1.915 0.030 2 1211 120 120 ARG HD2 H 3.180 0.030 1 1212 120 120 ARG HD3 H 3.180 0.030 1 1213 120 120 ARG HG2 H 1.628 0.030 2 1214 120 120 ARG HG3 H 1.671 0.030 2 1215 120 120 ARG C C 176.945 0.300 1 1216 120 120 ARG CA C 56.341 0.300 1 1217 120 120 ARG CB C 30.501 0.300 1 1218 120 120 ARG CD C 43.290 0.300 1 1219 120 120 ARG CG C 26.970 0.300 1 1220 120 120 ARG N N 121.280 0.300 1 1221 121 121 GLY H H 8.471 0.030 1 1222 121 121 GLY HA2 H 3.990 0.030 1 1223 121 121 GLY HA3 H 3.990 0.030 1 1224 121 121 GLY C C 174.295 0.300 1 1225 121 121 GLY CA C 45.338 0.300 1 1226 121 121 GLY N N 109.446 0.300 1 1227 122 122 THR H H 8.087 0.030 1 1228 122 122 THR HA H 4.371 0.030 1 1229 122 122 THR HB H 4.193 0.030 1 1230 122 122 THR HG2 H 1.184 0.030 1 1231 122 122 THR C C 174.699 0.300 1 1232 122 122 THR CA C 61.864 0.300 1 1233 122 122 THR CB C 69.911 0.300 1 1234 122 122 THR CG2 C 21.607 0.300 1 1235 122 122 THR N N 114.237 0.300 1 1236 123 123 VAL H H 8.265 0.030 1 1237 123 123 VAL HA H 4.208 0.030 1 1238 123 123 VAL HB H 2.099 0.030 1 1239 123 123 VAL HG1 H 0.935 0.030 1 1240 123 123 VAL HG2 H 0.933 0.030 1 1241 123 123 VAL C C 176.120 0.300 1 1242 123 123 VAL CA C 62.220 0.300 1 1243 123 123 VAL CB C 32.818 0.300 1 1244 123 123 VAL CG1 C 21.345 0.300 2 1245 123 123 VAL CG2 C 20.383 0.300 2 1246 123 123 VAL N N 122.791 0.300 1 1247 124 124 SER H H 8.457 0.030 1 1248 124 124 SER HA H 4.522 0.030 1 1249 124 124 SER HB2 H 3.870 0.030 1 1250 124 124 SER HB3 H 3.870 0.030 1 1251 124 124 SER C C 174.470 0.300 1 1252 124 124 SER CA C 58.249 0.300 1 1253 124 124 SER CB C 63.953 0.300 1 1254 124 124 SER N N 119.952 0.300 1 1255 125 125 GLY H H 8.274 0.030 1 1256 125 125 GLY HA2 H 4.082 0.030 2 1257 125 125 GLY HA3 H 4.175 0.030 2 1258 125 125 GLY C C 171.724 0.300 1 1259 125 125 GLY CA C 44.641 0.300 1 1260 125 125 GLY N N 110.973 0.300 1 1261 126 126 PRO HA H 4.487 0.030 1 1262 126 126 PRO HB2 H 1.940 0.030 2 1263 126 126 PRO HB3 H 2.296 0.030 2 1264 126 126 PRO HD2 H 3.622 0.030 1 1265 126 126 PRO HD3 H 3.622 0.030 1 1266 126 126 PRO HG2 H 2.033 0.030 1 1267 126 126 PRO HG3 H 2.033 0.030 1 1268 126 126 PRO C C 177.384 0.300 1 1269 126 126 PRO CA C 63.268 0.300 1 1270 126 126 PRO CB C 32.101 0.300 1 1271 126 126 PRO CD C 49.756 0.300 1 1272 126 126 PRO CG C 27.172 0.300 1 1273 127 127 SER H H 8.561 0.030 1 1274 127 127 SER HA H 4.517 0.030 1 1275 127 127 SER HB2 H 3.916 0.030 1 1276 127 127 SER HB3 H 3.916 0.030 1 1277 127 127 SER C C 174.646 0.300 1 1278 127 127 SER CA C 58.359 0.300 1 1279 127 127 SER CB C 63.834 0.300 1 1280 127 127 SER N N 116.458 0.300 1 1281 128 128 SER H H 8.364 0.030 1 1282 128 128 SER HA H 4.511 0.030 1 1283 128 128 SER HB2 H 3.904 0.030 1 1284 128 128 SER HB3 H 3.904 0.030 1 1285 128 128 SER C C 173.926 0.300 1 1286 128 128 SER CA C 58.413 0.300 1 1287 128 128 SER CB C 64.131 0.300 1 1288 128 128 SER N N 117.899 0.300 1 1289 129 129 GLY H H 8.077 0.030 1 1290 129 129 GLY HA2 H 3.797 0.030 1 1291 129 129 GLY HA3 H 3.797 0.030 1 1292 129 129 GLY C C 178.973 0.300 1 1293 129 129 GLY CA C 46.300 0.300 1 1294 129 129 GLY N N 116.897 0.300 1 stop_ save_