data_11152 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the fibronectin type III domain of human Integrin beta-4 ; _BMRB_accession_number 11152 _BMRB_flat_file_name bmr11152.str _Entry_type original _Submission_date 2010-04-15 _Accession_date 2010-04-15 _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 Abe H. . . 2 Sasagawa A. . . 3 Tochio N. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Kigawa T. . . 7 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" 626 "13C chemical shifts" 471 "15N chemical shifts" 113 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-05 original author . stop_ _Original_release_date 2011-05-05 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the fibronectin type III domain of human Integrin beta-4' _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 Abe H. . . 2 Sasagawa A. . . 3 Tochio N. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Kigawa T. . . 7 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 'Integrin beta-4' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label fn3 $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 fn3 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 118 _Mol_residue_sequence ; GSSGSSGSHDSRLTAGVPDT PTRLVFSALGPTSLRVSWQE PRCERPLQGYSVEYQLLNGG ELHRLNIPNPAQTSVVVEDL LPNHSYVFRVRAQSQEGWGR EREGVITIESQVSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 HIS 10 ASP 11 SER 12 ARG 13 LEU 14 THR 15 ALA 16 GLY 17 VAL 18 PRO 19 ASP 20 THR 21 PRO 22 THR 23 ARG 24 LEU 25 VAL 26 PHE 27 SER 28 ALA 29 LEU 30 GLY 31 PRO 32 THR 33 SER 34 LEU 35 ARG 36 VAL 37 SER 38 TRP 39 GLN 40 GLU 41 PRO 42 ARG 43 CYS 44 GLU 45 ARG 46 PRO 47 LEU 48 GLN 49 GLY 50 TYR 51 SER 52 VAL 53 GLU 54 TYR 55 GLN 56 LEU 57 LEU 58 ASN 59 GLY 60 GLY 61 GLU 62 LEU 63 HIS 64 ARG 65 LEU 66 ASN 67 ILE 68 PRO 69 ASN 70 PRO 71 ALA 72 GLN 73 THR 74 SER 75 VAL 76 VAL 77 VAL 78 GLU 79 ASP 80 LEU 81 LEU 82 PRO 83 ASN 84 HIS 85 SER 86 TYR 87 VAL 88 PHE 89 ARG 90 VAL 91 ARG 92 ALA 93 GLN 94 SER 95 GLN 96 GLU 97 GLY 98 TRP 99 GLY 100 ARG 101 GLU 102 ARG 103 GLU 104 GLY 105 VAL 106 ILE 107 THR 108 ILE 109 GLU 110 SER 111 GLN 112 VAL 113 SER 114 GLY 115 PRO 116 SER 117 SER 118 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-27 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 2YRZ "Solution Structure Of The Fibronectin Type Iii Domain Of Human Integrin Beta-4" 100.00 118 100.00 100.00 1.43e-77 PDB 4WTW "Crystal Structure Of The Third Fniii Domain Of Integrin Beta4" 77.97 96 100.00 100.00 1.73e-59 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_name $entity_1 'cell free synthesis' . Escherichia coli . P050322-10 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.21mM sample {U-15N,13C;} 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 1.21 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_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 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 0.9820 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 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS 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 $XWINNMR $NMRPipe $NMRVIEW $Kujira $CYANA stop_ 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 fn3 _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 9 9 HIS HA H 4.599 0.030 1 2 9 9 HIS HB2 H 3.133 0.030 2 3 9 9 HIS HB3 H 3.055 0.030 2 4 9 9 HIS HD2 H 6.999 0.030 1 5 9 9 HIS HE1 H 7.841 0.030 1 6 9 9 HIS C C 175.204 0.300 1 7 9 9 HIS CA C 56.639 0.300 1 8 9 9 HIS CB C 30.786 0.300 1 9 9 9 HIS CD2 C 119.925 0.300 1 10 9 9 HIS CE1 C 138.334 0.300 1 11 10 10 ASP H H 8.249 0.030 1 12 10 10 ASP HA H 4.590 0.030 1 13 10 10 ASP HB2 H 2.700 0.030 2 14 10 10 ASP HB3 H 2.584 0.030 2 15 10 10 ASP C C 176.524 0.300 1 16 10 10 ASP CA C 54.280 0.300 1 17 10 10 ASP CB C 41.209 0.300 1 18 10 10 ASP N N 121.721 0.300 1 19 11 11 SER H H 8.362 0.030 1 20 11 11 SER HA H 4.372 0.030 1 21 11 11 SER HB2 H 3.931 0.030 2 22 11 11 SER HB3 H 3.874 0.030 2 23 11 11 SER C C 174.900 0.300 1 24 11 11 SER CA C 58.957 0.300 1 25 11 11 SER CB C 63.627 0.300 1 26 11 11 SER N N 117.672 0.300 1 27 12 12 ARG H H 8.323 0.030 1 28 12 12 ARG HA H 4.280 0.030 1 29 12 12 ARG HB2 H 1.854 0.030 2 30 12 12 ARG HB3 H 1.791 0.030 2 31 12 12 ARG HD2 H 3.188 0.030 1 32 12 12 ARG HD3 H 3.188 0.030 1 33 12 12 ARG HG2 H 1.623 0.030 1 34 12 12 ARG HG3 H 1.623 0.030 1 35 12 12 ARG C C 176.718 0.300 1 36 12 12 ARG CA C 56.645 0.300 1 37 12 12 ARG CB C 30.478 0.300 1 38 12 12 ARG CD C 43.399 0.300 1 39 12 12 ARG CG C 27.051 0.300 1 40 12 12 ARG N N 122.414 0.300 1 41 13 13 LEU H H 8.226 0.030 1 42 13 13 LEU HA H 4.371 0.030 1 43 13 13 LEU HB2 H 1.682 0.030 2 44 13 13 LEU HB3 H 1.603 0.030 2 45 13 13 LEU HD1 H 0.921 0.030 1 46 13 13 LEU HD2 H 0.854 0.030 1 47 13 13 LEU HG H 1.622 0.030 1 48 13 13 LEU C C 177.916 0.300 1 49 13 13 LEU CA C 55.591 0.300 1 50 13 13 LEU CB C 42.210 0.300 1 51 13 13 LEU CD1 C 25.017 0.300 2 52 13 13 LEU CD2 C 23.430 0.300 2 53 13 13 LEU CG C 27.039 0.300 1 54 13 13 LEU N N 122.508 0.300 1 55 14 14 THR H H 7.968 0.030 1 56 14 14 THR HA H 4.297 0.030 1 57 14 14 THR HB H 4.230 0.030 1 58 14 14 THR HG2 H 1.182 0.030 1 59 14 14 THR C C 174.478 0.300 1 60 14 14 THR CA C 61.850 0.300 1 61 14 14 THR CB C 69.711 0.300 1 62 14 14 THR CG2 C 21.698 0.300 1 63 14 14 THR N N 114.548 0.300 1 64 15 15 ALA H H 8.269 0.030 1 65 15 15 ALA HA H 4.268 0.030 1 66 15 15 ALA HB H 1.386 0.030 1 67 15 15 ALA C C 178.125 0.300 1 68 15 15 ALA CA C 53.214 0.300 1 69 15 15 ALA CB C 19.000 0.300 1 70 15 15 ALA N N 125.385 0.300 1 71 16 16 GLY H H 8.500 0.030 1 72 16 16 GLY HA2 H 3.821 0.030 2 73 16 16 GLY HA3 H 3.698 0.030 2 74 16 16 GLY C C 173.754 0.300 1 75 16 16 GLY CA C 45.976 0.300 1 76 16 16 GLY N N 107.031 0.300 1 77 17 17 VAL H H 7.433 0.030 1 78 17 17 VAL HA H 4.148 0.030 1 79 17 17 VAL HB H 1.918 0.030 1 80 17 17 VAL HG1 H 0.805 0.030 1 81 17 17 VAL C C 174.359 0.300 1 82 17 17 VAL CA C 59.709 0.300 1 83 17 17 VAL CB C 32.308 0.300 1 84 17 17 VAL CG1 C 20.750 0.300 1 85 17 17 VAL CG2 C 20.750 0.300 1 86 17 17 VAL N N 119.481 0.300 1 87 18 18 PRO HA H 4.435 0.030 1 88 18 18 PRO HB2 H 2.093 0.030 2 89 18 18 PRO HB3 H 2.029 0.030 2 90 18 18 PRO HD2 H 3.463 0.030 2 91 18 18 PRO HD3 H 3.918 0.030 2 92 18 18 PRO HG2 H 1.806 0.030 2 93 18 18 PRO HG3 H 1.655 0.030 2 94 18 18 PRO C C 175.449 0.300 1 95 18 18 PRO CA C 63.473 0.300 1 96 18 18 PRO CB C 33.612 0.300 1 97 18 18 PRO CD C 51.101 0.300 1 98 18 18 PRO CG C 28.639 0.300 1 99 19 19 ASP H H 8.132 0.030 1 100 19 19 ASP HA H 4.694 0.030 1 101 19 19 ASP HB2 H 2.978 0.030 2 102 19 19 ASP HB3 H 2.770 0.030 2 103 19 19 ASP C C 174.892 0.300 1 104 19 19 ASP CA C 53.072 0.300 1 105 19 19 ASP CB C 41.911 0.300 1 106 19 19 ASP N N 118.619 0.300 1 107 20 20 THR H H 8.778 0.030 1 108 20 20 THR HA H 4.507 0.030 1 109 20 20 THR HB H 3.989 0.030 1 110 20 20 THR HG2 H 1.235 0.030 1 111 20 20 THR C C 174.589 0.300 1 112 20 20 THR CA C 60.474 0.300 1 113 20 20 THR CB C 69.964 0.300 1 114 20 20 THR CG2 C 21.692 0.300 1 115 20 20 THR N N 115.208 0.300 1 116 21 21 PRO HA H 4.610 0.030 1 117 21 21 PRO HB2 H 2.492 0.030 2 118 21 21 PRO HB3 H 1.622 0.030 2 119 21 21 PRO HD2 H 4.520 0.030 2 120 21 21 PRO HD3 H 3.676 0.030 2 121 21 21 PRO HG2 H 1.802 0.030 2 122 21 21 PRO HG3 H 1.626 0.030 2 123 21 21 PRO C C 175.796 0.300 1 124 21 21 PRO CA C 63.305 0.300 1 125 21 21 PRO CB C 31.772 0.300 1 126 21 21 PRO CD C 50.879 0.300 1 127 21 21 PRO CG C 28.077 0.300 1 128 22 22 THR H H 8.081 0.030 1 129 22 22 THR HA H 4.257 0.030 1 130 22 22 THR HB H 4.351 0.030 1 131 22 22 THR HG2 H 1.277 0.030 1 132 22 22 THR C C 172.929 0.300 1 133 22 22 THR CA C 62.589 0.300 1 134 22 22 THR CB C 70.219 0.300 1 135 22 22 THR CG2 C 22.443 0.300 1 136 22 22 THR N N 113.636 0.300 1 137 23 23 ARG H H 8.023 0.030 1 138 23 23 ARG HA H 3.944 0.030 1 139 23 23 ARG HB2 H 1.818 0.030 2 140 23 23 ARG HB3 H 1.701 0.030 2 141 23 23 ARG HD2 H 3.161 0.030 1 142 23 23 ARG HD3 H 3.161 0.030 1 143 23 23 ARG HG2 H 1.560 0.030 1 144 23 23 ARG HG3 H 1.560 0.030 1 145 23 23 ARG C C 174.622 0.300 1 146 23 23 ARG CA C 56.552 0.300 1 147 23 23 ARG CB C 30.930 0.300 1 148 23 23 ARG CD C 43.477 0.300 1 149 23 23 ARG CG C 27.043 0.300 1 150 23 23 ARG N N 115.516 0.300 1 151 24 24 LEU H H 8.109 0.030 1 152 24 24 LEU HA H 4.668 0.030 1 153 24 24 LEU HB2 H 1.246 0.030 2 154 24 24 LEU HB3 H 0.874 0.030 2 155 24 24 LEU HD1 H 0.713 0.030 1 156 24 24 LEU HD2 H 0.666 0.030 1 157 24 24 LEU HG H 1.330 0.030 1 158 24 24 LEU C C 176.195 0.300 1 159 24 24 LEU CA C 54.452 0.300 1 160 24 24 LEU CB C 42.153 0.300 1 161 24 24 LEU CD1 C 25.590 0.300 2 162 24 24 LEU CD2 C 23.465 0.300 2 163 24 24 LEU CG C 27.212 0.300 1 164 24 24 LEU N N 121.254 0.300 1 165 25 25 VAL H H 8.780 0.030 1 166 25 25 VAL HA H 4.053 0.030 1 167 25 25 VAL HB H 1.744 0.030 1 168 25 25 VAL HG1 H 0.746 0.030 1 169 25 25 VAL C C 174.355 0.300 1 170 25 25 VAL CA C 61.282 0.300 1 171 25 25 VAL CB C 34.084 0.300 1 172 25 25 VAL CG1 C 21.065 0.300 1 173 25 25 VAL CG2 C 21.065 0.300 1 174 25 25 VAL N N 124.799 0.300 1 175 26 26 PHE H H 8.716 0.030 1 176 26 26 PHE HA H 5.268 0.030 1 177 26 26 PHE HB2 H 2.847 0.030 2 178 26 26 PHE HB3 H 2.723 0.030 2 179 26 26 PHE HD1 H 6.934 0.030 1 180 26 26 PHE HD2 H 6.934 0.030 1 181 26 26 PHE HE1 H 6.572 0.030 1 182 26 26 PHE HE2 H 6.572 0.030 1 183 26 26 PHE HZ H 6.808 0.030 1 184 26 26 PHE C C 176.094 0.300 1 185 26 26 PHE CA C 56.223 0.300 1 186 26 26 PHE CB C 42.325 0.300 1 187 26 26 PHE CD1 C 131.974 0.300 1 188 26 26 PHE CD2 C 131.974 0.300 1 189 26 26 PHE CE1 C 130.932 0.300 1 190 26 26 PHE CE2 C 130.932 0.300 1 191 26 26 PHE CZ C 128.080 0.300 1 192 26 26 PHE N N 124.616 0.300 1 193 27 27 SER H H 8.909 0.030 1 194 27 27 SER HA H 4.762 0.030 1 195 27 27 SER HB2 H 3.592 0.030 2 196 27 27 SER HB3 H 3.738 0.030 2 197 27 27 SER C C 173.084 0.300 1 198 27 27 SER CA C 56.823 0.300 1 199 27 27 SER CB C 64.713 0.300 1 200 27 27 SER N N 117.000 0.300 1 201 28 28 ALA H H 9.073 0.030 1 202 28 28 ALA HA H 4.462 0.030 1 203 28 28 ALA HB H 1.457 0.030 1 204 28 28 ALA C C 177.510 0.300 1 205 28 28 ALA CA C 53.433 0.300 1 206 28 28 ALA CB C 18.754 0.300 1 207 28 28 ALA N N 130.106 0.300 1 208 29 29 LEU H H 8.087 0.030 1 209 29 29 LEU HA H 4.493 0.030 1 210 29 29 LEU HB2 H 1.502 0.030 2 211 29 29 LEU HB3 H 1.383 0.030 2 212 29 29 LEU HD1 H 0.739 0.030 1 213 29 29 LEU HD2 H 0.776 0.030 1 214 29 29 LEU HG H 1.539 0.030 1 215 29 29 LEU C C 176.382 0.300 1 216 29 29 LEU CA C 54.470 0.300 1 217 29 29 LEU CB C 42.615 0.300 1 218 29 29 LEU CD1 C 22.757 0.300 2 219 29 29 LEU CD2 C 27.043 0.300 2 220 29 29 LEU CG C 27.015 0.300 1 221 29 29 LEU N N 124.411 0.300 1 222 30 30 GLY H H 7.935 0.030 1 223 30 30 GLY HA2 H 4.180 0.030 2 224 30 30 GLY HA3 H 4.040 0.030 2 225 30 30 GLY C C 171.179 0.300 1 226 30 30 GLY CA C 44.665 0.300 1 227 30 30 GLY N N 108.594 0.300 1 228 31 31 PRO HA H 4.358 0.030 1 229 31 31 PRO HB2 H 2.006 0.030 2 230 31 31 PRO HB3 H 2.408 0.030 2 231 31 31 PRO HD2 H 3.752 0.030 2 232 31 31 PRO HD3 H 3.569 0.030 2 233 31 31 PRO HG2 H 2.071 0.030 1 234 31 31 PRO HG3 H 2.071 0.030 1 235 31 31 PRO C C 176.400 0.300 1 236 31 31 PRO CA C 64.753 0.300 1 237 31 31 PRO CB C 32.630 0.300 1 238 31 31 PRO CD C 48.989 0.300 1 239 31 31 PRO CG C 27.346 0.300 1 240 32 32 THR H H 7.762 0.030 1 241 32 32 THR HA H 4.516 0.030 1 242 32 32 THR HB H 4.900 0.030 1 243 32 32 THR HG2 H 1.101 0.030 1 244 32 32 THR C C 173.195 0.300 1 245 32 32 THR CA C 59.466 0.300 1 246 32 32 THR CB C 70.767 0.300 1 247 32 32 THR CG2 C 21.386 0.300 1 248 32 32 THR N N 101.048 0.300 1 249 33 33 SER H H 6.991 0.030 1 250 33 33 SER HA H 5.459 0.030 1 251 33 33 SER HB2 H 3.645 0.030 2 252 33 33 SER HB3 H 3.533 0.030 2 253 33 33 SER C C 173.219 0.300 1 254 33 33 SER CA C 56.199 0.300 1 255 33 33 SER CB C 66.281 0.300 1 256 33 33 SER N N 112.242 0.300 1 257 34 34 LEU H H 8.741 0.030 1 258 34 34 LEU HA H 4.868 0.030 1 259 34 34 LEU HB2 H 1.109 0.030 2 260 34 34 LEU HB3 H 1.414 0.030 2 261 34 34 LEU HD1 H 0.455 0.030 1 262 34 34 LEU HD2 H 0.533 0.030 1 263 34 34 LEU HG H 1.269 0.030 1 264 34 34 LEU C C 173.879 0.300 1 265 34 34 LEU CA C 53.675 0.300 1 266 34 34 LEU CB C 48.248 0.300 1 267 34 34 LEU CD1 C 26.738 0.300 2 268 34 34 LEU CD2 C 25.115 0.300 2 269 34 34 LEU CG C 25.916 0.300 1 270 34 34 LEU N N 123.042 0.300 1 271 35 35 ARG H H 9.135 0.030 1 272 35 35 ARG HA H 5.084 0.030 1 273 35 35 ARG HB2 H 1.753 0.030 2 274 35 35 ARG HB3 H 1.558 0.030 2 275 35 35 ARG HD2 H 3.054 0.030 2 276 35 35 ARG HD3 H 2.917 0.030 2 277 35 35 ARG HG2 H 1.324 0.030 2 278 35 35 ARG HG3 H 1.213 0.030 2 279 35 35 ARG C C 174.896 0.300 1 280 35 35 ARG CA C 54.909 0.300 1 281 35 35 ARG CB C 32.328 0.300 1 282 35 35 ARG CD C 43.011 0.300 1 283 35 35 ARG CG C 27.937 0.300 1 284 35 35 ARG N N 123.223 0.300 1 285 36 36 VAL H H 8.938 0.030 1 286 36 36 VAL HA H 4.540 0.030 1 287 36 36 VAL HB H 1.795 0.030 1 288 36 36 VAL HG1 H 0.368 0.030 1 289 36 36 VAL HG2 H 0.703 0.030 1 290 36 36 VAL C C 174.085 0.300 1 291 36 36 VAL CA C 60.346 0.300 1 292 36 36 VAL CB C 33.513 0.300 1 293 36 36 VAL CG1 C 21.269 0.300 2 294 36 36 VAL CG2 C 20.718 0.300 2 295 36 36 VAL N N 130.031 0.300 1 296 37 37 SER H H 8.804 0.030 1 297 37 37 SER HA H 4.953 0.030 1 298 37 37 SER HB2 H 3.483 0.030 1 299 37 37 SER HB3 H 3.483 0.030 1 300 37 37 SER C C 171.838 0.300 1 301 37 37 SER CA C 57.041 0.300 1 302 37 37 SER CB C 66.084 0.300 1 303 37 37 SER N N 119.844 0.300 1 304 38 38 TRP H H 7.813 0.030 1 305 38 38 TRP HA H 4.982 0.030 1 306 38 38 TRP HB2 H 3.266 0.030 2 307 38 38 TRP HB3 H 2.918 0.030 2 308 38 38 TRP HD1 H 6.536 0.030 1 309 38 38 TRP HE1 H 6.081 0.030 1 310 38 38 TRP HE3 H 6.801 0.030 1 311 38 38 TRP HH2 H 6.466 0.030 1 312 38 38 TRP HZ2 H 6.637 0.030 1 313 38 38 TRP HZ3 H 6.560 0.030 1 314 38 38 TRP C C 173.491 0.300 1 315 38 38 TRP CA C 56.141 0.300 1 316 38 38 TRP CB C 30.247 0.300 1 317 38 38 TRP CD1 C 124.381 0.300 1 318 38 38 TRP CE3 C 120.263 0.300 1 319 38 38 TRP CH2 C 123.149 0.300 1 320 38 38 TRP CZ2 C 113.652 0.300 1 321 38 38 TRP CZ3 C 121.426 0.300 1 322 38 38 TRP N N 118.610 0.300 1 323 38 38 TRP NE1 N 123.557 0.300 1 324 39 39 GLN H H 8.084 0.030 1 325 39 39 GLN HA H 4.561 0.030 1 326 39 39 GLN HB2 H 2.051 0.030 2 327 39 39 GLN HB3 H 1.993 0.030 2 328 39 39 GLN HE21 H 7.543 0.030 2 329 39 39 GLN HE22 H 6.834 0.030 2 330 39 39 GLN HG2 H 2.332 0.030 2 331 39 39 GLN HG3 H 2.293 0.030 2 332 39 39 GLN C C 176.051 0.300 1 333 39 39 GLN CA C 53.993 0.300 1 334 39 39 GLN CB C 30.651 0.300 1 335 39 39 GLN CG C 34.203 0.300 1 336 39 39 GLN N N 116.533 0.300 1 337 39 39 GLN NE2 N 112.633 0.300 1 338 40 40 GLU H H 9.069 0.030 1 339 40 40 GLU HA H 4.622 0.030 1 340 40 40 GLU HB2 H 2.079 0.030 2 341 40 40 GLU HB3 H 1.994 0.030 2 342 40 40 GLU HG2 H 2.363 0.030 1 343 40 40 GLU HG3 H 2.363 0.030 1 344 40 40 GLU C C 174.902 0.300 1 345 40 40 GLU CA C 54.693 0.300 1 346 40 40 GLU CB C 30.305 0.300 1 347 40 40 GLU CG C 35.640 0.300 1 348 40 40 GLU N N 125.368 0.300 1 349 41 41 PRO HA H 4.722 0.030 1 350 41 41 PRO HB2 H 1.917 0.030 2 351 41 41 PRO HB3 H 1.840 0.030 2 352 41 41 PRO HD2 H 4.069 0.030 2 353 41 41 PRO HD3 H 4.213 0.030 2 354 41 41 PRO HG2 H 2.041 0.030 2 355 41 41 PRO HG3 H 1.948 0.030 2 356 41 41 PRO C C 175.641 0.300 1 357 41 41 PRO CA C 61.437 0.300 1 358 41 41 PRO CB C 33.455 0.300 1 359 41 41 PRO CD C 51.072 0.300 1 360 41 41 PRO CG C 27.467 0.300 1 361 42 42 ARG H H 8.350 0.030 1 362 42 42 ARG HA H 4.176 0.030 1 363 42 42 ARG HB2 H 1.805 0.030 1 364 42 42 ARG HB3 H 1.805 0.030 1 365 42 42 ARG HD2 H 3.244 0.030 2 366 42 42 ARG HD3 H 3.179 0.030 2 367 42 42 ARG HG2 H 1.728 0.030 2 368 42 42 ARG HG3 H 1.618 0.030 2 369 42 42 ARG C C 175.803 0.300 1 370 42 42 ARG CA C 56.685 0.300 1 371 42 42 ARG CB C 30.707 0.300 1 372 42 42 ARG CD C 43.263 0.300 1 373 42 42 ARG CG C 27.236 0.300 1 374 42 42 ARG N N 119.474 0.300 1 375 43 43 CYS H H 8.153 0.030 1 376 43 43 CYS HA H 4.290 0.030 1 377 43 43 CYS HB2 H 2.698 0.030 2 378 43 43 CYS HB3 H 2.900 0.030 2 379 43 43 CYS C C 173.257 0.300 1 380 43 43 CYS CA C 59.522 0.300 1 381 43 43 CYS CB C 29.571 0.300 1 382 43 43 CYS N N 120.843 0.300 1 383 44 44 GLU H H 8.825 0.030 1 384 44 44 GLU HA H 4.267 0.030 1 385 44 44 GLU HB2 H 1.779 0.030 2 386 44 44 GLU HB3 H 2.173 0.030 2 387 44 44 GLU HG2 H 2.320 0.030 2 388 44 44 GLU HG3 H 2.244 0.030 2 389 44 44 GLU C C 175.880 0.300 1 390 44 44 GLU CA C 57.972 0.300 1 391 44 44 GLU CB C 30.477 0.300 1 392 44 44 GLU CG C 36.874 0.300 1 393 44 44 GLU N N 126.700 0.300 1 394 45 45 ARG H H 8.050 0.030 1 395 45 45 ARG HA H 4.785 0.030 1 396 45 45 ARG HB2 H 1.700 0.030 2 397 45 45 ARG HB3 H 2.038 0.030 2 398 45 45 ARG HD2 H 3.292 0.030 2 399 45 45 ARG HD3 H 3.190 0.030 2 400 45 45 ARG HG2 H 1.699 0.030 2 401 45 45 ARG HG3 H 1.608 0.030 2 402 45 45 ARG C C 173.418 0.300 1 403 45 45 ARG CA C 52.437 0.300 1 404 45 45 ARG CB C 30.939 0.300 1 405 45 45 ARG CD C 42.682 0.300 1 406 45 45 ARG CG C 27.273 0.300 1 407 45 45 ARG N N 119.736 0.300 1 408 46 46 PRO HA H 4.264 0.030 1 409 46 46 PRO HB2 H 1.680 0.030 2 410 46 46 PRO HB3 H 2.319 0.030 2 411 46 46 PRO HD2 H 3.525 0.030 2 412 46 46 PRO HD3 H 3.786 0.030 2 413 46 46 PRO HG2 H 2.050 0.030 2 414 46 46 PRO HG3 H 1.947 0.030 2 415 46 46 PRO C C 177.129 0.300 1 416 46 46 PRO CA C 63.089 0.300 1 417 46 46 PRO CB C 32.189 0.300 1 418 46 46 PRO CD C 50.463 0.300 1 419 46 46 PRO CG C 27.927 0.300 1 420 47 47 LEU H H 8.585 0.030 1 421 47 47 LEU HA H 4.244 0.030 1 422 47 47 LEU HB2 H 1.775 0.030 2 423 47 47 LEU HB3 H 1.155 0.030 2 424 47 47 LEU HD1 H 1.041 0.030 1 425 47 47 LEU HD2 H 0.756 0.030 1 426 47 47 LEU HG H 1.850 0.030 1 427 47 47 LEU C C 177.580 0.300 1 428 47 47 LEU CA C 54.701 0.300 1 429 47 47 LEU CB C 43.060 0.300 1 430 47 47 LEU CD1 C 26.501 0.300 2 431 47 47 LEU CD2 C 23.823 0.300 2 432 47 47 LEU CG C 27.269 0.300 1 433 47 47 LEU N N 122.745 0.300 1 434 48 48 GLN H H 8.930 0.030 1 435 48 48 GLN HA H 4.374 0.030 1 436 48 48 GLN HB2 H 1.851 0.030 2 437 48 48 GLN HB3 H 1.183 0.030 2 438 48 48 GLN HE21 H 6.701 0.030 2 439 48 48 GLN HE22 H 6.886 0.030 2 440 48 48 GLN HG2 H 2.003 0.030 1 441 48 48 GLN HG3 H 2.003 0.030 1 442 48 48 GLN C C 174.928 0.300 1 443 48 48 GLN CA C 55.167 0.300 1 444 48 48 GLN CB C 30.567 0.300 1 445 48 48 GLN CG C 33.977 0.300 1 446 48 48 GLN N N 115.813 0.300 1 447 48 48 GLN NE2 N 109.898 0.300 1 448 49 49 GLY H H 6.779 0.030 1 449 49 49 GLY HA2 H 3.223 0.030 2 450 49 49 GLY HA3 H 4.628 0.030 2 451 49 49 GLY C C 170.743 0.300 1 452 49 49 GLY CA C 44.729 0.300 1 453 49 49 GLY N N 102.600 0.300 1 454 50 50 TYR H H 8.915 0.030 1 455 50 50 TYR HA H 5.910 0.030 1 456 50 50 TYR HB2 H 3.091 0.030 2 457 50 50 TYR HB3 H 2.721 0.030 2 458 50 50 TYR HD1 H 7.179 0.030 1 459 50 50 TYR HD2 H 7.179 0.030 1 460 50 50 TYR C C 175.301 0.300 1 461 50 50 TYR CA C 56.511 0.300 1 462 50 50 TYR CB C 44.007 0.300 1 463 50 50 TYR N N 113.458 0.300 1 464 51 51 SER H H 9.201 0.030 1 465 51 51 SER HA H 5.266 0.030 1 466 51 51 SER HB2 H 3.506 0.030 2 467 51 51 SER HB3 H 3.702 0.030 2 468 51 51 SER C C 172.890 0.300 1 469 51 51 SER CA C 57.191 0.300 1 470 51 51 SER CB C 65.688 0.300 1 471 51 51 SER N N 115.992 0.300 1 472 52 52 VAL H H 8.817 0.030 1 473 52 52 VAL HA H 4.873 0.030 1 474 52 52 VAL HB H 2.114 0.030 1 475 52 52 VAL HG1 H 1.037 0.030 1 476 52 52 VAL HG2 H 0.807 0.030 1 477 52 52 VAL C C 174.170 0.300 1 478 52 52 VAL CA C 60.762 0.300 1 479 52 52 VAL CB C 34.779 0.300 1 480 52 52 VAL CG1 C 20.760 0.300 2 481 52 52 VAL CG2 C 21.918 0.300 2 482 52 52 VAL N N 123.881 0.300 1 483 53 53 GLU H H 9.173 0.030 1 484 53 53 GLU HA H 5.705 0.030 1 485 53 53 GLU HB2 H 1.879 0.030 1 486 53 53 GLU HB3 H 1.879 0.030 1 487 53 53 GLU HG2 H 2.193 0.030 2 488 53 53 GLU HG3 H 2.056 0.030 2 489 53 53 GLU C C 175.162 0.300 1 490 53 53 GLU CA C 53.374 0.300 1 491 53 53 GLU CB C 33.871 0.300 1 492 53 53 GLU CG C 37.110 0.300 1 493 53 53 GLU N N 126.311 0.300 1 494 54 54 TYR H H 8.750 0.030 1 495 54 54 TYR HA H 5.674 0.030 1 496 54 54 TYR HB2 H 1.940 0.030 2 497 54 54 TYR HB3 H 1.608 0.030 2 498 54 54 TYR HD1 H 6.355 0.030 1 499 54 54 TYR HD2 H 6.355 0.030 1 500 54 54 TYR HE1 H 6.258 0.030 1 501 54 54 TYR HE2 H 6.258 0.030 1 502 54 54 TYR C C 173.697 0.300 1 503 54 54 TYR CA C 55.593 0.300 1 504 54 54 TYR CB C 40.021 0.300 1 505 54 54 TYR CD1 C 132.832 0.300 1 506 54 54 TYR CD2 C 132.832 0.300 1 507 54 54 TYR CE1 C 117.928 0.300 1 508 54 54 TYR CE2 C 117.928 0.300 1 509 54 54 TYR N N 117.162 0.300 1 510 55 55 GLN H H 8.337 0.030 1 511 55 55 GLN HA H 4.787 0.030 1 512 55 55 GLN HB2 H 2.040 0.030 2 513 55 55 GLN HB3 H 1.789 0.030 2 514 55 55 GLN HE21 H 6.908 0.030 2 515 55 55 GLN HE22 H 7.239 0.030 2 516 55 55 GLN HG2 H 2.233 0.030 2 517 55 55 GLN HG3 H 2.108 0.030 2 518 55 55 GLN C C 174.422 0.300 1 519 55 55 GLN CA C 54.006 0.300 1 520 55 55 GLN CB C 33.477 0.300 1 521 55 55 GLN CG C 32.921 0.300 1 522 55 55 GLN N N 115.347 0.300 1 523 55 55 GLN NE2 N 110.959 0.300 1 524 56 56 LEU H H 9.166 0.030 1 525 56 56 LEU HA H 3.993 0.030 1 526 56 56 LEU HB2 H 1.664 0.030 2 527 56 56 LEU HB3 H 1.396 0.030 2 528 56 56 LEU HD1 H 0.913 0.030 1 529 56 56 LEU HD2 H 0.390 0.030 1 530 56 56 LEU HG H 1.475 0.030 1 531 56 56 LEU C C 178.997 0.300 1 532 56 56 LEU CA C 55.744 0.300 1 533 56 56 LEU CB C 42.101 0.300 1 534 56 56 LEU CD1 C 25.943 0.300 2 535 56 56 LEU CD2 C 24.442 0.300 2 536 56 56 LEU CG C 27.500 0.300 1 537 56 56 LEU N N 125.755 0.300 1 538 57 57 LEU H H 8.380 0.030 1 539 57 57 LEU HA H 3.876 0.030 1 540 57 57 LEU HB2 H 1.138 0.030 2 541 57 57 LEU HB3 H 1.543 0.030 2 542 57 57 LEU HD1 H 0.828 0.030 1 543 57 57 LEU HD2 H 0.817 0.030 1 544 57 57 LEU HG H 1.449 0.030 1 545 57 57 LEU C C 177.840 0.300 1 546 57 57 LEU CA C 57.638 0.300 1 547 57 57 LEU CB C 42.409 0.300 1 548 57 57 LEU CD1 C 24.305 0.300 2 549 57 57 LEU CD2 C 24.988 0.300 2 550 57 57 LEU CG C 27.043 0.300 1 551 57 57 LEU N N 124.901 0.300 1 552 58 58 ASN H H 8.390 0.030 1 553 58 58 ASN HA H 4.604 0.030 1 554 58 58 ASN HB2 H 2.886 0.030 2 555 58 58 ASN HB3 H 2.782 0.030 2 556 58 58 ASN HD21 H 7.586 0.030 2 557 58 58 ASN HD22 H 6.857 0.030 2 558 58 58 ASN C C 174.998 0.300 1 559 58 58 ASN CA C 53.355 0.300 1 560 58 58 ASN CB C 37.873 0.300 1 561 58 58 ASN N N 113.196 0.300 1 562 58 58 ASN ND2 N 112.257 0.300 1 563 59 59 GLY H H 7.620 0.030 1 564 59 59 GLY HA2 H 4.310 0.030 2 565 59 59 GLY HA3 H 3.589 0.030 2 566 59 59 GLY C C 173.296 0.300 1 567 59 59 GLY CA C 44.732 0.300 1 568 59 59 GLY N N 108.112 0.300 1 569 60 60 GLY H H 8.035 0.030 1 570 60 60 GLY HA2 H 3.888 0.030 2 571 60 60 GLY HA3 H 4.258 0.030 2 572 60 60 GLY C C 173.199 0.300 1 573 60 60 GLY CA C 44.765 0.300 1 574 60 60 GLY N N 108.380 0.300 1 575 61 61 GLU H H 8.414 0.030 1 576 61 61 GLU HA H 3.947 0.030 1 577 61 61 GLU HB2 H 1.835 0.030 2 578 61 61 GLU HB3 H 1.755 0.030 2 579 61 61 GLU HG2 H 2.038 0.030 2 580 61 61 GLU HG3 H 1.832 0.030 2 581 61 61 GLU C C 175.335 0.300 1 582 61 61 GLU CA C 56.770 0.300 1 583 61 61 GLU CB C 30.182 0.300 1 584 61 61 GLU CG C 35.623 0.300 1 585 61 61 GLU N N 121.041 0.300 1 586 62 62 LEU H H 8.324 0.030 1 587 62 62 LEU HA H 4.298 0.030 1 588 62 62 LEU HB2 H 1.537 0.030 2 589 62 62 LEU HB3 H 1.264 0.030 2 590 62 62 LEU HD1 H 0.653 0.030 1 591 62 62 LEU HD2 H 0.653 0.030 1 592 62 62 LEU HG H 1.215 0.030 1 593 62 62 LEU C C 176.028 0.300 1 594 62 62 LEU CA C 54.654 0.300 1 595 62 62 LEU CB C 42.910 0.300 1 596 62 62 LEU CD1 C 23.963 0.300 2 597 62 62 LEU CD2 C 25.299 0.300 2 598 62 62 LEU CG C 27.163 0.300 1 599 62 62 LEU N N 125.078 0.300 1 600 63 63 HIS H H 8.581 0.030 1 601 63 63 HIS HA H 4.450 0.030 1 602 63 63 HIS HB2 H 2.334 0.030 2 603 63 63 HIS HB3 H 1.394 0.030 2 604 63 63 HIS HD2 H 6.773 0.030 1 605 63 63 HIS HE1 H 8.086 0.030 1 606 63 63 HIS C C 173.586 0.300 1 607 63 63 HIS CA C 54.743 0.300 1 608 63 63 HIS CB C 29.998 0.300 1 609 63 63 HIS CD2 C 121.749 0.300 1 610 63 63 HIS CE1 C 136.816 0.300 1 611 63 63 HIS N N 126.589 0.300 1 612 64 64 ARG H H 8.519 0.030 1 613 64 64 ARG HA H 5.194 0.030 1 614 64 64 ARG HB2 H 1.698 0.030 2 615 64 64 ARG HB3 H 1.551 0.030 2 616 64 64 ARG HD2 H 3.054 0.030 1 617 64 64 ARG HD3 H 3.054 0.030 1 618 64 64 ARG HG2 H 1.383 0.030 2 619 64 64 ARG HG3 H 1.330 0.030 2 620 64 64 ARG C C 174.945 0.300 1 621 64 64 ARG CA C 55.260 0.300 1 622 64 64 ARG CB C 33.360 0.300 1 623 64 64 ARG CD C 43.308 0.300 1 624 64 64 ARG CG C 28.159 0.300 1 625 64 64 ARG N N 121.120 0.300 1 626 65 65 LEU H H 9.592 0.030 1 627 65 65 LEU HA H 4.831 0.030 1 628 65 65 LEU HB2 H 1.664 0.030 2 629 65 65 LEU HB3 H 1.837 0.030 2 630 65 65 LEU HD1 H 1.072 0.030 1 631 65 65 LEU HD2 H 1.103 0.030 1 632 65 65 LEU HG H 1.775 0.030 1 633 65 65 LEU C C 175.191 0.300 1 634 65 65 LEU CA C 53.960 0.300 1 635 65 65 LEU CB C 44.620 0.300 1 636 65 65 LEU CD1 C 25.971 0.300 2 637 65 65 LEU CD2 C 24.251 0.300 2 638 65 65 LEU CG C 27.292 0.300 1 639 65 65 LEU N N 126.250 0.300 1 640 66 66 ASN H H 8.993 0.030 1 641 66 66 ASN HA H 5.202 0.030 1 642 66 66 ASN HB2 H 2.821 0.030 2 643 66 66 ASN HB3 H 2.759 0.030 2 644 66 66 ASN HD21 H 7.790 0.030 2 645 66 66 ASN HD22 H 7.063 0.030 2 646 66 66 ASN C C 174.344 0.300 1 647 66 66 ASN CA C 53.239 0.300 1 648 66 66 ASN CB C 40.836 0.300 1 649 66 66 ASN N N 122.200 0.300 1 650 66 66 ASN ND2 N 113.604 0.300 1 651 67 67 ILE H H 8.767 0.030 1 652 67 67 ILE HA H 4.833 0.030 1 653 67 67 ILE HB H 2.333 0.030 1 654 67 67 ILE HD1 H 1.026 0.030 1 655 67 67 ILE HG12 H 1.545 0.030 2 656 67 67 ILE HG13 H 1.367 0.030 2 657 67 67 ILE HG2 H 1.393 0.030 1 658 67 67 ILE C C 174.472 0.300 1 659 67 67 ILE CA C 57.843 0.300 1 660 67 67 ILE CB C 39.300 0.300 1 661 67 67 ILE CD1 C 13.923 0.300 1 662 67 67 ILE CG1 C 27.235 0.300 1 663 67 67 ILE CG2 C 18.581 0.300 1 664 67 67 ILE N N 124.990 0.300 1 665 68 68 PRO HA H 4.921 0.030 1 666 68 68 PRO HB2 H 2.356 0.030 2 667 68 68 PRO HB3 H 2.100 0.030 2 668 68 68 PRO HD2 H 3.673 0.030 2 669 68 68 PRO HD3 H 4.071 0.030 2 670 68 68 PRO HG2 H 1.964 0.030 2 671 68 68 PRO HG3 H 2.095 0.030 2 672 68 68 PRO C C 174.861 0.300 1 673 68 68 PRO CA C 63.641 0.300 1 674 68 68 PRO CB C 30.713 0.300 1 675 68 68 PRO CD C 50.871 0.300 1 676 68 68 PRO CG C 26.637 0.300 1 677 69 69 ASN H H 7.420 0.030 1 678 69 69 ASN HA H 5.188 0.030 1 679 69 69 ASN HB2 H 3.135 0.030 2 680 69 69 ASN HB3 H 2.898 0.030 2 681 69 69 ASN HD21 H 7.166 0.030 2 682 69 69 ASN HD22 H 7.860 0.030 2 683 69 69 ASN C C 174.574 0.300 1 684 69 69 ASN CA C 49.698 0.300 1 685 69 69 ASN CB C 40.226 0.300 1 686 69 69 ASN N N 116.901 0.300 1 687 69 69 ASN ND2 N 112.221 0.300 1 688 70 70 PRO HA H 4.189 0.030 1 689 70 70 PRO HB2 H 2.027 0.030 2 690 70 70 PRO HB3 H 1.675 0.030 2 691 70 70 PRO HD2 H 3.984 0.030 2 692 70 70 PRO HD3 H 3.697 0.030 2 693 70 70 PRO HG2 H 1.952 0.030 2 694 70 70 PRO HG3 H 1.802 0.030 2 695 70 70 PRO C C 176.139 0.300 1 696 70 70 PRO CA C 63.973 0.300 1 697 70 70 PRO CB C 32.601 0.300 1 698 70 70 PRO CD C 50.549 0.300 1 699 70 70 PRO CG C 26.801 0.300 1 700 71 71 ALA H H 7.950 0.030 1 701 71 71 ALA HA H 4.450 0.030 1 702 71 71 ALA HB H 1.411 0.030 1 703 71 71 ALA C C 177.366 0.300 1 704 71 71 ALA CA C 52.258 0.300 1 705 71 71 ALA CB C 18.997 0.300 1 706 71 71 ALA N N 120.104 0.300 1 707 72 72 GLN H H 7.837 0.030 1 708 72 72 GLN HA H 4.319 0.030 1 709 72 72 GLN HB2 H 2.427 0.030 2 710 72 72 GLN HB3 H 1.934 0.030 2 711 72 72 GLN HE21 H 7.257 0.030 2 712 72 72 GLN HE22 H 7.778 0.030 2 713 72 72 GLN HG2 H 2.531 0.030 2 714 72 72 GLN HG3 H 2.421 0.030 2 715 72 72 GLN C C 172.925 0.300 1 716 72 72 GLN CA C 55.431 0.300 1 717 72 72 GLN CB C 27.846 0.300 1 718 72 72 GLN CG C 33.823 0.300 1 719 72 72 GLN N N 122.917 0.300 1 720 72 72 GLN NE2 N 111.002 0.300 1 721 73 73 THR H H 7.340 0.030 1 722 73 73 THR HA H 3.384 0.030 1 723 73 73 THR HB H 3.734 0.030 1 724 73 73 THR HG2 H 0.805 0.030 1 725 73 73 THR C C 171.193 0.300 1 726 73 73 THR CA C 58.520 0.300 1 727 73 73 THR CB C 66.894 0.300 1 728 73 73 THR CG2 C 20.942 0.300 1 729 73 73 THR N N 112.338 0.300 1 730 74 74 SER H H 6.530 0.030 1 731 74 74 SER HA H 4.699 0.030 1 732 74 74 SER HB2 H 3.393 0.030 2 733 74 74 SER HB3 H 3.328 0.030 2 734 74 74 SER C C 173.378 0.300 1 735 74 74 SER CA C 56.535 0.300 1 736 74 74 SER CB C 66.031 0.300 1 737 74 74 SER N N 108.735 0.300 1 738 75 75 VAL H H 8.878 0.030 1 739 75 75 VAL HA H 4.540 0.030 1 740 75 75 VAL HB H 2.166 0.030 1 741 75 75 VAL HG1 H 1.025 0.030 1 742 75 75 VAL HG2 H 1.073 0.030 1 743 75 75 VAL C C 171.951 0.300 1 744 75 75 VAL CA C 60.395 0.300 1 745 75 75 VAL CB C 35.784 0.300 1 746 75 75 VAL CG1 C 20.658 0.300 2 747 75 75 VAL CG2 C 21.175 0.300 2 748 75 75 VAL N N 118.164 0.300 1 749 76 76 VAL H H 8.158 0.030 1 750 76 76 VAL HA H 4.668 0.030 1 751 76 76 VAL HB H 1.855 0.030 1 752 76 76 VAL HG1 H 0.696 0.030 1 753 76 76 VAL HG2 H 0.825 0.030 1 754 76 76 VAL C C 175.369 0.300 1 755 76 76 VAL CA C 62.013 0.300 1 756 76 76 VAL CB C 32.653 0.300 1 757 76 76 VAL CG1 C 21.002 0.300 2 758 76 76 VAL CG2 C 21.707 0.300 2 759 76 76 VAL N N 125.480 0.300 1 760 77 77 VAL H H 9.130 0.030 1 761 77 77 VAL HA H 4.193 0.030 1 762 77 77 VAL HB H 1.681 0.030 1 763 77 77 VAL HG1 H 0.588 0.030 1 764 77 77 VAL HG2 H 0.699 0.030 1 765 77 77 VAL C C 174.238 0.300 1 766 77 77 VAL CA C 61.439 0.300 1 767 77 77 VAL CB C 33.614 0.300 1 768 77 77 VAL CG1 C 21.929 0.300 2 769 77 77 VAL CG2 C 20.976 0.300 2 770 77 77 VAL N N 127.943 0.300 1 771 78 78 GLU H H 8.420 0.030 1 772 78 78 GLU HA H 4.809 0.030 1 773 78 78 GLU HB2 H 2.047 0.030 2 774 78 78 GLU HB3 H 1.741 0.030 2 775 78 78 GLU HG2 H 2.109 0.030 2 776 78 78 GLU HG3 H 1.984 0.030 2 777 78 78 GLU C C 174.669 0.300 1 778 78 78 GLU CA C 54.522 0.300 1 779 78 78 GLU CB C 33.038 0.300 1 780 78 78 GLU CG C 36.661 0.300 1 781 78 78 GLU N N 123.998 0.300 1 782 79 79 ASP H H 8.840 0.030 1 783 79 79 ASP HA H 4.217 0.030 1 784 79 79 ASP HB2 H 2.862 0.030 2 785 79 79 ASP HB3 H 2.704 0.030 2 786 79 79 ASP C C 175.495 0.300 1 787 79 79 ASP CA C 55.320 0.300 1 788 79 79 ASP CB C 39.111 0.300 1 789 79 79 ASP N N 114.849 0.300 1 790 80 80 LEU H H 8.348 0.030 1 791 80 80 LEU HA H 4.260 0.030 1 792 80 80 LEU HB2 H 1.060 0.030 2 793 80 80 LEU HB3 H 1.002 0.030 2 794 80 80 LEU HD1 H 0.237 0.030 1 795 80 80 LEU HD2 H -0.109 0.030 1 796 80 80 LEU HG H 1.089 0.030 1 797 80 80 LEU C C 176.905 0.300 1 798 80 80 LEU CA C 54.003 0.300 1 799 80 80 LEU CB C 42.024 0.300 1 800 80 80 LEU CD1 C 26.702 0.300 2 801 80 80 LEU CD2 C 20.829 0.300 2 802 80 80 LEU CG C 26.297 0.300 1 803 80 80 LEU N N 118.906 0.300 1 804 81 81 LEU H H 8.444 0.030 1 805 81 81 LEU HA H 4.662 0.030 1 806 81 81 LEU HB2 H 1.397 0.030 2 807 81 81 LEU HB3 H 0.832 0.030 2 808 81 81 LEU HD1 H 0.534 0.030 1 809 81 81 LEU HD2 H 0.713 0.030 1 810 81 81 LEU HG H 1.557 0.030 1 811 81 81 LEU C C 174.823 0.300 1 812 81 81 LEU CA C 51.986 0.300 1 813 81 81 LEU CB C 42.130 0.300 1 814 81 81 LEU CD1 C 24.988 0.300 2 815 81 81 LEU CD2 C 22.819 0.300 2 816 81 81 LEU CG C 26.348 0.300 1 817 81 81 LEU N N 121.288 0.300 1 818 82 82 PRO HA H 4.348 0.030 1 819 82 82 PRO HB2 H 2.421 0.030 2 820 82 82 PRO HB3 H 1.874 0.030 2 821 82 82 PRO HD2 H 3.677 0.030 2 822 82 82 PRO HD3 H 4.151 0.030 2 823 82 82 PRO HG2 H 2.072 0.030 2 824 82 82 PRO HG3 H 1.980 0.030 2 825 82 82 PRO C C 179.208 0.300 1 826 82 82 PRO CA C 63.140 0.300 1 827 82 82 PRO CB C 32.612 0.300 1 828 82 82 PRO CD C 50.888 0.300 1 829 82 82 PRO CG C 27.335 0.300 1 830 83 83 ASN H H 9.024 0.030 1 831 83 83 ASN HA H 4.376 0.030 1 832 83 83 ASN HB2 H 3.034 0.030 2 833 83 83 ASN HB3 H 2.971 0.030 2 834 83 83 ASN HD21 H 7.050 0.030 2 835 83 83 ASN HD22 H 7.623 0.030 2 836 83 83 ASN C C 173.876 0.300 1 837 83 83 ASN CA C 55.152 0.300 1 838 83 83 ASN CB C 37.633 0.300 1 839 83 83 ASN N N 117.990 0.300 1 840 83 83 ASN ND2 N 113.294 0.300 1 841 84 84 HIS H H 7.819 0.030 1 842 84 84 HIS HA H 4.768 0.030 1 843 84 84 HIS HB2 H 3.155 0.030 2 844 84 84 HIS HB3 H 2.783 0.030 2 845 84 84 HIS HD2 H 7.026 0.030 1 846 84 84 HIS HE1 H 7.923 0.030 1 847 84 84 HIS C C 174.131 0.300 1 848 84 84 HIS CA C 55.880 0.300 1 849 84 84 HIS CB C 31.955 0.300 1 850 84 84 HIS CD2 C 124.774 0.300 1 851 84 84 HIS CE1 C 138.240 0.300 1 852 84 84 HIS N N 116.509 0.300 1 853 85 85 SER H H 8.656 0.030 1 854 85 85 SER HA H 5.459 0.030 1 855 85 85 SER HB2 H 3.582 0.030 1 856 85 85 SER HB3 H 3.582 0.030 1 857 85 85 SER C C 173.276 0.300 1 858 85 85 SER CA C 57.869 0.300 1 859 85 85 SER CB C 64.487 0.300 1 860 85 85 SER N N 116.459 0.300 1 861 86 86 TYR H H 9.502 0.030 1 862 86 86 TYR HA H 4.986 0.030 1 863 86 86 TYR HB2 H 2.734 0.030 2 864 86 86 TYR HB3 H 2.636 0.030 2 865 86 86 TYR HD1 H 6.858 0.030 1 866 86 86 TYR HD2 H 6.858 0.030 1 867 86 86 TYR HE1 H 6.857 0.030 1 868 86 86 TYR HE2 H 6.857 0.030 1 869 86 86 TYR C C 174.136 0.300 1 870 86 86 TYR CA C 57.954 0.300 1 871 86 86 TYR CB C 44.390 0.300 1 872 86 86 TYR CD1 C 132.542 0.300 1 873 86 86 TYR CD2 C 132.542 0.300 1 874 86 86 TYR CE1 C 118.200 0.300 1 875 86 86 TYR CE2 C 118.200 0.300 1 876 86 86 TYR N N 124.268 0.300 1 877 87 87 VAL H H 9.016 0.030 1 878 87 87 VAL HA H 5.109 0.030 1 879 87 87 VAL HB H 1.942 0.030 1 880 87 87 VAL HG1 H 0.935 0.030 1 881 87 87 VAL HG2 H 0.953 0.030 1 882 87 87 VAL C C 173.637 0.300 1 883 87 87 VAL CA C 59.737 0.300 1 884 87 87 VAL CB C 34.379 0.300 1 885 87 87 VAL CG1 C 19.869 0.300 2 886 87 87 VAL CG2 C 22.105 0.300 2 887 87 87 VAL N N 118.747 0.300 1 888 88 88 PHE H H 9.319 0.030 1 889 88 88 PHE HA H 5.442 0.030 1 890 88 88 PHE HB2 H 3.175 0.030 2 891 88 88 PHE HB3 H 2.648 0.030 2 892 88 88 PHE HD1 H 6.973 0.030 1 893 88 88 PHE HD2 H 6.973 0.030 1 894 88 88 PHE HE1 H 6.526 0.030 1 895 88 88 PHE HE2 H 6.526 0.030 1 896 88 88 PHE HZ H 6.178 0.030 1 897 88 88 PHE C C 175.658 0.300 1 898 88 88 PHE CA C 56.254 0.300 1 899 88 88 PHE CB C 44.441 0.300 1 900 88 88 PHE CD1 C 131.260 0.300 1 901 88 88 PHE CD2 C 131.260 0.300 1 902 88 88 PHE CE1 C 131.200 0.300 1 903 88 88 PHE CE2 C 131.200 0.300 1 904 88 88 PHE CZ C 128.784 0.300 1 905 88 88 PHE N N 125.076 0.300 1 906 89 89 ARG H H 9.413 0.030 1 907 89 89 ARG HA H 5.484 0.030 1 908 89 89 ARG HB2 H 1.663 0.030 2 909 89 89 ARG HB3 H 1.413 0.030 2 910 89 89 ARG HD2 H 3.126 0.030 2 911 89 89 ARG HD3 H 3.126 0.030 2 912 89 89 ARG HE H 7.526 0.030 1 913 89 89 ARG HG2 H 1.480 0.030 1 914 89 89 ARG HG3 H 1.480 0.030 1 915 89 89 ARG C C 175.991 0.300 1 916 89 89 ARG CA C 54.613 0.300 1 917 89 89 ARG CB C 33.970 0.300 1 918 89 89 ARG CD C 43.208 0.300 1 919 89 89 ARG CG C 28.766 0.300 1 920 89 89 ARG N N 117.400 0.300 1 921 89 89 ARG NE N 85.343 0.300 1 922 90 90 VAL H H 8.853 0.030 1 923 90 90 VAL HA H 5.111 0.030 1 924 90 90 VAL HB H 1.325 0.030 1 925 90 90 VAL HG1 H -0.298 0.030 1 926 90 90 VAL HG2 H 0.421 0.030 1 927 90 90 VAL C C 174.162 0.300 1 928 90 90 VAL CA C 60.737 0.300 1 929 90 90 VAL CB C 34.818 0.300 1 930 90 90 VAL CG1 C 18.512 0.300 2 931 90 90 VAL CG2 C 21.570 0.300 2 932 90 90 VAL N N 124.539 0.300 1 933 91 91 ARG H H 8.430 0.030 1 934 91 91 ARG HA H 4.797 0.030 1 935 91 91 ARG HB2 H 1.796 0.030 1 936 91 91 ARG HB3 H 1.796 0.030 1 937 91 91 ARG HD2 H 2.974 0.030 2 938 91 91 ARG HD3 H 2.904 0.030 2 939 91 91 ARG HE H 6.746 0.030 1 940 91 91 ARG HG2 H 1.565 0.030 1 941 91 91 ARG HG3 H 1.565 0.030 1 942 91 91 ARG C C 173.973 0.300 1 943 91 91 ARG CA C 54.310 0.300 1 944 91 91 ARG CB C 35.559 0.300 1 945 91 91 ARG CD C 44.000 0.300 1 946 91 91 ARG CG C 26.522 0.300 1 947 91 91 ARG N N 123.001 0.300 1 948 91 91 ARG NE N 84.002 0.300 1 949 92 92 ALA H H 9.200 0.030 1 950 92 92 ALA HA H 5.447 0.030 1 951 92 92 ALA HB H 1.457 0.030 1 952 92 92 ALA C C 174.302 0.300 1 953 92 92 ALA CA C 50.250 0.300 1 954 92 92 ALA CB C 24.644 0.300 1 955 92 92 ALA N N 122.977 0.300 1 956 93 93 GLN H H 8.065 0.030 1 957 93 93 GLN HA H 4.411 0.030 1 958 93 93 GLN HB2 H 0.546 0.030 2 959 93 93 GLN HB3 H -0.350 0.030 2 960 93 93 GLN HE21 H 6.321 0.030 2 961 93 93 GLN HE22 H 6.538 0.030 2 962 93 93 GLN HG2 H 1.541 0.030 2 963 93 93 GLN HG3 H 0.556 0.030 2 964 93 93 GLN C C 175.199 0.300 1 965 93 93 GLN CA C 53.640 0.300 1 966 93 93 GLN CB C 29.982 0.300 1 967 93 93 GLN CG C 32.325 0.300 1 968 93 93 GLN N N 119.857 0.300 1 969 93 93 GLN NE2 N 109.593 0.300 1 970 94 94 SER H H 8.710 0.030 1 971 94 94 SER HA H 4.773 0.030 1 972 94 94 SER HB2 H 4.179 0.030 2 973 94 94 SER HB3 H 3.790 0.030 2 974 94 94 SER C C 174.616 0.300 1 975 94 94 SER CA C 56.080 0.300 1 976 94 94 SER CB C 68.258 0.300 1 977 94 94 SER N N 121.470 0.300 1 978 95 95 GLN H H 9.546 0.030 1 979 95 95 GLN HA H 3.934 0.030 1 980 95 95 GLN HB2 H 2.026 0.030 2 981 95 95 GLN HB3 H 1.924 0.030 2 982 95 95 GLN HE21 H 7.562 0.030 2 983 95 95 GLN HE22 H 6.842 0.030 2 984 95 95 GLN HG2 H 2.307 0.030 1 985 95 95 GLN HG3 H 2.307 0.030 1 986 95 95 GLN C C 176.392 0.300 1 987 95 95 GLN CA C 58.608 0.300 1 988 95 95 GLN CB C 28.792 0.300 1 989 95 95 GLN CG C 33.821 0.300 1 990 95 95 GLN N N 119.709 0.300 1 991 95 95 GLN NE2 N 112.230 0.300 1 992 96 96 GLU H H 7.763 0.030 1 993 96 96 GLU HA H 4.196 0.030 1 994 96 96 GLU HB2 H 1.353 0.030 2 995 96 96 GLU HB3 H 1.968 0.030 2 996 96 96 GLU HG2 H 2.213 0.030 2 997 96 96 GLU HG3 H 2.109 0.030 2 998 96 96 GLU C C 175.892 0.300 1 999 96 96 GLU CA C 56.523 0.300 1 1000 96 96 GLU CB C 30.376 0.300 1 1001 96 96 GLU CG C 36.947 0.300 1 1002 96 96 GLU N N 115.007 0.300 1 1003 97 97 GLY H H 7.315 0.030 1 1004 97 97 GLY HA2 H 3.779 0.030 2 1005 97 97 GLY HA3 H 4.438 0.030 2 1006 97 97 GLY C C 172.125 0.300 1 1007 97 97 GLY CA C 44.347 0.300 1 1008 97 97 GLY N N 106.507 0.300 1 1009 98 98 TRP H H 8.493 0.030 1 1010 98 98 TRP HA H 4.821 0.030 1 1011 98 98 TRP HB2 H 3.217 0.030 2 1012 98 98 TRP HB3 H 3.021 0.030 2 1013 98 98 TRP HD1 H 7.280 0.030 1 1014 98 98 TRP HE1 H 10.083 0.030 1 1015 98 98 TRP HE3 H 7.233 0.030 1 1016 98 98 TRP HH2 H 6.864 0.030 1 1017 98 98 TRP HZ2 H 7.266 0.030 1 1018 98 98 TRP HZ3 H 6.801 0.030 1 1019 98 98 TRP C C 178.146 0.300 1 1020 98 98 TRP CA C 57.231 0.300 1 1021 98 98 TRP CB C 31.028 0.300 1 1022 98 98 TRP CD1 C 127.477 0.300 1 1023 98 98 TRP CE3 C 119.839 0.300 1 1024 98 98 TRP CH2 C 124.154 0.300 1 1025 98 98 TRP CZ2 C 115.436 0.300 1 1026 98 98 TRP CZ3 C 122.215 0.300 1 1027 98 98 TRP N N 119.331 0.300 1 1028 98 98 TRP NE1 N 129.977 0.300 1 1029 99 99 GLY H H 9.142 0.030 1 1030 99 99 GLY HA2 H 4.311 0.030 2 1031 99 99 GLY HA3 H 4.195 0.030 2 1032 99 99 GLY C C 173.693 0.300 1 1033 99 99 GLY CA C 44.236 0.300 1 1034 99 99 GLY N N 109.290 0.300 1 1035 100 100 ARG H H 8.555 0.030 1 1036 100 100 ARG HA H 4.180 0.030 1 1037 100 100 ARG HB2 H 1.935 0.030 2 1038 100 100 ARG HB3 H 1.814 0.030 2 1039 100 100 ARG HD2 H 3.249 0.030 1 1040 100 100 ARG HD3 H 3.249 0.030 1 1041 100 100 ARG HG2 H 1.831 0.030 2 1042 100 100 ARG HG3 H 1.782 0.030 2 1043 100 100 ARG C C 176.402 0.300 1 1044 100 100 ARG CA C 56.409 0.300 1 1045 100 100 ARG CB C 31.007 0.300 1 1046 100 100 ARG CD C 43.285 0.300 1 1047 100 100 ARG CG C 27.872 0.300 1 1048 100 100 ARG N N 117.753 0.300 1 1049 101 101 GLU H H 9.225 0.030 1 1050 101 101 GLU HA H 4.771 0.030 1 1051 101 101 GLU HB2 H 1.742 0.030 2 1052 101 101 GLU HB3 H 1.653 0.030 2 1053 101 101 GLU HG2 H 2.117 0.030 2 1054 101 101 GLU HG3 H 2.087 0.030 2 1055 101 101 GLU C C 175.772 0.300 1 1056 101 101 GLU CA C 55.183 0.300 1 1057 101 101 GLU CB C 30.676 0.300 1 1058 101 101 GLU CG C 36.110 0.300 1 1059 101 101 GLU N N 120.321 0.300 1 1060 102 102 ARG H H 8.781 0.030 1 1061 102 102 ARG HA H 4.687 0.030 1 1062 102 102 ARG HB2 H 1.943 0.030 2 1063 102 102 ARG HB3 H 1.575 0.030 2 1064 102 102 ARG HD2 H 3.338 0.030 2 1065 102 102 ARG HD3 H 3.500 0.030 2 1066 102 102 ARG HG2 H 1.666 0.030 2 1067 102 102 ARG HG3 H 1.434 0.030 2 1068 102 102 ARG C C 174.310 0.300 1 1069 102 102 ARG CA C 52.982 0.300 1 1070 102 102 ARG CB C 31.389 0.300 1 1071 102 102 ARG CD C 41.207 0.300 1 1072 102 102 ARG CG C 25.615 0.300 1 1073 102 102 ARG N N 121.504 0.300 1 1074 103 103 GLU H H 8.929 0.030 1 1075 103 103 GLU HA H 5.885 0.030 1 1076 103 103 GLU HB2 H 2.005 0.030 1 1077 103 103 GLU HB3 H 2.005 0.030 1 1078 103 103 GLU HG2 H 2.235 0.030 2 1079 103 103 GLU HG3 H 2.062 0.030 2 1080 103 103 GLU C C 177.121 0.300 1 1081 103 103 GLU CA C 54.255 0.300 1 1082 103 103 GLU CB C 33.727 0.300 1 1083 103 103 GLU CG C 37.804 0.300 1 1084 103 103 GLU N N 127.245 0.300 1 1085 104 104 GLY H H 9.211 0.030 1 1086 104 104 GLY HA2 H 3.930 0.030 2 1087 104 104 GLY HA3 H 4.726 0.030 2 1088 104 104 GLY C C 170.498 0.300 1 1089 104 104 GLY CA C 45.853 0.300 1 1090 104 104 GLY N N 111.597 0.300 1 1091 105 105 VAL H H 8.538 0.030 1 1092 105 105 VAL HA H 5.417 0.030 1 1093 105 105 VAL HB H 1.954 0.030 1 1094 105 105 VAL HG1 H 1.002 0.030 1 1095 105 105 VAL HG2 H 0.925 0.030 1 1096 105 105 VAL C C 174.422 0.300 1 1097 105 105 VAL CA C 60.766 0.300 1 1098 105 105 VAL CB C 34.370 0.300 1 1099 105 105 VAL CG1 C 21.418 0.300 2 1100 105 105 VAL CG2 C 21.135 0.300 2 1101 105 105 VAL N N 122.146 0.300 1 1102 106 106 ILE H H 8.974 0.030 1 1103 106 106 ILE HA H 4.554 0.030 1 1104 106 106 ILE HB H 0.375 0.030 1 1105 106 106 ILE HD1 H 0.746 0.030 1 1106 106 106 ILE HG12 H 0.918 0.030 2 1107 106 106 ILE HG13 H 0.633 0.030 2 1108 106 106 ILE HG2 H 0.311 0.030 1 1109 106 106 ILE C C 171.895 0.300 1 1110 106 106 ILE CA C 56.613 0.300 1 1111 106 106 ILE CB C 41.781 0.300 1 1112 106 106 ILE CD1 C 14.012 0.300 1 1113 106 106 ILE CG1 C 28.812 0.300 1 1114 106 106 ILE CG2 C 18.109 0.300 1 1115 106 106 ILE N N 124.820 0.300 1 1116 107 107 THR H H 7.841 0.030 1 1117 107 107 THR HA H 4.809 0.030 1 1118 107 107 THR HB H 3.809 0.030 1 1119 107 107 THR HG2 H 0.919 0.030 1 1120 107 107 THR C C 173.674 0.300 1 1121 107 107 THR CA C 61.570 0.300 1 1122 107 107 THR CB C 70.185 0.300 1 1123 107 107 THR CG2 C 21.134 0.300 1 1124 107 107 THR N N 122.328 0.300 1 1125 108 108 ILE H H 8.862 0.030 1 1126 108 108 ILE HA H 4.068 0.030 1 1127 108 108 ILE HB H 2.272 0.030 1 1128 108 108 ILE HD1 H 0.572 0.030 1 1129 108 108 ILE HG12 H 1.552 0.030 2 1130 108 108 ILE HG13 H 1.389 0.030 2 1131 108 108 ILE HG2 H 0.909 0.030 1 1132 108 108 ILE C C 175.985 0.300 1 1133 108 108 ILE CA C 59.929 0.300 1 1134 108 108 ILE CB C 36.082 0.300 1 1135 108 108 ILE CD1 C 11.626 0.300 1 1136 108 108 ILE CG1 C 27.126 0.300 1 1137 108 108 ILE CG2 C 17.625 0.300 1 1138 108 108 ILE N N 128.063 0.300 1 1139 109 109 GLU H H 8.538 0.030 1 1140 109 109 GLU HA H 4.466 0.030 1 1141 109 109 GLU HB2 H 2.060 0.030 2 1142 109 109 GLU HB3 H 1.930 0.030 2 1143 109 109 GLU HG2 H 2.256 0.030 2 1144 109 109 GLU HG3 H 2.207 0.030 2 1145 109 109 GLU C C 176.495 0.300 1 1146 109 109 GLU CA C 56.162 0.300 1 1147 109 109 GLU CB C 30.901 0.300 1 1148 109 109 GLU CG C 36.304 0.300 1 1149 109 109 GLU N N 128.559 0.300 1 1150 110 110 SER H H 8.581 0.030 1 1151 110 110 SER HA H 4.431 0.030 1 1152 110 110 SER HB2 H 3.822 0.030 1 1153 110 110 SER HB3 H 3.822 0.030 1 1154 110 110 SER C C 174.374 0.300 1 1155 110 110 SER CA C 58.423 0.300 1 1156 110 110 SER CB C 64.112 0.300 1 1157 110 110 SER N N 117.246 0.300 1 1158 111 111 GLN H H 8.597 0.030 1 1159 111 111 GLN HA H 4.433 0.030 1 1160 111 111 GLN HB2 H 1.945 0.030 2 1161 111 111 GLN HB3 H 2.114 0.030 2 1162 111 111 GLN HE21 H 6.849 0.030 2 1163 111 111 GLN HE22 H 7.570 0.030 2 1164 111 111 GLN HG2 H 2.030 0.030 2 1165 111 111 GLN HG3 H 2.336 0.030 2 1166 111 111 GLN C C 175.891 0.300 1 1167 111 111 GLN CA C 55.703 0.300 1 1168 111 111 GLN CB C 29.614 0.300 1 1169 111 111 GLN CG C 33.649 0.300 1 1170 111 111 GLN N N 122.655 0.300 1 1171 111 111 GLN NE2 N 112.485 0.300 1 1172 112 112 VAL H H 8.286 0.030 1 1173 112 112 VAL HA H 4.160 0.030 1 1174 112 112 VAL HB H 2.066 0.030 1 1175 112 112 VAL HG1 H 0.915 0.030 1 1176 112 112 VAL C C 176.186 0.300 1 1177 112 112 VAL CA C 62.319 0.300 1 1178 112 112 VAL CB C 32.778 0.300 1 1179 112 112 VAL CG1 C 20.367 0.300 1 1180 112 112 VAL CG2 C 20.367 0.300 1 1181 112 112 VAL N N 121.584 0.300 1 1182 113 113 SER H H 8.443 0.030 1 1183 113 113 SER HA H 4.503 0.030 1 1184 113 113 SER HB2 H 3.855 0.030 1 1185 113 113 SER HB3 H 3.855 0.030 1 1186 113 113 SER C C 174.504 0.300 1 1187 113 113 SER CA C 58.249 0.300 1 1188 113 113 SER CB C 63.995 0.300 1 1189 113 113 SER N N 119.855 0.300 1 1190 114 114 GLY H H 8.265 0.030 1 1191 114 114 GLY HA2 H 4.179 0.030 2 1192 114 114 GLY HA3 H 4.065 0.030 2 1193 114 114 GLY C C 171.730 0.300 1 1194 114 114 GLY CA C 44.677 0.300 1 1195 114 114 GLY N N 110.895 0.300 1 1196 115 115 PRO HA H 4.470 0.030 1 1197 115 115 PRO HB2 H 1.965 0.030 2 1198 115 115 PRO HB3 H 2.284 0.030 2 1199 115 115 PRO HD2 H 3.621 0.030 1 1200 115 115 PRO HD3 H 3.621 0.030 1 1201 115 115 PRO HG2 H 2.005 0.030 1 1202 115 115 PRO HG3 H 2.005 0.030 1 1203 115 115 PRO C C 177.423 0.300 1 1204 115 115 PRO CA C 63.254 0.300 1 1205 115 115 PRO CB C 32.221 0.300 1 1206 115 115 PRO CD C 49.779 0.300 1 1207 115 115 PRO CG C 27.173 0.300 1 1208 116 116 SER H H 8.543 0.030 1 1209 116 116 SER C C 174.711 0.300 1 1210 116 116 SER N N 116.466 0.300 1 stop_ save_