data_11183 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the FNIII domain of human RIM-binding protein 2 ; _BMRB_accession_number 11183 _BMRB_flat_file_name bmr11183.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 Hayashi F. . . 3 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" 649 "13C chemical shifts" 509 "15N chemical shifts" 110 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 FNIII domain of human RIM-binding protein 2' _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 Hayashi F. . . 3 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 'RIM binding protein 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'fn3 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 'fn3 domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 130 _Mol_residue_sequence ; GSSGSSGVEFSTLPAGPPAP PQDVTVQAGVTPATIRVSWR PPVLTPTGLSNGANVTGYGV YAKGQRVAEVIFPTADSTAV ELVRLRSLEAKGVTVRTLSA QGESVDSAVAAVPPELLVPP TPHPSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 VAL 9 GLU 10 PHE 11 SER 12 THR 13 LEU 14 PRO 15 ALA 16 GLY 17 PRO 18 PRO 19 ALA 20 PRO 21 PRO 22 GLN 23 ASP 24 VAL 25 THR 26 VAL 27 GLN 28 ALA 29 GLY 30 VAL 31 THR 32 PRO 33 ALA 34 THR 35 ILE 36 ARG 37 VAL 38 SER 39 TRP 40 ARG 41 PRO 42 PRO 43 VAL 44 LEU 45 THR 46 PRO 47 THR 48 GLY 49 LEU 50 SER 51 ASN 52 GLY 53 ALA 54 ASN 55 VAL 56 THR 57 GLY 58 TYR 59 GLY 60 VAL 61 TYR 62 ALA 63 LYS 64 GLY 65 GLN 66 ARG 67 VAL 68 ALA 69 GLU 70 VAL 71 ILE 72 PHE 73 PRO 74 THR 75 ALA 76 ASP 77 SER 78 THR 79 ALA 80 VAL 81 GLU 82 LEU 83 VAL 84 ARG 85 LEU 86 ARG 87 SER 88 LEU 89 GLU 90 ALA 91 LYS 92 GLY 93 VAL 94 THR 95 VAL 96 ARG 97 THR 98 LEU 99 SER 100 ALA 101 GLN 102 GLY 103 GLU 104 SER 105 VAL 106 ASP 107 SER 108 ALA 109 VAL 110 ALA 111 ALA 112 VAL 113 PRO 114 PRO 115 GLU 116 LEU 117 LEU 118 VAL 119 PRO 120 PRO 121 THR 122 PRO 123 HIS 124 PRO 125 SER 126 GLY 127 PRO 128 SER 129 SER 130 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2CSP "Solution Structure Of The Fniii Domain Of Human Rim-Binding Protein 2" 100.00 130 100.00 100.00 9.45e-82 DBJ BAA20776 "KIAA0318 [Homo sapiens]" 90.00 1106 100.00 100.00 5.42e-68 DBJ BAG72745 "RIMS binding protein 2 [synthetic construct]" 90.00 1052 100.00 100.00 5.95e-68 GB AAH07632 "RIMBP2 protein [Homo sapiens]" 90.00 645 100.00 100.00 6.85e-69 GB ADZ15327 "RIMS binding protein 2 [synthetic construct]" 90.00 645 100.00 100.00 6.85e-69 GB AIC62116 "RIMBP2, partial [synthetic construct]" 90.00 645 100.00 100.00 6.77e-69 GB EAW98512 "RIMS binding protein 2 [Homo sapiens]" 90.00 1052 100.00 100.00 5.44e-68 GB EHH21329 "hypothetical protein EGK_04361 [Macaca mulatta]" 90.00 1052 98.29 99.15 9.06e-67 REF NP_056162 "RIMS-binding protein 2 [Homo sapiens]" 90.00 1052 100.00 100.00 5.44e-68 REF XP_005572673 "PREDICTED: RIMS-binding protein 2 isoform X1 [Macaca fascicularis]" 90.00 1361 98.29 99.15 9.56e-66 REF XP_005572674 "PREDICTED: RIMS-binding protein 2 isoform X2 [Macaca fascicularis]" 90.00 1356 98.29 99.15 1.12e-65 REF XP_005572675 "PREDICTED: RIMS-binding protein 2 isoform X3 [Macaca fascicularis]" 90.00 1311 98.29 99.15 1.27e-65 REF XP_005572676 "PREDICTED: RIMS-binding protein 2 isoform X4 [Macaca fascicularis]" 90.00 1307 98.29 99.15 8.76e-66 SP O15034 "RecName: Full=RIMS-binding protein 2; Short=RIM-BP2" 90.00 1052 100.00 100.00 5.44e-68 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 P040705-13 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.09mM U-15N, 13C-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.09 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 0.9296 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_ ############################# # 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 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _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 'fn3 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 7 7 GLY HA2 H 4.007 0.030 1 2 7 7 GLY HA3 H 4.007 0.030 1 3 7 7 GLY C C 174.134 0.300 1 4 7 7 GLY CA C 45.404 0.300 1 5 8 8 VAL H H 7.928 0.030 1 6 8 8 VAL HA H 4.098 0.030 1 7 8 8 VAL HB H 2.005 0.030 1 8 8 8 VAL HG1 H 0.841 0.030 1 9 8 8 VAL HG2 H 0.862 0.030 1 10 8 8 VAL C C 176.158 0.300 1 11 8 8 VAL CA C 62.308 0.300 1 12 8 8 VAL CB C 32.735 0.300 1 13 8 8 VAL CG1 C 21.179 0.300 2 14 8 8 VAL CG2 C 20.324 0.300 2 15 8 8 VAL N N 118.908 0.300 1 16 9 9 GLU H H 8.541 0.030 1 17 9 9 GLU HA H 4.216 0.030 1 18 9 9 GLU HB2 H 1.825 0.030 2 19 9 9 GLU HB3 H 1.898 0.030 2 20 9 9 GLU HG2 H 2.053 0.030 2 21 9 9 GLU HG3 H 2.158 0.030 2 22 9 9 GLU C C 176.130 0.300 1 23 9 9 GLU CA C 56.641 0.300 1 24 9 9 GLU CB C 30.233 0.300 1 25 9 9 GLU CG C 36.150 0.300 1 26 9 9 GLU N N 124.417 0.300 1 27 10 10 PHE H H 8.215 0.030 1 28 10 10 PHE HA H 4.640 0.030 1 29 10 10 PHE HB2 H 3.000 0.030 2 30 10 10 PHE HB3 H 3.162 0.030 2 31 10 10 PHE HD1 H 7.239 0.030 1 32 10 10 PHE HD2 H 7.239 0.030 1 33 10 10 PHE HE1 H 7.329 0.030 1 34 10 10 PHE HE2 H 7.329 0.030 1 35 10 10 PHE HZ H 7.278 0.030 1 36 10 10 PHE C C 175.689 0.300 1 37 10 10 PHE CA C 57.726 0.300 1 38 10 10 PHE CB C 39.661 0.300 1 39 10 10 PHE CD1 C 131.714 0.300 1 40 10 10 PHE CD2 C 131.714 0.300 1 41 10 10 PHE CE1 C 131.536 0.300 1 42 10 10 PHE CE2 C 131.536 0.300 1 43 10 10 PHE CZ C 129.882 0.300 1 44 10 10 PHE N N 121.211 0.300 1 45 11 11 SER H H 8.230 0.030 1 46 11 11 SER HA H 4.465 0.030 1 47 11 11 SER HB2 H 3.803 0.030 1 48 11 11 SER HB3 H 3.803 0.030 1 49 11 11 SER C C 174.444 0.300 1 50 11 11 SER CA C 58.274 0.300 1 51 11 11 SER CB C 63.950 0.300 1 52 11 11 SER N N 117.126 0.300 1 53 12 12 THR H H 8.140 0.030 1 54 12 12 THR HA H 4.326 0.030 1 55 12 12 THR HB H 4.210 0.030 1 56 12 12 THR HG2 H 1.194 0.030 1 57 12 12 THR C C 174.222 0.300 1 58 12 12 THR CA C 61.707 0.300 1 59 12 12 THR CB C 69.745 0.300 1 60 12 12 THR CG2 C 21.719 0.300 1 61 12 12 THR N N 115.971 0.300 1 62 13 13 LEU H H 8.168 0.030 1 63 13 13 LEU HA H 4.587 0.030 1 64 13 13 LEU HB2 H 1.560 0.030 1 65 13 13 LEU HB3 H 1.560 0.030 1 66 13 13 LEU HD1 H 0.890 0.030 1 67 13 13 LEU HD2 H 0.917 0.030 1 68 13 13 LEU HG H 1.664 0.030 1 69 13 13 LEU C C 175.092 0.300 1 70 13 13 LEU CA C 53.096 0.300 1 71 13 13 LEU CB C 41.729 0.300 1 72 13 13 LEU CD1 C 23.436 0.300 2 73 13 13 LEU CD2 C 25.221 0.300 2 74 13 13 LEU CG C 27.030 0.300 1 75 13 13 LEU N N 126.046 0.300 1 76 14 14 PRO HA H 4.347 0.030 1 77 14 14 PRO HB2 H 1.874 0.030 2 78 14 14 PRO HB3 H 2.212 0.030 2 79 14 14 PRO HD2 H 3.814 0.030 2 80 14 14 PRO HD3 H 3.600 0.030 2 81 14 14 PRO HG2 H 1.970 0.030 1 82 14 14 PRO HG3 H 1.970 0.030 1 83 14 14 PRO C C 175.927 0.300 1 84 14 14 PRO CA C 63.214 0.300 1 85 14 14 PRO CB C 32.050 0.300 1 86 14 14 PRO CD C 50.581 0.300 1 87 14 14 PRO CG C 27.399 0.300 1 88 15 15 ALA H H 8.354 0.030 1 89 15 15 ALA HA H 4.465 0.030 1 90 15 15 ALA HB H 1.218 0.030 1 91 15 15 ALA C C 176.716 0.300 1 92 15 15 ALA CA C 51.205 0.300 1 93 15 15 ALA CB C 19.727 0.300 1 94 15 15 ALA N N 125.030 0.300 1 95 16 16 GLY H H 8.057 0.030 1 96 16 16 GLY HA2 H 3.273 0.030 2 97 16 16 GLY HA3 H 4.025 0.030 2 98 16 16 GLY C C 170.968 0.300 1 99 16 16 GLY CA C 44.311 0.300 1 100 16 16 GLY N N 107.159 0.300 1 101 17 17 PRO HA H 4.522 0.030 1 102 17 17 PRO HB2 H 1.963 0.030 2 103 17 17 PRO HB3 H 2.434 0.030 2 104 17 17 PRO HD2 H 3.487 0.030 2 105 17 17 PRO HD3 H 3.554 0.030 2 106 17 17 PRO HG2 H 1.829 0.030 2 107 17 17 PRO HG3 H 1.936 0.030 2 108 17 17 PRO CA C 61.045 0.300 1 109 17 17 PRO CB C 33.599 0.300 1 110 17 17 PRO CD C 50.688 0.300 1 111 17 17 PRO CG C 24.841 0.300 1 112 18 18 PRO HA H 4.529 0.030 1 113 18 18 PRO HB2 H 1.971 0.030 1 114 18 18 PRO HB3 H 1.971 0.030 1 115 18 18 PRO HD2 H 3.178 0.030 1 116 18 18 PRO HD3 H 3.178 0.030 1 117 18 18 PRO HG2 H 1.694 0.030 2 118 18 18 PRO HG3 H 1.745 0.030 2 119 18 18 PRO C C 173.795 0.300 1 120 18 18 PRO CA C 62.044 0.300 1 121 18 18 PRO CB C 32.084 0.300 1 122 18 18 PRO CD C 49.726 0.300 1 123 18 18 PRO CG C 27.529 0.300 1 124 19 19 ALA H H 8.246 0.030 1 125 19 19 ALA HA H 4.442 0.030 1 126 19 19 ALA HB H 1.378 0.030 1 127 19 19 ALA C C 175.446 0.300 1 128 19 19 ALA CA C 50.276 0.300 1 129 19 19 ALA CB C 18.013 0.300 1 130 19 19 ALA N N 122.906 0.300 1 131 20 20 PRO HA H 5.044 0.030 1 132 20 20 PRO HB2 H 1.858 0.030 2 133 20 20 PRO HB3 H 2.333 0.030 2 134 20 20 PRO HD2 H 3.730 0.030 2 135 20 20 PRO HD3 H 3.802 0.030 2 136 20 20 PRO HG2 H 1.897 0.030 1 137 20 20 PRO HG3 H 1.897 0.030 1 138 20 20 PRO CA C 61.004 0.300 1 139 20 20 PRO CB C 30.169 0.300 1 140 20 20 PRO CD C 49.942 0.300 1 141 20 20 PRO CG C 26.485 0.300 1 142 21 21 PRO HA H 4.579 0.030 1 143 21 21 PRO HB2 H 1.941 0.030 2 144 21 21 PRO HB3 H 1.473 0.030 2 145 21 21 PRO HD2 H 4.258 0.030 2 146 21 21 PRO HD3 H 3.261 0.030 2 147 21 21 PRO HG2 H 1.292 0.030 2 148 21 21 PRO HG3 H 1.451 0.030 2 149 21 21 PRO C C 174.654 0.300 1 150 21 21 PRO CA C 62.062 0.300 1 151 21 21 PRO CB C 33.591 0.300 1 152 21 21 PRO CD C 49.289 0.300 1 153 21 21 PRO CG C 27.102 0.300 1 154 22 22 GLN H H 8.300 0.030 1 155 22 22 GLN HA H 4.763 0.030 1 156 22 22 GLN HB2 H 1.786 0.030 2 157 22 22 GLN HB3 H 2.194 0.030 2 158 22 22 GLN HE21 H 6.880 0.030 2 159 22 22 GLN HE22 H 7.511 0.030 2 160 22 22 GLN HG2 H 2.335 0.030 1 161 22 22 GLN HG3 H 2.335 0.030 1 162 22 22 GLN C C 174.089 0.300 1 163 22 22 GLN CA C 53.705 0.300 1 164 22 22 GLN CB C 33.429 0.300 1 165 22 22 GLN CG C 34.142 0.300 1 166 22 22 GLN N N 114.929 0.300 1 167 22 22 GLN NE2 N 112.530 0.300 1 168 23 23 ASP H H 8.824 0.030 1 169 23 23 ASP HA H 4.253 0.030 1 170 23 23 ASP HB2 H 2.592 0.030 2 171 23 23 ASP HB3 H 2.844 0.030 2 172 23 23 ASP C C 174.353 0.300 1 173 23 23 ASP CA C 55.109 0.300 1 174 23 23 ASP CB C 39.572 0.300 1 175 23 23 ASP N N 118.701 0.300 1 176 24 24 VAL H H 8.193 0.030 1 177 24 24 VAL HA H 4.921 0.030 1 178 24 24 VAL HB H 1.980 0.030 1 179 24 24 VAL HG1 H 0.994 0.030 1 180 24 24 VAL HG2 H 0.892 0.030 1 181 24 24 VAL C C 177.614 0.300 1 182 24 24 VAL CA C 62.969 0.300 1 183 24 24 VAL CB C 31.170 0.300 1 184 24 24 VAL CG1 C 21.417 0.300 2 185 24 24 VAL CG2 C 22.720 0.300 2 186 24 24 VAL N N 119.467 0.300 1 187 25 25 THR H H 9.262 0.030 1 188 25 25 THR HA H 4.654 0.030 1 189 25 25 THR HB H 4.055 0.030 1 190 25 25 THR HG2 H 1.104 0.030 1 191 25 25 THR C C 172.304 0.300 1 192 25 25 THR CA C 60.843 0.300 1 193 25 25 THR CB C 72.696 0.300 1 194 25 25 THR CG2 C 21.041 0.300 1 195 25 25 THR N N 121.196 0.300 1 196 26 26 VAL H H 8.422 0.030 1 197 26 26 VAL HA H 4.873 0.030 1 198 26 26 VAL HB H 1.982 0.030 1 199 26 26 VAL HG1 H 0.908 0.030 1 200 26 26 VAL HG2 H 0.790 0.030 1 201 26 26 VAL C C 174.646 0.300 1 202 26 26 VAL CA C 61.107 0.300 1 203 26 26 VAL CB C 34.486 0.300 1 204 26 26 VAL CG1 C 23.597 0.300 2 205 26 26 VAL CG2 C 22.024 0.300 2 206 26 26 VAL N N 121.217 0.300 1 207 27 27 GLN H H 8.895 0.030 1 208 27 27 GLN HA H 4.703 0.030 1 209 27 27 GLN HB2 H 1.967 0.030 2 210 27 27 GLN HB3 H 2.199 0.030 2 211 27 27 GLN HE21 H 6.814 0.030 2 212 27 27 GLN HE22 H 7.398 0.030 2 213 27 27 GLN HG2 H 2.287 0.030 2 214 27 27 GLN HG3 H 2.338 0.030 2 215 27 27 GLN C C 174.084 0.300 1 216 27 27 GLN CA C 53.688 0.300 1 217 27 27 GLN CB C 33.878 0.300 1 218 27 27 GLN CG C 33.861 0.300 1 219 27 27 GLN N N 123.488 0.300 1 220 27 27 GLN NE2 N 111.694 0.300 1 221 28 28 ALA H H 8.713 0.030 1 222 28 28 ALA HA H 4.231 0.030 1 223 28 28 ALA HB H 1.486 0.030 1 224 28 28 ALA C C 178.070 0.300 1 225 28 28 ALA CA C 53.632 0.300 1 226 28 28 ALA CB C 18.981 0.300 1 227 28 28 ALA N N 122.820 0.300 1 228 29 29 GLY H H 7.909 0.030 1 229 29 29 GLY HA2 H 3.946 0.030 2 230 29 29 GLY HA3 H 4.020 0.030 2 231 29 29 GLY C C 174.470 0.300 1 232 29 29 GLY CA C 43.822 0.300 1 233 29 29 GLY N N 107.988 0.300 1 234 30 30 VAL H H 8.623 0.030 1 235 30 30 VAL HA H 3.861 0.030 1 236 30 30 VAL HB H 2.118 0.030 1 237 30 30 VAL HG1 H 1.003 0.030 1 238 30 30 VAL HG2 H 0.995 0.030 1 239 30 30 VAL C C 176.894 0.300 1 240 30 30 VAL CA C 64.676 0.300 1 241 30 30 VAL CB C 31.840 0.300 1 242 30 30 VAL CG1 C 21.195 0.300 1 243 30 30 VAL CG2 C 21.195 0.300 1 244 30 30 VAL N N 117.716 0.300 1 245 31 31 THR H H 7.524 0.030 1 246 31 31 THR HA H 4.849 0.030 1 247 31 31 THR HB H 4.539 0.030 1 248 31 31 THR HG2 H 1.226 0.030 1 249 31 31 THR C C 173.186 0.300 1 250 31 31 THR CA C 58.513 0.300 1 251 31 31 THR CB C 69.569 0.300 1 252 31 31 THR CG2 C 21.677 0.300 1 253 31 31 THR N N 110.026 0.300 1 254 32 32 PRO HA H 4.553 0.030 1 255 32 32 PRO HB2 H 1.895 0.030 2 256 32 32 PRO HB3 H 2.431 0.030 2 257 32 32 PRO HD2 H 3.722 0.030 2 258 32 32 PRO HD3 H 3.918 0.030 2 259 32 32 PRO HG2 H 1.962 0.030 2 260 32 32 PRO HG3 H 2.073 0.030 2 261 32 32 PRO C C 176.217 0.300 1 262 32 32 PRO CA C 63.907 0.300 1 263 32 32 PRO CB C 31.935 0.300 1 264 32 32 PRO CD C 51.171 0.300 1 265 32 32 PRO CG C 27.657 0.300 1 266 33 33 ALA H H 7.637 0.030 1 267 33 33 ALA HA H 4.362 0.030 1 268 33 33 ALA HB H 1.524 0.030 1 269 33 33 ALA C C 178.729 0.300 1 270 33 33 ALA CA C 53.206 0.300 1 271 33 33 ALA CB C 19.977 0.300 1 272 33 33 ALA N N 117.122 0.300 1 273 34 34 THR H H 7.965 0.030 1 274 34 34 THR HA H 5.409 0.030 1 275 34 34 THR HB H 4.203 0.030 1 276 34 34 THR HG2 H 1.094 0.030 1 277 34 34 THR C C 173.941 0.300 1 278 34 34 THR CA C 59.642 0.300 1 279 34 34 THR CB C 73.999 0.300 1 280 34 34 THR CG2 C 21.782 0.300 1 281 34 34 THR N N 107.905 0.300 1 282 35 35 ILE H H 8.522 0.030 1 283 35 35 ILE HA H 4.726 0.030 1 284 35 35 ILE HB H 1.938 0.030 1 285 35 35 ILE HD1 H 0.629 0.030 1 286 35 35 ILE HG12 H 1.387 0.030 2 287 35 35 ILE HG13 H 0.921 0.030 2 288 35 35 ILE HG2 H 0.861 0.030 1 289 35 35 ILE C C 174.538 0.300 1 290 35 35 ILE CA C 59.652 0.300 1 291 35 35 ILE CB C 40.886 0.300 1 292 35 35 ILE CD1 C 14.668 0.300 1 293 35 35 ILE CG1 C 25.922 0.300 1 294 35 35 ILE CG2 C 19.646 0.300 1 295 35 35 ILE N N 109.814 0.300 1 296 36 36 ARG H H 8.785 0.030 1 297 36 36 ARG HA H 4.817 0.030 1 298 36 36 ARG HB2 H 1.590 0.030 2 299 36 36 ARG HB3 H 1.509 0.030 2 300 36 36 ARG HD2 H 3.041 0.030 1 301 36 36 ARG HD3 H 3.041 0.030 1 302 36 36 ARG HG2 H 1.285 0.030 2 303 36 36 ARG HG3 H 1.448 0.030 2 304 36 36 ARG C C 175.025 0.300 1 305 36 36 ARG CA C 55.396 0.300 1 306 36 36 ARG CB C 32.554 0.300 1 307 36 36 ARG CD C 43.353 0.300 1 308 36 36 ARG CG C 27.926 0.300 1 309 36 36 ARG N N 121.964 0.300 1 310 37 37 VAL H H 8.787 0.030 1 311 37 37 VAL HA H 4.945 0.030 1 312 37 37 VAL HB H 1.973 0.030 1 313 37 37 VAL HG1 H 1.031 0.030 1 314 37 37 VAL HG2 H 0.925 0.030 1 315 37 37 VAL C C 173.710 0.300 1 316 37 37 VAL CA C 60.812 0.300 1 317 37 37 VAL CB C 33.750 0.300 1 318 37 37 VAL CG1 C 21.735 0.300 2 319 37 37 VAL CG2 C 23.001 0.300 2 320 37 37 VAL N N 129.453 0.300 1 321 38 38 SER H H 8.997 0.030 1 322 38 38 SER HA H 4.903 0.030 1 323 38 38 SER HB2 H 3.547 0.030 2 324 38 38 SER HB3 H 3.643 0.030 2 325 38 38 SER C C 172.514 0.300 1 326 38 38 SER CA C 56.729 0.300 1 327 38 38 SER CB C 65.999 0.300 1 328 38 38 SER N N 120.879 0.300 1 329 39 39 TRP H H 7.967 0.030 1 330 39 39 TRP HA H 4.939 0.030 1 331 39 39 TRP HB2 H 2.783 0.030 2 332 39 39 TRP HB3 H 3.417 0.030 2 333 39 39 TRP HD1 H 5.969 0.030 1 334 39 39 TRP HE1 H 7.623 0.030 1 335 39 39 TRP HE3 H 6.908 0.030 1 336 39 39 TRP HH2 H 6.442 0.030 1 337 39 39 TRP HZ2 H 6.664 0.030 1 338 39 39 TRP HZ3 H 6.474 0.030 1 339 39 39 TRP C C 173.295 0.300 1 340 39 39 TRP CA C 56.546 0.300 1 341 39 39 TRP CB C 30.895 0.300 1 342 39 39 TRP CD1 C 123.367 0.300 1 343 39 39 TRP CE3 C 119.828 0.300 1 344 39 39 TRP CH2 C 121.989 0.300 1 345 39 39 TRP CZ2 C 114.603 0.300 1 346 39 39 TRP CZ3 C 121.329 0.300 1 347 39 39 TRP N N 116.404 0.300 1 348 39 39 TRP NE1 N 128.042 0.300 1 349 40 40 ARG H H 9.130 0.030 1 350 40 40 ARG HA H 5.081 0.030 1 351 40 40 ARG HB2 H 1.730 0.030 1 352 40 40 ARG HB3 H 1.730 0.030 1 353 40 40 ARG HD2 H 3.241 0.030 1 354 40 40 ARG HD3 H 3.241 0.030 1 355 40 40 ARG HG2 H 1.688 0.030 2 356 40 40 ARG HG3 H 1.626 0.030 2 357 40 40 ARG C C 174.742 0.300 1 358 40 40 ARG CA C 52.182 0.300 1 359 40 40 ARG CB C 31.578 0.300 1 360 40 40 ARG CD C 43.663 0.300 1 361 40 40 ARG CG C 26.993 0.300 1 362 40 40 ARG N N 119.317 0.300 1 363 41 41 PRO HA H 4.462 0.030 1 364 41 41 PRO HB2 H 2.227 0.030 2 365 41 41 PRO HB3 H 2.696 0.030 2 366 41 41 PRO HD2 H 3.868 0.030 2 367 41 41 PRO HD3 H 3.919 0.030 2 368 41 41 PRO HG2 H 1.862 0.030 2 369 41 41 PRO HG3 H 1.977 0.030 2 370 41 41 PRO CA C 62.138 0.300 1 371 41 41 PRO CB C 31.012 0.300 1 372 41 41 PRO CD C 51.903 0.300 1 373 41 41 PRO CG C 27.119 0.300 1 374 42 42 PRO HA H 4.514 0.030 1 375 42 42 PRO HB2 H 2.035 0.030 1 376 42 42 PRO HB3 H 2.035 0.030 1 377 42 42 PRO HD2 H 3.252 0.030 2 378 42 42 PRO HD3 H 4.546 0.030 2 379 42 42 PRO HG2 H 2.003 0.030 2 380 42 42 PRO HG3 H 2.257 0.030 2 381 42 42 PRO C C 174.895 0.300 1 382 42 42 PRO CA C 62.322 0.300 1 383 42 42 PRO CB C 32.590 0.300 1 384 42 42 PRO CD C 50.596 0.300 1 385 42 42 PRO CG C 26.412 0.300 1 386 43 43 VAL H H 7.999 0.030 1 387 43 43 VAL HA H 3.772 0.030 1 388 43 43 VAL HB H 1.940 0.030 1 389 43 43 VAL HG1 H 1.057 0.030 1 390 43 43 VAL HG2 H 0.924 0.030 1 391 43 43 VAL C C 176.557 0.300 1 392 43 43 VAL CA C 63.741 0.300 1 393 43 43 VAL CB C 31.920 0.300 1 394 43 43 VAL CG1 C 21.728 0.300 2 395 43 43 VAL CG2 C 21.239 0.300 2 396 43 43 VAL N N 118.714 0.300 1 397 44 44 LEU H H 8.454 0.030 1 398 44 44 LEU HA H 5.166 0.030 1 399 44 44 LEU HB2 H 1.284 0.030 2 400 44 44 LEU HB3 H 1.783 0.030 2 401 44 44 LEU HD1 H 0.845 0.030 1 402 44 44 LEU HD2 H 0.658 0.030 1 403 44 44 LEU HG H 1.889 0.030 1 404 44 44 LEU C C 178.804 0.300 1 405 44 44 LEU CA C 52.760 0.300 1 406 44 44 LEU CB C 44.324 0.300 1 407 44 44 LEU CD1 C 25.595 0.300 2 408 44 44 LEU CD2 C 24.218 0.300 2 409 44 44 LEU CG C 26.469 0.300 1 410 44 44 LEU N N 128.645 0.300 1 411 45 45 THR H H 8.812 0.030 1 412 45 45 THR HA H 4.742 0.030 1 413 45 45 THR HB H 4.878 0.030 1 414 45 45 THR HG2 H 1.427 0.030 1 415 45 45 THR C C 175.698 0.300 1 416 45 45 THR CA C 61.095 0.300 1 417 45 45 THR CB C 68.402 0.300 1 418 45 45 THR CG2 C 22.574 0.300 1 419 45 45 THR N N 112.359 0.300 1 420 46 46 PRO HA H 4.470 0.030 1 421 46 46 PRO HB2 H 2.530 0.030 2 422 46 46 PRO HB3 H 1.965 0.030 2 423 46 46 PRO HD2 H 3.921 0.030 2 424 46 46 PRO HD3 H 4.017 0.030 2 425 46 46 PRO HG2 H 2.088 0.030 2 426 46 46 PRO HG3 H 2.208 0.030 2 427 46 46 PRO CA C 65.593 0.300 1 428 46 46 PRO CB C 31.984 0.300 1 429 46 46 PRO CD C 51.007 0.300 1 430 46 46 PRO CG C 28.259 0.300 1 431 47 47 THR H H 8.364 0.030 1 432 47 47 THR HA H 4.409 0.030 1 433 47 47 THR HB H 4.526 0.030 1 434 47 47 THR HG2 H 1.198 0.030 1 435 47 47 THR C C 173.919 0.300 1 436 47 47 THR CA C 60.437 0.300 1 437 47 47 THR CB C 68.778 0.300 1 438 47 47 THR CG2 C 22.321 0.300 1 439 48 48 GLY H H 8.375 0.030 1 440 48 48 GLY HA2 H 4.213 0.030 2 441 48 48 GLY HA3 H 3.605 0.030 2 442 48 48 GLY C C 174.176 0.300 1 443 48 48 GLY CA C 46.110 0.300 1 444 48 48 GLY N N 110.196 0.300 1 445 49 49 LEU H H 7.785 0.030 1 446 49 49 LEU HA H 5.342 0.030 1 447 49 49 LEU HB2 H 1.933 0.030 2 448 49 49 LEU HB3 H 0.820 0.030 2 449 49 49 LEU HD1 H 0.711 0.030 1 450 49 49 LEU HD2 H 0.431 0.030 1 451 49 49 LEU HG H 1.337 0.030 1 452 49 49 LEU C C 177.988 0.300 1 453 49 49 LEU CA C 53.550 0.300 1 454 49 49 LEU CB C 43.601 0.300 1 455 49 49 LEU CD1 C 25.631 0.300 2 456 49 49 LEU CD2 C 22.652 0.300 2 457 49 49 LEU CG C 26.607 0.300 1 458 49 49 LEU N N 117.802 0.300 1 459 50 50 SER H H 8.569 0.030 1 460 50 50 SER HA H 4.808 0.030 1 461 50 50 SER HB2 H 3.465 0.030 2 462 50 50 SER HB3 H 3.740 0.030 2 463 50 50 SER C C 175.547 0.300 1 464 50 50 SER CA C 56.824 0.300 1 465 50 50 SER CB C 64.444 0.300 1 466 50 50 SER N N 112.606 0.300 1 467 51 51 ASN H H 9.386 0.030 1 468 51 51 ASN HA H 4.293 0.030 1 469 51 51 ASN HB2 H 2.604 0.030 2 470 51 51 ASN HB3 H 3.277 0.030 2 471 51 51 ASN HD21 H 7.585 0.030 2 472 51 51 ASN HD22 H 6.746 0.030 2 473 51 51 ASN C C 175.289 0.300 1 474 51 51 ASN CA C 53.991 0.300 1 475 51 51 ASN CB C 37.339 0.300 1 476 51 51 ASN ND2 N 111.360 0.300 1 477 52 52 GLY H H 8.622 0.030 1 478 52 52 GLY HA2 H 3.414 0.030 2 479 52 52 GLY HA3 H 4.264 0.030 2 480 52 52 GLY C C 172.043 0.300 1 481 52 52 GLY CA C 45.537 0.300 1 482 52 52 GLY N N 101.400 0.300 1 483 53 53 ALA H H 7.933 0.030 1 484 53 53 ALA HA H 4.408 0.030 1 485 53 53 ALA HB H 1.310 0.030 1 486 53 53 ALA C C 177.021 0.300 1 487 53 53 ALA CA C 50.291 0.300 1 488 53 53 ALA CB C 20.875 0.300 1 489 53 53 ALA N N 123.251 0.300 1 490 54 54 ASN H H 9.405 0.030 1 491 54 54 ASN HA H 4.521 0.030 1 492 54 54 ASN HB2 H 2.604 0.030 2 493 54 54 ASN HB3 H 2.754 0.030 2 494 54 54 ASN HD21 H 7.700 0.030 2 495 54 54 ASN HD22 H 6.899 0.030 2 496 54 54 ASN C C 173.539 0.300 1 497 54 54 ASN CA C 53.938 0.300 1 498 54 54 ASN CB C 38.672 0.300 1 499 54 54 ASN N N 120.665 0.300 1 500 54 54 ASN ND2 N 113.349 0.300 1 501 55 55 VAL H H 7.448 0.030 1 502 55 55 VAL HA H 3.846 0.030 1 503 55 55 VAL HB H 2.008 0.030 1 504 55 55 VAL HG1 H 1.077 0.030 1 505 55 55 VAL HG2 H 1.039 0.030 1 506 55 55 VAL C C 176.238 0.300 1 507 55 55 VAL CA C 64.993 0.300 1 508 55 55 VAL CB C 32.285 0.300 1 509 55 55 VAL CG1 C 21.250 0.300 2 510 55 55 VAL CG2 C 24.741 0.300 2 511 55 55 VAL N N 128.345 0.300 1 512 56 56 THR H H 9.004 0.030 1 513 56 56 THR HA H 4.406 0.030 1 514 56 56 THR HB H 3.999 0.030 1 515 56 56 THR HG2 H 1.042 0.030 1 516 56 56 THR C C 174.861 0.300 1 517 56 56 THR CA C 60.850 0.300 1 518 56 56 THR CB C 69.636 0.300 1 519 56 56 THR CG2 C 22.296 0.300 1 520 56 56 THR N N 117.762 0.300 1 521 57 57 GLY H H 6.916 0.030 1 522 57 57 GLY HA2 H 3.759 0.030 2 523 57 57 GLY HA3 H 4.509 0.030 2 524 57 57 GLY C C 169.645 0.300 1 525 57 57 GLY CA C 45.677 0.300 1 526 57 57 GLY N N 106.887 0.300 1 527 58 58 TYR H H 8.471 0.030 1 528 58 58 TYR HA H 5.055 0.030 1 529 58 58 TYR HB2 H 2.079 0.030 2 530 58 58 TYR HB3 H 2.301 0.030 2 531 58 58 TYR HD1 H 6.455 0.030 3 532 58 58 TYR HD2 H 7.088 0.030 3 533 58 58 TYR HE1 H 6.929 0.030 3 534 58 58 TYR HE2 H 7.096 0.030 3 535 58 58 TYR C C 174.252 0.300 1 536 58 58 TYR CA C 57.859 0.300 1 537 58 58 TYR CB C 43.581 0.300 1 538 58 58 TYR CD1 C 132.591 0.300 3 539 58 58 TYR CD2 C 133.730 0.300 3 540 58 58 TYR CE1 C 118.662 0.300 3 541 58 58 TYR CE2 C 118.193 0.300 3 542 58 58 TYR N N 115.483 0.300 1 543 59 59 GLY H H 9.023 0.030 1 544 59 59 GLY HA2 H 3.252 0.030 2 545 59 59 GLY HA3 H 5.010 0.030 2 546 59 59 GLY C C 170.549 0.300 1 547 59 59 GLY CA C 43.348 0.300 1 548 59 59 GLY N N 106.751 0.300 1 549 60 60 VAL H H 8.639 0.030 1 550 60 60 VAL HA H 4.805 0.030 1 551 60 60 VAL HB H 1.694 0.030 1 552 60 60 VAL HG1 H 0.886 0.030 1 553 60 60 VAL HG2 H 0.660 0.030 1 554 60 60 VAL C C 174.548 0.300 1 555 60 60 VAL CA C 60.841 0.300 1 556 60 60 VAL CB C 32.416 0.300 1 557 60 60 VAL CG1 C 21.586 0.300 2 558 60 60 VAL CG2 C 21.134 0.300 2 559 60 60 VAL N N 124.072 0.300 1 560 61 61 TYR H H 9.770 0.030 1 561 61 61 TYR HA H 5.135 0.030 1 562 61 61 TYR HB2 H 2.306 0.030 2 563 61 61 TYR HB3 H 2.962 0.030 2 564 61 61 TYR HD1 H 6.604 0.030 1 565 61 61 TYR HD2 H 6.604 0.030 1 566 61 61 TYR HE1 H 6.546 0.030 1 567 61 61 TYR HE2 H 6.546 0.030 1 568 61 61 TYR C C 174.443 0.300 1 569 61 61 TYR CA C 56.948 0.300 1 570 61 61 TYR CB C 42.174 0.300 1 571 61 61 TYR CD1 C 132.182 0.300 1 572 61 61 TYR CD2 C 132.182 0.300 1 573 61 61 TYR CE1 C 121.420 0.300 1 574 61 61 TYR CE2 C 121.420 0.300 1 575 61 61 TYR N N 128.277 0.300 1 576 62 62 ALA H H 8.981 0.030 1 577 62 62 ALA HA H 4.820 0.030 1 578 62 62 ALA HB H 1.192 0.030 1 579 62 62 ALA C C 175.903 0.300 1 580 62 62 ALA CA C 51.014 0.300 1 581 62 62 ALA CB C 22.201 0.300 1 582 62 62 ALA N N 121.380 0.300 1 583 63 63 LYS H H 9.346 0.030 1 584 63 63 LYS HA H 3.915 0.030 1 585 63 63 LYS HB2 H 1.857 0.030 2 586 63 63 LYS HB3 H 2.175 0.030 2 587 63 63 LYS HD2 H 1.771 0.030 1 588 63 63 LYS HD3 H 1.771 0.030 1 589 63 63 LYS HE2 H 3.113 0.030 2 590 63 63 LYS HE3 H 3.027 0.030 2 591 63 63 LYS HG2 H 1.426 0.030 2 592 63 63 LYS HG3 H 1.597 0.030 2 593 63 63 LYS C C 176.813 0.300 1 594 63 63 LYS CA C 56.799 0.300 1 595 63 63 LYS CB C 30.678 0.300 1 596 63 63 LYS CD C 29.425 0.300 1 597 63 63 LYS CE C 42.494 0.300 1 598 63 63 LYS CG C 25.342 0.300 1 599 63 63 LYS N N 120.836 0.300 1 600 64 64 GLY H H 8.371 0.030 1 601 64 64 GLY HA2 H 4.192 0.030 2 602 64 64 GLY HA3 H 3.602 0.030 2 603 64 64 GLY C C 173.757 0.300 1 604 64 64 GLY CA C 45.842 0.300 1 605 64 64 GLY N N 102.153 0.300 1 606 65 65 GLN H H 8.291 0.030 1 607 65 65 GLN HA H 4.680 0.030 1 608 65 65 GLN HB2 H 2.061 0.030 1 609 65 65 GLN HB3 H 2.061 0.030 1 610 65 65 GLN HE21 H 6.925 0.030 2 611 65 65 GLN HE22 H 7.570 0.030 2 612 65 65 GLN HG2 H 2.303 0.030 1 613 65 65 GLN HG3 H 2.303 0.030 1 614 65 65 GLN C C 174.505 0.300 1 615 65 65 GLN CA C 53.774 0.300 1 616 65 65 GLN CB C 30.563 0.300 1 617 65 65 GLN CG C 33.655 0.300 1 618 65 65 GLN N N 120.942 0.300 1 619 65 65 GLN NE2 N 113.020 0.300 1 620 66 66 ARG H H 8.918 0.030 1 621 66 66 ARG HA H 3.314 0.030 1 622 66 66 ARG HB2 H 1.589 0.030 2 623 66 66 ARG HB3 H 1.355 0.030 2 624 66 66 ARG HD2 H 3.036 0.030 1 625 66 66 ARG HD3 H 3.036 0.030 1 626 66 66 ARG HE H 6.757 0.030 1 627 66 66 ARG HG2 H 1.370 0.030 2 628 66 66 ARG HG3 H 0.808 0.030 2 629 66 66 ARG C C 177.243 0.300 1 630 66 66 ARG CA C 56.675 0.300 1 631 66 66 ARG CB C 29.871 0.300 1 632 66 66 ARG CD C 44.002 0.300 1 633 66 66 ARG CG C 27.070 0.300 1 634 66 66 ARG N N 126.228 0.300 1 635 66 66 ARG NE N 81.188 0.300 1 636 67 67 VAL H H 9.177 0.030 1 637 67 67 VAL HA H 4.505 0.030 1 638 67 67 VAL HB H 2.130 0.030 1 639 67 67 VAL HG1 H 0.820 0.030 1 640 67 67 VAL HG2 H 0.550 0.030 1 641 67 67 VAL C C 174.646 0.300 1 642 67 67 VAL CA C 61.107 0.300 1 643 67 67 VAL CB C 33.220 0.300 1 644 67 67 VAL CG1 C 22.542 0.300 2 645 67 67 VAL CG2 C 18.888 0.300 2 646 67 67 VAL N N 120.790 0.300 1 647 68 68 ALA H H 7.754 0.030 1 648 68 68 ALA HA H 4.599 0.030 1 649 68 68 ALA HB H 1.526 0.030 1 650 68 68 ALA C C 175.308 0.300 1 651 68 68 ALA CA C 52.446 0.300 1 652 68 68 ALA CB C 24.017 0.300 1 653 68 68 ALA N N 121.660 0.300 1 654 69 69 GLU H H 8.681 0.030 1 655 69 69 GLU HA H 5.299 0.030 1 656 69 69 GLU HB2 H 2.183 0.030 2 657 69 69 GLU HB3 H 1.851 0.030 2 658 69 69 GLU HG2 H 2.088 0.030 2 659 69 69 GLU HG3 H 1.940 0.030 2 660 69 69 GLU C C 173.607 0.300 1 661 69 69 GLU CA C 55.345 0.300 1 662 69 69 GLU CB C 32.801 0.300 1 663 69 69 GLU CG C 34.406 0.300 1 664 69 69 GLU N N 115.618 0.300 1 665 70 70 VAL H H 9.016 0.030 1 666 70 70 VAL HA H 4.811 0.030 1 667 70 70 VAL HB H 2.384 0.030 1 668 70 70 VAL HG1 H 1.498 0.030 1 669 70 70 VAL HG2 H 1.342 0.030 1 670 70 70 VAL C C 174.717 0.300 1 671 70 70 VAL CA C 60.160 0.300 1 672 70 70 VAL CB C 34.368 0.300 1 673 70 70 VAL CG1 C 20.865 0.300 2 674 70 70 VAL CG2 C 22.191 0.300 2 675 70 70 VAL N N 118.382 0.300 1 676 71 71 ILE H H 9.104 0.030 1 677 71 71 ILE HA H 4.561 0.030 1 678 71 71 ILE HB H 2.140 0.030 1 679 71 71 ILE HD1 H 0.549 0.030 1 680 71 71 ILE HG12 H 1.250 0.030 2 681 71 71 ILE HG13 H 1.328 0.030 2 682 71 71 ILE HG2 H 0.875 0.030 1 683 71 71 ILE C C 174.985 0.300 1 684 71 71 ILE CA C 58.564 0.300 1 685 71 71 ILE CB C 34.363 0.300 1 686 71 71 ILE CD1 C 10.283 0.300 1 687 71 71 ILE CG1 C 26.811 0.300 1 688 71 71 ILE CG2 C 18.221 0.300 1 689 71 71 ILE N N 130.224 0.300 1 690 72 72 PHE H H 7.202 0.030 1 691 72 72 PHE HA H 5.152 0.030 1 692 72 72 PHE HB2 H 3.221 0.030 2 693 72 72 PHE HB3 H 3.317 0.030 2 694 72 72 PHE HD1 H 7.369 0.030 1 695 72 72 PHE HD2 H 7.369 0.030 1 696 72 72 PHE HE1 H 7.424 0.030 1 697 72 72 PHE HE2 H 7.424 0.030 1 698 72 72 PHE HZ H 7.375 0.030 1 699 72 72 PHE C C 176.448 0.300 1 700 72 72 PHE CA C 56.590 0.300 1 701 72 72 PHE CB C 41.465 0.300 1 702 72 72 PHE CD1 C 131.830 0.300 1 703 72 72 PHE CD2 C 131.830 0.300 1 704 72 72 PHE CE1 C 131.831 0.300 1 705 72 72 PHE CE2 C 131.831 0.300 1 706 72 72 PHE CZ C 129.854 0.300 1 707 72 72 PHE N N 119.728 0.300 1 708 73 73 PRO HA H 4.041 0.030 1 709 73 73 PRO HB2 H 1.950 0.030 2 710 73 73 PRO HB3 H 2.214 0.030 2 711 73 73 PRO HD2 H 3.565 0.030 2 712 73 73 PRO HD3 H 3.770 0.030 2 713 73 73 PRO HG2 H 2.026 0.030 1 714 73 73 PRO HG3 H 2.026 0.030 1 715 73 73 PRO C C 176.008 0.300 1 716 73 73 PRO CA C 65.843 0.300 1 717 73 73 PRO CB C 32.905 0.300 1 718 73 73 PRO CD C 51.275 0.300 1 719 73 73 PRO CG C 27.745 0.300 1 720 74 74 THR H H 7.055 0.030 1 721 74 74 THR HA H 4.581 0.030 1 722 74 74 THR HB H 4.655 0.030 1 723 74 74 THR HG2 H 1.186 0.030 1 724 74 74 THR C C 174.272 0.300 1 725 74 74 THR CA C 59.970 0.300 1 726 74 74 THR CB C 68.375 0.300 1 727 74 74 THR CG2 C 21.828 0.300 1 728 74 74 THR N N 103.555 0.300 1 729 75 75 ALA H H 7.357 0.030 1 730 75 75 ALA HA H 4.164 0.030 1 731 75 75 ALA HB H 1.734 0.030 1 732 75 75 ALA C C 175.415 0.300 1 733 75 75 ALA CA C 53.715 0.300 1 734 75 75 ALA CB C 21.836 0.300 1 735 75 75 ALA N N 126.004 0.300 1 736 76 76 ASP H H 7.528 0.030 1 737 76 76 ASP HA H 3.283 0.030 1 738 76 76 ASP HB2 H 1.959 0.030 2 739 76 76 ASP HB3 H 3.237 0.030 2 740 76 76 ASP C C 174.385 0.300 1 741 76 76 ASP CA C 51.223 0.300 1 742 76 76 ASP CB C 41.631 0.300 1 743 76 76 ASP N N 113.668 0.300 1 744 77 77 SER H H 6.606 0.030 1 745 77 77 SER HA H 4.335 0.030 1 746 77 77 SER HB2 H 3.370 0.030 2 747 77 77 SER HB3 H 3.574 0.030 2 748 77 77 SER C C 174.314 0.300 1 749 77 77 SER CA C 57.347 0.300 1 750 77 77 SER CB C 65.122 0.300 1 751 77 77 SER N N 108.323 0.300 1 752 78 78 THR H H 8.751 0.030 1 753 78 78 THR HA H 4.525 0.030 1 754 78 78 THR HB H 4.421 0.030 1 755 78 78 THR HG2 H 1.031 0.030 1 756 78 78 THR C C 170.889 0.300 1 757 78 78 THR CA C 62.015 0.300 1 758 78 78 THR CB C 69.178 0.300 1 759 78 78 THR CG2 C 18.940 0.300 1 760 78 78 THR N N 112.254 0.300 1 761 79 79 ALA H H 8.061 0.030 1 762 79 79 ALA HA H 5.451 0.030 1 763 79 79 ALA HB H 1.413 0.030 1 764 79 79 ALA C C 177.802 0.300 1 765 79 79 ALA CA C 51.077 0.300 1 766 79 79 ALA CB C 20.870 0.300 1 767 79 79 ALA N N 126.137 0.300 1 768 80 80 VAL H H 8.913 0.030 1 769 80 80 VAL HA H 4.407 0.030 1 770 80 80 VAL HB H 1.721 0.030 1 771 80 80 VAL HG1 H 0.760 0.030 1 772 80 80 VAL HG2 H 0.810 0.030 1 773 80 80 VAL C C 175.472 0.300 1 774 80 80 VAL CA C 60.530 0.300 1 775 80 80 VAL CB C 35.037 0.300 1 776 80 80 VAL CG1 C 21.427 0.300 2 777 80 80 VAL CG2 C 22.675 0.300 2 778 80 80 VAL N N 119.887 0.300 1 779 81 81 GLU H H 9.109 0.030 1 780 81 81 GLU HA H 4.335 0.030 1 781 81 81 GLU HB2 H 2.040 0.030 2 782 81 81 GLU HB3 H 2.275 0.030 2 783 81 81 GLU HG2 H 2.248 0.030 2 784 81 81 GLU HG3 H 2.450 0.030 2 785 81 81 GLU C C 177.450 0.300 1 786 81 81 GLU CA C 57.201 0.300 1 787 81 81 GLU CB C 30.510 0.300 1 788 81 81 GLU CG C 36.685 0.300 1 789 81 81 GLU N N 126.197 0.300 1 790 82 82 LEU H H 8.545 0.030 1 791 82 82 LEU HA H 3.865 0.030 1 792 82 82 LEU HB2 H 1.404 0.030 2 793 82 82 LEU HB3 H 1.647 0.030 2 794 82 82 LEU HD1 H 0.839 0.030 1 795 82 82 LEU HD2 H 0.909 0.030 1 796 82 82 LEU HG H 1.469 0.030 1 797 82 82 LEU C C 179.448 0.300 1 798 82 82 LEU CA C 58.440 0.300 1 799 82 82 LEU CB C 42.241 0.300 1 800 82 82 LEU CD1 C 24.714 0.300 2 801 82 82 LEU CD2 C 25.342 0.300 2 802 82 82 LEU CG C 28.720 0.300 1 803 82 82 LEU N N 127.808 0.300 1 804 83 83 VAL H H 9.020 0.030 1 805 83 83 VAL HA H 3.892 0.030 1 806 83 83 VAL HB H 2.186 0.030 1 807 83 83 VAL HG1 H 1.031 0.030 1 808 83 83 VAL HG2 H 1.072 0.030 1 809 83 83 VAL C C 177.373 0.300 1 810 83 83 VAL CA C 65.742 0.300 1 811 83 83 VAL CB C 31.294 0.300 1 812 83 83 VAL CG1 C 20.592 0.300 2 813 83 83 VAL CG2 C 21.389 0.300 2 814 83 83 VAL N N 117.694 0.300 1 815 84 84 ARG H H 7.128 0.030 1 816 84 84 ARG HA H 4.217 0.030 1 817 84 84 ARG HB2 H 1.956 0.030 2 818 84 84 ARG HB3 H 1.872 0.030 2 819 84 84 ARG HD2 H 3.352 0.030 1 820 84 84 ARG HD3 H 3.352 0.030 1 821 84 84 ARG HG2 H 1.773 0.030 1 822 84 84 ARG HG3 H 1.773 0.030 1 823 84 84 ARG C C 178.615 0.300 1 824 84 84 ARG CA C 58.030 0.300 1 825 84 84 ARG CB C 29.651 0.300 1 826 84 84 ARG CD C 43.011 0.300 1 827 84 84 ARG CG C 27.905 0.300 1 828 84 84 ARG N N 118.952 0.300 1 829 85 85 LEU H H 6.980 0.030 1 830 85 85 LEU HA H 3.954 0.030 1 831 85 85 LEU HB2 H 1.504 0.030 2 832 85 85 LEU HB3 H 1.847 0.030 2 833 85 85 LEU HD1 H 0.676 0.030 1 834 85 85 LEU HD2 H 0.562 0.030 1 835 85 85 LEU HG H 1.575 0.030 1 836 85 85 LEU C C 179.270 0.300 1 837 85 85 LEU CA C 57.878 0.300 1 838 85 85 LEU CB C 41.084 0.300 1 839 85 85 LEU CD1 C 26.187 0.300 2 840 85 85 LEU CD2 C 24.207 0.300 2 841 85 85 LEU CG C 27.710 0.300 1 842 85 85 LEU N N 116.044 0.300 1 843 86 86 ARG H H 8.557 0.030 1 844 86 86 ARG HA H 4.157 0.030 1 845 86 86 ARG HB2 H 1.917 0.030 2 846 86 86 ARG HB3 H 1.849 0.030 2 847 86 86 ARG HD2 H 3.152 0.030 2 848 86 86 ARG HD3 H 3.262 0.030 2 849 86 86 ARG HG2 H 1.754 0.030 2 850 86 86 ARG HG3 H 1.645 0.030 2 851 86 86 ARG C C 180.778 0.300 1 852 86 86 ARG CA C 59.699 0.300 1 853 86 86 ARG CB C 30.000 0.300 1 854 86 86 ARG CD C 43.517 0.300 1 855 86 86 ARG CG C 28.454 0.300 1 856 86 86 ARG N N 118.681 0.300 1 857 87 87 SER H H 8.101 0.030 1 858 87 87 SER HA H 4.252 0.030 1 859 87 87 SER HB2 H 3.996 0.030 1 860 87 87 SER HB3 H 3.996 0.030 1 861 87 87 SER C C 175.304 0.300 1 862 87 87 SER CA C 61.667 0.300 1 863 87 87 SER CB C 62.999 0.300 1 864 87 87 SER N N 115.408 0.300 1 865 88 88 LEU H H 6.931 0.030 1 866 88 88 LEU HA H 4.341 0.030 1 867 88 88 LEU HB2 H 1.623 0.030 2 868 88 88 LEU HB3 H 1.514 0.030 2 869 88 88 LEU HD1 H 0.772 0.030 1 870 88 88 LEU HD2 H 0.852 0.030 1 871 88 88 LEU HG H 1.713 0.030 1 872 88 88 LEU C C 175.603 0.300 1 873 88 88 LEU CA C 54.571 0.300 1 874 88 88 LEU CB C 43.735 0.300 1 875 88 88 LEU CD1 C 26.401 0.300 2 876 88 88 LEU CD2 C 22.669 0.300 2 877 88 88 LEU CG C 26.748 0.300 1 878 88 88 LEU N N 118.850 0.300 1 879 89 89 GLU H H 7.881 0.030 1 880 89 89 GLU HA H 3.861 0.030 1 881 89 89 GLU HB2 H 2.158 0.030 2 882 89 89 GLU HB3 H 2.084 0.030 2 883 89 89 GLU HG2 H 2.194 0.030 1 884 89 89 GLU HG3 H 2.194 0.030 1 885 89 89 GLU C C 175.522 0.300 1 886 89 89 GLU CA C 57.125 0.300 1 887 89 89 GLU CB C 27.191 0.300 1 888 89 89 GLU CG C 36.943 0.300 1 889 89 89 GLU N N 116.402 0.300 1 890 90 90 ALA H H 7.805 0.030 1 891 90 90 ALA HA H 4.456 0.030 1 892 90 90 ALA HB H 1.374 0.030 1 893 90 90 ALA C C 176.978 0.300 1 894 90 90 ALA CA C 51.882 0.300 1 895 90 90 ALA CB C 21.792 0.300 1 896 90 90 ALA N N 118.956 0.300 1 897 91 91 LYS H H 8.919 0.030 1 898 91 91 LYS HA H 4.529 0.030 1 899 91 91 LYS HB2 H 2.029 0.030 2 900 91 91 LYS HB3 H 1.681 0.030 2 901 91 91 LYS HD2 H 1.639 0.030 1 902 91 91 LYS HD3 H 1.639 0.030 1 903 91 91 LYS HE2 H 2.974 0.030 1 904 91 91 LYS HE3 H 2.974 0.030 1 905 91 91 LYS HG2 H 1.429 0.030 2 906 91 91 LYS HG3 H 1.362 0.030 2 907 91 91 LYS C C 176.129 0.300 1 908 91 91 LYS CA C 55.002 0.300 1 909 91 91 LYS CB C 33.535 0.300 1 910 91 91 LYS CD C 28.926 0.300 1 911 91 91 LYS CE C 42.348 0.300 1 912 91 91 LYS CG C 24.920 0.300 1 913 91 91 LYS N N 117.810 0.300 1 914 92 92 GLY H H 7.580 0.030 1 915 92 92 GLY HA2 H 3.726 0.030 2 916 92 92 GLY HA3 H 4.818 0.030 2 917 92 92 GLY C C 171.932 0.300 1 918 92 92 GLY CA C 45.366 0.300 1 919 92 92 GLY N N 107.468 0.300 1 920 93 93 VAL H H 8.724 0.030 1 921 93 93 VAL HA H 5.516 0.030 1 922 93 93 VAL HB H 2.289 0.030 1 923 93 93 VAL HG1 H 0.630 0.030 1 924 93 93 VAL HG2 H 0.611 0.030 1 925 93 93 VAL C C 174.278 0.300 1 926 93 93 VAL CA C 58.450 0.300 1 927 93 93 VAL CB C 35.632 0.300 1 928 93 93 VAL CG1 C 22.073 0.300 2 929 93 93 VAL CG2 C 17.917 0.300 2 930 93 93 VAL N N 111.805 0.300 1 931 94 94 THR H H 9.051 0.030 1 932 94 94 THR HA H 4.495 0.030 1 933 94 94 THR HB H 4.125 0.030 1 934 94 94 THR HG2 H 0.983 0.030 1 935 94 94 THR C C 172.976 0.300 1 936 94 94 THR CA C 59.155 0.300 1 937 94 94 THR CB C 72.292 0.300 1 938 94 94 THR CG2 C 24.514 0.300 1 939 94 94 THR N N 109.263 0.300 1 940 95 95 VAL H H 8.782 0.030 1 941 95 95 VAL HA H 5.148 0.030 1 942 95 95 VAL HB H 1.182 0.030 1 943 95 95 VAL HG1 H -0.156 0.030 1 944 95 95 VAL HG2 H 0.667 0.030 1 945 95 95 VAL C C 174.773 0.300 1 946 95 95 VAL CA C 60.162 0.300 1 947 95 95 VAL CB C 34.664 0.300 1 948 95 95 VAL CG1 C 21.099 0.300 2 949 95 95 VAL CG2 C 23.441 0.300 2 950 95 95 VAL N N 118.757 0.300 1 951 96 96 ARG H H 9.020 0.030 1 952 96 96 ARG HA H 4.566 0.030 1 953 96 96 ARG HB2 H 1.680 0.030 2 954 96 96 ARG HB3 H 1.248 0.030 2 955 96 96 ARG HD2 H 1.976 0.030 2 956 96 96 ARG HD3 H 2.849 0.030 2 957 96 96 ARG HE H 6.710 0.030 1 958 96 96 ARG HG2 H 1.138 0.030 2 959 96 96 ARG HG3 H 1.006 0.030 2 960 96 96 ARG C C 175.408 0.300 1 961 96 96 ARG CA C 54.118 0.300 1 962 96 96 ARG CB C 33.842 0.300 1 963 96 96 ARG CD C 42.891 0.300 1 964 96 96 ARG CG C 26.864 0.300 1 965 96 96 ARG N N 121.553 0.300 1 966 96 96 ARG NE N 85.745 0.300 1 967 97 97 THR H H 8.974 0.030 1 968 97 97 THR HA H 4.264 0.030 1 969 97 97 THR HB H 3.673 0.030 1 970 97 97 THR HG2 H 1.260 0.030 1 971 97 97 THR C C 173.268 0.300 1 972 97 97 THR CA C 62.368 0.300 1 973 97 97 THR CB C 69.256 0.300 1 974 97 97 THR CG2 C 26.355 0.300 1 975 97 97 THR N N 122.714 0.300 1 976 98 98 LEU H H 8.932 0.030 1 977 98 98 LEU HA H 4.437 0.030 1 978 98 98 LEU HB2 H 1.184 0.030 2 979 98 98 LEU HB3 H 1.228 0.030 2 980 98 98 LEU HD1 H 0.478 0.030 1 981 98 98 LEU HD2 H 0.679 0.030 1 982 98 98 LEU HG H 1.273 0.030 1 983 98 98 LEU C C 176.255 0.300 1 984 98 98 LEU CA C 53.451 0.300 1 985 98 98 LEU CB C 40.953 0.300 1 986 98 98 LEU CD1 C 25.186 0.300 2 987 98 98 LEU CD2 C 22.625 0.300 2 988 98 98 LEU CG C 27.037 0.300 1 989 98 98 LEU N N 126.010 0.300 1 990 99 99 SER H H 7.717 0.030 1 991 99 99 SER HA H 5.221 0.030 1 992 99 99 SER HB2 H 3.533 0.030 2 993 99 99 SER HB3 H 3.868 0.030 2 994 99 99 SER C C 174.854 0.300 1 995 99 99 SER CA C 58.014 0.300 1 996 99 99 SER CB C 69.253 0.300 1 997 99 99 SER N N 115.724 0.300 1 998 100 100 ALA H H 8.248 0.030 1 999 100 100 ALA HA H 4.234 0.030 1 1000 100 100 ALA HB H 1.484 0.030 1 1001 100 100 ALA C C 177.292 0.300 1 1002 100 100 ALA CA C 54.110 0.300 1 1003 100 100 ALA CB C 18.090 0.300 1 1004 100 100 ALA N N 122.882 0.300 1 1005 101 101 GLN H H 7.971 0.030 1 1006 101 101 GLN HA H 4.374 0.030 1 1007 101 101 GLN HB2 H 1.879 0.030 2 1008 101 101 GLN HB3 H 2.223 0.030 2 1009 101 101 GLN HE21 H 7.181 0.030 2 1010 101 101 GLN HE22 H 7.440 0.030 2 1011 101 101 GLN HG2 H 2.460 0.030 2 1012 101 101 GLN HG3 H 2.289 0.030 2 1013 101 101 GLN C C 175.200 0.300 1 1014 101 101 GLN CA C 56.979 0.300 1 1015 101 101 GLN CB C 27.361 0.300 1 1016 101 101 GLN CG C 34.738 0.300 1 1017 101 101 GLN N N 117.334 0.300 1 1018 101 101 GLN NE2 N 111.085 0.300 1 1019 102 102 GLY H H 7.253 0.030 1 1020 102 102 GLY HA2 H 3.836 0.030 2 1021 102 102 GLY HA3 H 4.578 0.030 2 1022 102 102 GLY C C 173.487 0.300 1 1023 102 102 GLY CA C 43.830 0.300 1 1024 102 102 GLY N N 108.308 0.300 1 1025 103 103 GLU H H 8.302 0.030 1 1026 103 103 GLU HA H 5.125 0.030 1 1027 103 103 GLU HB2 H 2.022 0.030 2 1028 103 103 GLU HB3 H 1.810 0.030 2 1029 103 103 GLU HG2 H 2.194 0.030 2 1030 103 103 GLU HG3 H 2.311 0.030 2 1031 103 103 GLU C C 177.683 0.300 1 1032 103 103 GLU CA C 54.883 0.300 1 1033 103 103 GLU CB C 32.172 0.300 1 1034 103 103 GLU CG C 36.158 0.300 1 1035 103 103 GLU N N 118.152 0.300 1 1036 104 104 SER H H 8.821 0.030 1 1037 104 104 SER HA H 4.433 0.030 1 1038 104 104 SER HB2 H 4.098 0.030 2 1039 104 104 SER HB3 H 3.516 0.030 2 1040 104 104 SER C C 174.673 0.300 1 1041 104 104 SER CA C 58.049 0.300 1 1042 104 104 SER CB C 66.740 0.300 1 1043 104 104 SER N N 114.670 0.300 1 1044 105 105 VAL H H 8.291 0.030 1 1045 105 105 VAL HA H 4.157 0.030 1 1046 105 105 VAL HB H 2.355 0.030 1 1047 105 105 VAL HG1 H 1.024 0.030 1 1048 105 105 VAL HG2 H 0.884 0.030 1 1049 105 105 VAL C C 176.592 0.300 1 1050 105 105 VAL CA C 61.582 0.300 1 1051 105 105 VAL CB C 32.552 0.300 1 1052 105 105 VAL CG1 C 21.424 0.300 2 1053 105 105 VAL CG2 C 17.836 0.300 2 1054 105 105 VAL N N 110.684 0.300 1 1055 106 106 ASP H H 8.081 0.030 1 1056 106 106 ASP HA H 4.239 0.030 1 1057 106 106 ASP HB2 H 2.338 0.030 2 1058 106 106 ASP HB3 H 2.995 0.030 2 1059 106 106 ASP C C 178.390 0.300 1 1060 106 106 ASP CA C 57.058 0.300 1 1061 106 106 ASP CB C 43.288 0.300 1 1062 106 106 ASP N N 119.620 0.300 1 1063 107 107 SER H H 7.890 0.030 1 1064 107 107 SER HA H 4.339 0.030 1 1065 107 107 SER HB2 H 3.964 0.030 2 1066 107 107 SER HB3 H 4.275 0.030 2 1067 107 107 SER C C 173.032 0.300 1 1068 107 107 SER CA C 58.676 0.300 1 1069 107 107 SER CB C 65.635 0.300 1 1070 107 107 SER N N 113.326 0.300 1 1071 108 108 ALA H H 8.283 0.030 1 1072 108 108 ALA HA H 4.282 0.030 1 1073 108 108 ALA HB H 1.478 0.030 1 1074 108 108 ALA C C 178.279 0.300 1 1075 108 108 ALA CA C 53.083 0.300 1 1076 108 108 ALA CB C 18.628 0.300 1 1077 108 108 ALA N N 120.393 0.300 1 1078 109 109 VAL H H 8.300 0.030 1 1079 109 109 VAL HA H 3.973 0.030 1 1080 109 109 VAL HB H 1.864 0.030 1 1081 109 109 VAL HG1 H 0.867 0.030 1 1082 109 109 VAL HG2 H 0.733 0.030 1 1083 109 109 VAL C C 176.085 0.300 1 1084 109 109 VAL CA C 62.389 0.300 1 1085 109 109 VAL CB C 32.501 0.300 1 1086 109 109 VAL CG1 C 21.762 0.300 2 1087 109 109 VAL CG2 C 20.821 0.300 2 1088 109 109 VAL N N 122.684 0.300 1 1089 110 110 ALA H H 9.196 0.030 1 1090 110 110 ALA HA H 4.734 0.030 1 1091 110 110 ALA HB H 1.159 0.030 1 1092 110 110 ALA C C 175.643 0.300 1 1093 110 110 ALA CA C 50.113 0.300 1 1094 110 110 ALA CB C 20.829 0.300 1 1095 110 110 ALA N N 132.331 0.300 1 1096 111 111 ALA H H 8.551 0.030 1 1097 111 111 ALA HA H 4.415 0.030 1 1098 111 111 ALA HB H 1.355 0.030 1 1099 111 111 ALA C C 177.694 0.300 1 1100 111 111 ALA CA C 52.304 0.300 1 1101 111 111 ALA CB C 19.083 0.300 1 1102 111 111 ALA N N 125.827 0.300 1 1103 112 112 VAL H H 8.104 0.030 1 1104 112 112 VAL HA H 4.163 0.030 1 1105 112 112 VAL HB H 1.786 0.030 1 1106 112 112 VAL HG1 H 0.827 0.030 1 1107 112 112 VAL HG2 H 0.723 0.030 1 1108 112 112 VAL C C 173.287 0.300 1 1109 112 112 VAL CA C 59.492 0.300 1 1110 112 112 VAL CB C 32.602 0.300 1 1111 112 112 VAL CG1 C 21.470 0.300 2 1112 112 112 VAL CG2 C 21.267 0.300 2 1113 112 112 VAL N N 122.841 0.300 1 1114 113 113 PRO HA H 4.619 0.030 1 1115 113 113 PRO HB2 H 2.508 0.030 2 1116 113 113 PRO HB3 H 1.797 0.030 2 1117 113 113 PRO HD2 H 3.368 0.030 2 1118 113 113 PRO HD3 H 4.032 0.030 2 1119 113 113 PRO HG2 H 2.065 0.030 1 1120 113 113 PRO HG3 H 2.065 0.030 1 1121 113 113 PRO CA C 61.659 0.300 1 1122 113 113 PRO CB C 31.959 0.300 1 1123 113 113 PRO CD C 50.955 0.300 1 1124 113 113 PRO CG C 27.864 0.300 1 1125 114 114 PRO HA H 4.093 0.030 1 1126 114 114 PRO HB2 H 1.993 0.030 2 1127 114 114 PRO HB3 H 2.390 0.030 2 1128 114 114 PRO HD2 H 3.865 0.030 2 1129 114 114 PRO HD3 H 3.922 0.030 2 1130 114 114 PRO HG2 H 2.154 0.030 2 1131 114 114 PRO HG3 H 2.082 0.030 2 1132 114 114 PRO C C 178.990 0.300 1 1133 114 114 PRO CA C 65.584 0.300 1 1134 114 114 PRO CB C 32.008 0.300 1 1135 114 114 PRO CD C 51.119 0.300 1 1136 114 114 PRO CG C 27.676 0.300 1 1137 115 115 GLU H H 9.775 0.030 1 1138 115 115 GLU HA H 4.170 0.030 1 1139 115 115 GLU HB2 H 1.997 0.030 2 1140 115 115 GLU HB3 H 2.052 0.030 2 1141 115 115 GLU HG2 H 2.181 0.030 2 1142 115 115 GLU HG3 H 2.342 0.030 2 1143 115 115 GLU C C 177.710 0.300 1 1144 115 115 GLU CA C 58.720 0.300 1 1145 115 115 GLU CB C 27.970 0.300 1 1146 115 115 GLU CG C 35.915 0.300 1 1147 115 115 GLU N N 117.089 0.300 1 1148 116 116 LEU H H 7.812 0.030 1 1149 116 116 LEU HA H 4.374 0.030 1 1150 116 116 LEU HB2 H 1.680 0.030 2 1151 116 116 LEU HB3 H 1.385 0.030 2 1152 116 116 LEU HD1 H 0.818 0.030 1 1153 116 116 LEU HD2 H 0.885 0.030 1 1154 116 116 LEU HG H 1.643 0.030 1 1155 116 116 LEU C C 177.531 0.300 1 1156 116 116 LEU CA C 55.163 0.300 1 1157 116 116 LEU CB C 41.352 0.300 1 1158 116 116 LEU CD1 C 25.236 0.300 2 1159 116 116 LEU CD2 C 21.894 0.300 2 1160 116 116 LEU CG C 27.294 0.300 1 1161 116 116 LEU N N 117.152 0.300 1 1162 117 117 LEU H H 7.325 0.030 1 1163 117 117 LEU HA H 4.102 0.030 1 1164 117 117 LEU HB2 H 1.667 0.030 1 1165 117 117 LEU HB3 H 1.667 0.030 1 1166 117 117 LEU HD1 H 0.887 0.030 1 1167 117 117 LEU HD2 H 0.764 0.030 1 1168 117 117 LEU HG H 1.499 0.030 1 1169 117 117 LEU C C 176.930 0.300 1 1170 117 117 LEU CA C 55.850 0.300 1 1171 117 117 LEU CB C 42.898 0.300 1 1172 117 117 LEU CD1 C 25.629 0.300 2 1173 117 117 LEU CD2 C 23.579 0.300 2 1174 117 117 LEU CG C 26.844 0.300 1 1175 117 117 LEU N N 117.753 0.300 1 1176 118 118 VAL H H 7.379 0.030 1 1177 118 118 VAL HA H 4.274 0.030 1 1178 118 118 VAL HB H 2.057 0.030 1 1179 118 118 VAL HG1 H 0.925 0.030 1 1180 118 118 VAL HG2 H 0.925 0.030 1 1181 118 118 VAL C C 173.125 0.300 1 1182 118 118 VAL CA C 59.957 0.300 1 1183 118 118 VAL CB C 32.453 0.300 1 1184 118 118 VAL CG1 C 20.489 0.300 2 1185 118 118 VAL CG2 C 21.207 0.300 2 1186 118 118 VAL N N 118.883 0.300 1 1187 119 119 PRO HA H 4.651 0.030 1 1188 119 119 PRO HB2 H 1.874 0.030 2 1189 119 119 PRO HB3 H 2.307 0.030 2 1190 119 119 PRO HD2 H 3.613 0.030 2 1191 119 119 PRO HD3 H 3.717 0.030 2 1192 119 119 PRO HG2 H 1.932 0.030 2 1193 119 119 PRO HG3 H 2.040 0.030 2 1194 119 119 PRO CA C 61.459 0.300 1 1195 119 119 PRO CB C 30.994 0.300 1 1196 119 119 PRO CD C 50.636 0.300 1 1197 119 119 PRO CG C 27.541 0.300 1 1198 120 120 PRO HA H 4.480 0.030 1 1199 120 120 PRO HB2 H 2.275 0.030 2 1200 120 120 PRO HB3 H 1.893 0.030 2 1201 120 120 PRO HD2 H 3.660 0.030 2 1202 120 120 PRO HD3 H 3.801 0.030 2 1203 120 120 PRO HG2 H 2.017 0.030 1 1204 120 120 PRO HG3 H 2.017 0.030 1 1205 120 120 PRO C C 176.787 0.300 1 1206 120 120 PRO CA C 62.789 0.300 1 1207 120 120 PRO CB C 32.096 0.300 1 1208 120 120 PRO CD C 50.533 0.300 1 1209 120 120 PRO CG C 27.404 0.300 1 1210 121 121 THR H H 8.259 0.030 1 1211 121 121 THR HA H 4.538 0.030 1 1212 121 121 THR HB H 4.100 0.030 1 1213 121 121 THR HG2 H 1.219 0.030 1 1214 121 121 THR C C 172.887 0.300 1 1215 121 121 THR CA C 59.742 0.300 1 1216 121 121 THR CB C 69.885 0.300 1 1217 121 121 THR CG2 C 21.428 0.300 1 1218 121 121 THR N N 117.254 0.300 1 1219 122 122 PRO HA H 4.372 0.030 1 1220 122 122 PRO HB2 H 1.804 0.030 2 1221 122 122 PRO HB3 H 2.239 0.030 2 1222 122 122 PRO HD2 H 3.674 0.030 2 1223 122 122 PRO HD3 H 3.819 0.030 2 1224 122 122 PRO HG2 H 1.870 0.030 2 1225 122 122 PRO HG3 H 1.960 0.030 2 1226 122 122 PRO C C 176.364 0.300 1 1227 122 122 PRO CA C 63.022 0.300 1 1228 122 122 PRO CB C 32.104 0.300 1 1229 122 122 PRO CD C 51.081 0.300 1 1230 122 122 PRO CG C 27.416 0.300 1 1231 123 123 HIS H H 8.390 0.030 1 1232 123 123 HIS HA H 4.855 0.030 1 1233 123 123 HIS HB2 H 3.030 0.030 2 1234 123 123 HIS HB3 H 3.093 0.030 2 1235 123 123 HIS HD2 H 7.091 0.030 1 1236 123 123 HIS HE1 H 7.918 0.030 1 1237 123 123 HIS C C 173.835 0.300 1 1238 123 123 HIS CA C 54.308 0.300 1 1239 123 123 HIS CB C 30.376 0.300 1 1240 123 123 HIS CD2 C 120.439 0.300 1 1241 123 123 HIS CE1 C 138.134 0.300 1 1242 123 123 HIS N N 121.491 0.300 1 1243 124 124 PRO HA H 4.439 0.030 1 1244 124 124 PRO HB2 H 2.284 0.030 2 1245 124 124 PRO HB3 H 1.943 0.030 2 1246 124 124 PRO HD2 H 3.733 0.030 2 1247 124 124 PRO HD3 H 3.385 0.030 2 1248 124 124 PRO HG2 H 1.969 0.030 1 1249 124 124 PRO HG3 H 1.969 0.030 1 1250 124 124 PRO C C 177.028 0.300 1 1251 124 124 PRO CA C 63.537 0.300 1 1252 124 124 PRO CB C 32.097 0.300 1 1253 124 124 PRO CD C 50.701 0.300 1 1254 124 124 PRO CG C 27.351 0.300 1 1255 125 125 SER H H 8.634 0.030 1 1256 125 125 SER HA H 4.525 0.030 1 1257 125 125 SER HB2 H 3.924 0.030 1 1258 125 125 SER HB3 H 3.924 0.030 1 1259 125 125 SER C C 174.648 0.300 1 1260 125 125 SER CA C 58.379 0.300 1 1261 125 125 SER CB C 64.106 0.300 1 1262 125 125 SER N N 116.535 0.300 1 1263 126 126 GLY H H 8.227 0.030 1 1264 126 126 GLY HA2 H 4.114 0.030 2 1265 126 126 GLY HA3 H 4.167 0.030 2 1266 126 126 GLY C C 174.647 0.300 1 1267 126 126 GLY CA C 44.696 0.300 1 1268 126 126 GLY N N 110.609 0.300 1 stop_ save_