data_11145 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the CH domain from human EH domain binding protein 1 ; _BMRB_accession_number 11145 _BMRB_flat_file_name bmr11145.str _Entry_type original _Submission_date 2010-03-31 _Accession_date 2010-03-31 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tomizawa T. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 681 "13C chemical shifts" 520 "15N chemical shifts" 114 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-04-01 original author . stop_ _Original_release_date 2011-04-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the CH domain from human EH domain binding protein 1' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tomizawa T. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'EHBP1 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CH 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 'CH domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; GSSGSSGPNASQSLLVWCKE VTKNYRGVKITNFTTSWRNG LSFCAILHHFRPDLIDYKSL NPQDIKENNKKAYDGFASIG ISRLLEPSDMVLLAIPDKLT VMTYLYQIRAHFSSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 ASN 10 ALA 11 SER 12 GLN 13 SER 14 LEU 15 LEU 16 VAL 17 TRP 18 CYS 19 LYS 20 GLU 21 VAL 22 THR 23 LYS 24 ASN 25 TYR 26 ARG 27 GLY 28 VAL 29 LYS 30 ILE 31 THR 32 ASN 33 PHE 34 THR 35 THR 36 SER 37 TRP 38 ARG 39 ASN 40 GLY 41 LEU 42 SER 43 PHE 44 CYS 45 ALA 46 ILE 47 LEU 48 HIS 49 HIS 50 PHE 51 ARG 52 PRO 53 ASP 54 LEU 55 ILE 56 ASP 57 TYR 58 LYS 59 SER 60 LEU 61 ASN 62 PRO 63 GLN 64 ASP 65 ILE 66 LYS 67 GLU 68 ASN 69 ASN 70 LYS 71 LYS 72 ALA 73 TYR 74 ASP 75 GLY 76 PHE 77 ALA 78 SER 79 ILE 80 GLY 81 ILE 82 SER 83 ARG 84 LEU 85 LEU 86 GLU 87 PRO 88 SER 89 ASP 90 MET 91 VAL 92 LEU 93 LEU 94 ALA 95 ILE 96 PRO 97 ASP 98 LYS 99 LEU 100 THR 101 VAL 102 MET 103 THR 104 TYR 105 LEU 106 TYR 107 GLN 108 ILE 109 ARG 110 ALA 111 HIS 112 PHE 113 SER 114 SER 115 GLY 116 PRO 117 SER 118 SER 119 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 2D89 "Solution Structure Of The Ch Domain From Human Eh Domain Binding Protein 1" 100.00 119 100.00 100.00 5.11e-82 DBJ BAA74926 "KIAA0903 protein [Homo sapiens]" 89.08 962 100.00 100.00 1.21e-66 DBJ BAD32333 "mKIAA0903 protein [Mus musculus]" 89.08 1242 98.11 99.06 3.82e-65 DBJ BAF85234 "unnamed protein product [Homo sapiens]" 89.08 1160 100.00 100.00 3.50e-66 EMBL CAD38814 "hypothetical protein [Homo sapiens]" 89.08 1231 100.00 100.00 4.91e-66 GB AAH67215 "EHBP1 protein [Homo sapiens]" 89.08 1160 100.00 100.00 3.50e-66 GB AAI68392 "EH domain binding protein 1 [synthetic construct]" 89.08 1206 98.11 99.06 1.94e-65 GB AAL24806 "KIAA0903-like protein [Mus musculus]" 89.08 1206 98.11 99.06 1.94e-65 GB AAQ97141 "NPF/calponin-like protein [Homo sapiens]" 89.08 1231 100.00 100.00 4.91e-66 GB AAS48537 "EH domain binding protein 1 [Homo sapiens]" 89.08 1196 100.00 100.00 3.64e-66 REF NP_001136086 "EH domain-binding protein 1 isoform 2 [Homo sapiens]" 89.08 1196 100.00 100.00 3.64e-66 REF NP_001136087 "EH domain-binding protein 1 isoform 3 [Homo sapiens]" 89.08 1160 100.00 100.00 3.50e-66 REF NP_001136088 "EH domain-binding protein 1 isoform 3 [Homo sapiens]" 89.08 1160 100.00 100.00 3.50e-66 REF NP_001239444 "EH domain-binding protein 1 isoform 1 [Mus musculus]" 89.08 1231 98.11 99.06 3.32e-65 REF NP_001248495 "EH domain-binding protein 1 [Macaca mulatta]" 89.08 1231 100.00 100.00 5.01e-66 SP Q69ZW3 "RecName: Full=EH domain-binding protein 1" 89.08 1231 98.11 99.06 3.32e-65 SP Q8NDI1 "RecName: Full=EH domain-binding protein 1" 89.08 1231 100.00 100.00 4.91e-66 TPG DAA24644 "TPA: MICAL-like isoform 1 [Bos taurus]" 89.08 1232 100.00 100.00 3.59e-66 TPG DAA24645 "TPA: MICAL-like isoform 2 [Bos taurus]" 89.08 1197 100.00 100.00 2.31e-66 TPG DAA24646 "TPA: MICAL-like isoform 3 [Bos taurus]" 89.08 1161 100.00 100.00 1.99e-66 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 . P050725-07 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.85mM CH domain U-15N, {13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.85 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 0.932 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 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 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 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 'CH 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 1 1 GLY HA2 H 3.764 0.030 1 2 1 1 GLY HA3 H 3.764 0.030 1 3 1 1 GLY CA C 41.485 0.300 1 4 8 8 PRO HA H 4.417 0.030 1 5 8 8 PRO HB2 H 2.163 0.030 2 6 8 8 PRO HB3 H 1.867 0.030 2 7 8 8 PRO HD2 H 3.500 0.030 2 8 8 8 PRO HD3 H 3.574 0.030 2 9 8 8 PRO HG2 H 1.938 0.030 1 10 8 8 PRO HG3 H 1.938 0.030 1 11 8 8 PRO CA C 61.150 0.300 1 12 8 8 PRO CB C 29.712 0.300 1 13 8 8 PRO CD C 47.393 0.300 1 14 8 8 PRO CG C 24.906 0.300 1 15 9 9 ASN HA H 4.651 0.030 1 16 9 9 ASN HB2 H 2.810 0.030 1 17 9 9 ASN HB3 H 2.810 0.030 1 18 9 9 ASN HD21 H 6.909 0.030 2 19 9 9 ASN HD22 H 7.577 0.030 2 20 9 9 ASN CA C 51.097 0.300 1 21 9 9 ASN CB C 36.549 0.300 1 22 9 9 ASN ND2 N 113.050 0.300 1 23 10 10 ALA HA H 4.194 0.030 1 24 10 10 ALA HB H 1.377 0.030 1 25 10 10 ALA CA C 52.024 0.300 1 26 10 10 ALA CB C 16.489 0.300 1 27 11 11 SER HA H 4.189 0.030 1 28 11 11 SER HB2 H 3.907 0.030 1 29 11 11 SER HB3 H 3.907 0.030 1 30 11 11 SER C C 173.414 0.300 1 31 11 11 SER CA C 58.102 0.300 1 32 11 11 SER CB C 60.896 0.300 1 33 12 12 GLN H H 8.031 0.030 1 34 12 12 GLN HA H 4.237 0.030 1 35 12 12 GLN HB2 H 2.109 0.030 1 36 12 12 GLN HB3 H 2.109 0.030 1 37 12 12 GLN HE21 H 6.742 0.030 2 38 12 12 GLN HE22 H 7.368 0.030 2 39 12 12 GLN HG2 H 2.417 0.030 1 40 12 12 GLN HG3 H 2.417 0.030 1 41 12 12 GLN C C 175.407 0.300 1 42 12 12 GLN CA C 55.371 0.300 1 43 12 12 GLN CB C 26.418 0.300 1 44 12 12 GLN CG C 31.478 0.300 1 45 12 12 GLN N N 121.891 0.300 1 46 12 12 GLN NE2 N 110.863 0.300 1 47 13 13 SER HA H 4.316 0.030 1 48 13 13 SER HB2 H 4.153 0.030 2 49 13 13 SER HB3 H 3.993 0.030 2 50 13 13 SER C C 174.038 0.300 1 51 13 13 SER CA C 57.705 0.300 1 52 13 13 SER CB C 60.947 0.300 1 53 14 14 LEU H H 8.247 0.030 1 54 14 14 LEU HA H 4.251 0.030 1 55 14 14 LEU HB2 H 1.406 0.030 2 56 14 14 LEU HB3 H 1.946 0.030 2 57 14 14 LEU HD1 H 0.557 0.030 1 58 14 14 LEU HD2 H -0.096 0.030 1 59 14 14 LEU HG H 1.502 0.030 1 60 14 14 LEU C C 176.359 0.300 1 61 14 14 LEU CA C 55.863 0.300 1 62 14 14 LEU CB C 39.287 0.300 1 63 14 14 LEU CD1 C 19.934 0.300 2 64 14 14 LEU CD2 C 22.401 0.300 2 65 14 14 LEU CG C 24.487 0.300 1 66 14 14 LEU N N 123.421 0.300 1 67 15 15 LEU H H 8.597 0.030 1 68 15 15 LEU HA H 3.983 0.030 1 69 15 15 LEU HB2 H 1.850 0.030 2 70 15 15 LEU HB3 H 1.652 0.030 2 71 15 15 LEU HD1 H 0.184 0.030 1 72 15 15 LEU HD2 H 0.582 0.030 1 73 15 15 LEU HG H 1.303 0.030 1 74 15 15 LEU C C 176.287 0.300 1 75 15 15 LEU CA C 56.617 0.300 1 76 15 15 LEU CB C 39.143 0.300 1 77 15 15 LEU CD1 C 20.504 0.300 2 78 15 15 LEU CD2 C 23.056 0.300 2 79 15 15 LEU CG C 24.587 0.300 1 80 15 15 LEU N N 121.664 0.300 1 81 16 16 VAL H H 7.874 0.030 1 82 16 16 VAL HA H 3.427 0.030 1 83 16 16 VAL HB H 2.151 0.030 1 84 16 16 VAL HG1 H 0.961 0.030 1 85 16 16 VAL HG2 H 1.052 0.030 1 86 16 16 VAL C C 175.864 0.300 1 87 16 16 VAL CA C 64.857 0.300 1 88 16 16 VAL CB C 29.465 0.300 1 89 16 16 VAL CG1 C 18.986 0.300 2 90 16 16 VAL CG2 C 21.057 0.300 2 91 16 16 VAL N N 117.720 0.300 1 92 17 17 TRP H H 8.205 0.030 1 93 17 17 TRP HA H 4.160 0.030 1 94 17 17 TRP HB2 H 3.650 0.030 2 95 17 17 TRP HB3 H 3.348 0.030 2 96 17 17 TRP HD1 H 7.394 0.030 1 97 17 17 TRP HE1 H 10.417 0.030 1 98 17 17 TRP HE3 H 7.923 0.030 1 99 17 17 TRP HH2 H 7.027 0.030 1 100 17 17 TRP HZ2 H 7.497 0.030 1 101 17 17 TRP HZ3 H 6.932 0.030 1 102 17 17 TRP C C 175.246 0.300 1 103 17 17 TRP CA C 60.561 0.300 1 104 17 17 TRP CB C 26.094 0.300 1 105 17 17 TRP CD1 C 125.499 0.300 1 106 17 17 TRP CE3 C 119.731 0.300 1 107 17 17 TRP CH2 C 120.730 0.300 1 108 17 17 TRP CZ2 C 111.707 0.300 1 109 17 17 TRP CZ3 C 118.673 0.300 1 110 17 17 TRP N N 121.263 0.300 1 111 17 17 TRP NE1 N 130.123 0.300 1 112 18 18 CYS H H 8.675 0.030 1 113 18 18 CYS HA H 3.671 0.030 1 114 18 18 CYS HB2 H 2.758 0.030 2 115 18 18 CYS HB3 H 3.556 0.030 2 116 18 18 CYS C C 175.500 0.300 1 117 18 18 CYS CA C 62.019 0.300 1 118 18 18 CYS CB C 25.318 0.300 1 119 18 18 CYS N N 114.498 0.300 1 120 19 19 LYS H H 8.219 0.030 1 121 19 19 LYS HA H 3.506 0.030 1 122 19 19 LYS HB2 H 1.737 0.030 2 123 19 19 LYS HB3 H 1.791 0.030 2 124 19 19 LYS HD2 H 1.516 0.030 1 125 19 19 LYS HD3 H 1.516 0.030 1 126 19 19 LYS HE2 H 2.758 0.030 2 127 19 19 LYS HE3 H 2.842 0.030 2 128 19 19 LYS HG2 H 1.265 0.030 2 129 19 19 LYS HG3 H 1.533 0.030 2 130 19 19 LYS C C 175.420 0.300 1 131 19 19 LYS CA C 57.604 0.300 1 132 19 19 LYS CB C 30.187 0.300 1 133 19 19 LYS CD C 27.391 0.300 1 134 19 19 LYS CE C 39.285 0.300 1 135 19 19 LYS CG C 23.713 0.300 1 136 19 19 LYS N N 119.548 0.300 1 137 20 20 GLU H H 8.126 0.030 1 138 20 20 GLU HA H 3.845 0.030 1 139 20 20 GLU HB2 H 1.843 0.030 2 140 20 20 GLU HB3 H 2.005 0.030 2 141 20 20 GLU HG2 H 2.130 0.030 1 142 20 20 GLU HG3 H 2.130 0.030 1 143 20 20 GLU C C 177.391 0.300 1 144 20 20 GLU CA C 56.871 0.300 1 145 20 20 GLU CB C 27.107 0.300 1 146 20 20 GLU CG C 33.680 0.300 1 147 20 20 GLU N N 119.462 0.300 1 148 21 21 VAL H H 7.767 0.030 1 149 21 21 VAL HA H 2.947 0.030 1 150 21 21 VAL HB H 1.124 0.030 1 151 21 21 VAL HG1 H -0.121 0.030 1 152 21 21 VAL HG2 H 0.131 0.030 1 153 21 21 VAL C C 173.469 0.300 1 154 21 21 VAL CA C 62.338 0.300 1 155 21 21 VAL CB C 28.534 0.300 1 156 21 21 VAL CG1 C 17.367 0.300 2 157 21 21 VAL CG2 C 19.129 0.300 2 158 21 21 VAL N N 113.379 0.300 1 159 22 22 THR H H 6.545 0.030 1 160 22 22 THR HA H 4.058 0.030 1 161 22 22 THR HB H 4.188 0.030 1 162 22 22 THR HG2 H 0.828 0.030 1 163 22 22 THR C C 172.536 0.300 1 164 22 22 THR CA C 58.910 0.300 1 165 22 22 THR CB C 66.993 0.300 1 166 22 22 THR CG2 C 19.736 0.300 1 167 22 22 THR N N 102.933 0.300 1 168 23 23 LYS H H 6.702 0.030 1 169 23 23 LYS HA H 3.903 0.030 1 170 23 23 LYS HB2 H 1.786 0.030 2 171 23 23 LYS HB3 H 1.669 0.030 2 172 23 23 LYS HD2 H 1.563 0.030 1 173 23 23 LYS HD3 H 1.563 0.030 1 174 23 23 LYS HE2 H 2.851 0.030 1 175 23 23 LYS HE3 H 2.851 0.030 1 176 23 23 LYS HG2 H 1.241 0.030 2 177 23 23 LYS HG3 H 1.327 0.030 2 178 23 23 LYS C C 174.702 0.300 1 179 23 23 LYS CA C 56.344 0.300 1 180 23 23 LYS CB C 30.037 0.300 1 181 23 23 LYS CD C 27.170 0.300 1 182 23 23 LYS CE C 39.675 0.300 1 183 23 23 LYS CG C 21.503 0.300 1 184 23 23 LYS N N 123.366 0.300 1 185 24 24 ASN H H 8.646 0.030 1 186 24 24 ASN HA H 4.338 0.030 1 187 24 24 ASN HB2 H 2.726 0.030 2 188 24 24 ASN HB3 H 2.652 0.030 2 189 24 24 ASN HD21 H 7.418 0.030 2 190 24 24 ASN HD22 H 6.821 0.030 2 191 24 24 ASN C C 172.471 0.300 1 192 24 24 ASN CA C 51.848 0.300 1 193 24 24 ASN CB C 35.174 0.300 1 194 24 24 ASN N N 115.242 0.300 1 195 24 24 ASN ND2 N 113.033 0.300 1 196 25 25 TYR H H 7.709 0.030 1 197 25 25 TYR HA H 3.915 0.030 1 198 25 25 TYR HB2 H 2.213 0.030 2 199 25 25 TYR HB3 H 2.653 0.030 2 200 25 25 TYR HD1 H 5.866 0.030 1 201 25 25 TYR HD2 H 5.866 0.030 1 202 25 25 TYR HE1 H 6.385 0.030 1 203 25 25 TYR HE2 H 6.385 0.030 1 204 25 25 TYR C C 174.181 0.300 1 205 25 25 TYR CA C 56.802 0.300 1 206 25 25 TYR CB C 35.185 0.300 1 207 25 25 TYR CD1 C 130.004 0.300 1 208 25 25 TYR CD2 C 130.004 0.300 1 209 25 25 TYR CE1 C 115.061 0.300 1 210 25 25 TYR CE2 C 115.061 0.300 1 211 25 25 TYR N N 119.661 0.300 1 212 26 26 ARG H H 8.694 0.030 1 213 26 26 ARG HA H 4.016 0.030 1 214 26 26 ARG HB2 H 1.819 0.030 1 215 26 26 ARG HB3 H 1.819 0.030 1 216 26 26 ARG HD2 H 3.148 0.030 1 217 26 26 ARG HD3 H 3.148 0.030 1 218 26 26 ARG HG2 H 1.490 0.030 2 219 26 26 ARG HG3 H 1.644 0.030 2 220 26 26 ARG C C 175.595 0.300 1 221 26 26 ARG CA C 55.353 0.300 1 222 26 26 ARG CB C 27.854 0.300 1 223 26 26 ARG CD C 41.023 0.300 1 224 26 26 ARG CG C 24.498 0.300 1 225 26 26 ARG N N 125.871 0.300 1 226 27 27 GLY HA2 H 3.585 0.030 2 227 27 27 GLY HA3 H 3.989 0.030 2 228 27 27 GLY C C 170.944 0.300 1 229 27 27 GLY CA C 42.814 0.300 1 230 28 28 VAL H H 7.147 0.030 1 231 28 28 VAL HA H 3.825 0.030 1 232 28 28 VAL HB H 1.812 0.030 1 233 28 28 VAL HG1 H 0.593 0.030 1 234 28 28 VAL HG2 H 0.578 0.030 1 235 28 28 VAL C C 173.041 0.300 1 236 28 28 VAL CA C 60.119 0.300 1 237 28 28 VAL CB C 30.100 0.300 1 238 28 28 VAL CG1 C 18.902 0.300 2 239 28 28 VAL CG2 C 20.300 0.300 2 240 28 28 VAL N N 119.992 0.300 1 241 29 29 LYS H H 8.333 0.030 1 242 29 29 LYS HA H 4.219 0.030 1 243 29 29 LYS HB2 H 1.460 0.030 2 244 29 29 LYS HB3 H 1.548 0.030 2 245 29 29 LYS HD2 H 1.492 0.030 1 246 29 29 LYS HD3 H 1.492 0.030 1 247 29 29 LYS HE2 H 2.769 0.030 1 248 29 29 LYS HE3 H 2.769 0.030 1 249 29 29 LYS HG2 H 1.000 0.030 2 250 29 29 LYS HG3 H 1.118 0.030 2 251 29 29 LYS C C 172.150 0.300 1 252 29 29 LYS CA C 53.541 0.300 1 253 29 29 LYS CB C 31.389 0.300 1 254 29 29 LYS CD C 26.778 0.300 1 255 29 29 LYS CE C 39.669 0.300 1 256 29 29 LYS CG C 22.277 0.300 1 257 29 29 LYS N N 129.878 0.300 1 258 30 30 ILE H H 9.056 0.030 1 259 30 30 ILE HA H 3.655 0.030 1 260 30 30 ILE HB H 1.475 0.030 1 261 30 30 ILE HD1 H 0.177 0.030 1 262 30 30 ILE HG12 H 0.195 0.030 2 263 30 30 ILE HG13 H 0.914 0.030 2 264 30 30 ILE HG2 H 0.643 0.030 1 265 30 30 ILE C C 173.136 0.300 1 266 30 30 ILE CA C 58.701 0.300 1 267 30 30 ILE CB C 35.574 0.300 1 268 30 30 ILE CD1 C 11.799 0.300 1 269 30 30 ILE CG1 C 24.653 0.300 1 270 30 30 ILE CG2 C 16.248 0.300 1 271 30 30 ILE N N 127.279 0.300 1 272 31 31 THR H H 8.098 0.030 1 273 31 31 THR HA H 4.346 0.030 1 274 31 31 THR HB H 4.231 0.030 1 275 31 31 THR HG2 H 0.878 0.030 1 276 31 31 THR C C 171.189 0.300 1 277 31 31 THR CA C 58.081 0.300 1 278 31 31 THR CB C 67.675 0.300 1 279 31 31 THR CG2 C 19.174 0.300 1 280 31 31 THR N N 115.187 0.300 1 281 32 32 ASN H H 7.579 0.030 1 282 32 32 ASN HA H 4.398 0.030 1 283 32 32 ASN HB2 H 3.327 0.030 2 284 32 32 ASN HB3 H 3.254 0.030 2 285 32 32 ASN HD21 H 7.746 0.030 2 286 32 32 ASN HD22 H 7.196 0.030 2 287 32 32 ASN C C 171.601 0.300 1 288 32 32 ASN CA C 49.433 0.300 1 289 32 32 ASN CB C 36.856 0.300 1 290 32 32 ASN N N 116.883 0.300 1 291 32 32 ASN ND2 N 117.355 0.300 1 292 33 33 PHE H H 9.220 0.030 1 293 33 33 PHE HA H 5.077 0.030 1 294 33 33 PHE HB2 H 3.557 0.030 2 295 33 33 PHE HB3 H 2.596 0.030 2 296 33 33 PHE HD1 H 6.934 0.030 1 297 33 33 PHE HD2 H 6.934 0.030 1 298 33 33 PHE HE1 H 7.206 0.030 1 299 33 33 PHE HE2 H 7.206 0.030 1 300 33 33 PHE HZ H 6.979 0.030 1 301 33 33 PHE C C 170.466 0.300 1 302 33 33 PHE CA C 56.773 0.300 1 303 33 33 PHE CB C 36.912 0.300 1 304 33 33 PHE CD1 C 129.283 0.300 1 305 33 33 PHE CD2 C 129.283 0.300 1 306 33 33 PHE CE1 C 128.738 0.300 1 307 33 33 PHE CE2 C 128.738 0.300 1 308 33 33 PHE CZ C 126.640 0.300 1 309 33 33 PHE N N 116.057 0.300 1 310 34 34 THR H H 8.148 0.030 1 311 34 34 THR HA H 4.538 0.030 1 312 34 34 THR HB H 4.286 0.030 1 313 34 34 THR HG2 H 1.159 0.030 1 314 34 34 THR C C 174.847 0.300 1 315 34 34 THR CA C 57.164 0.300 1 316 34 34 THR CB C 67.642 0.300 1 317 34 34 THR CG2 C 20.321 0.300 1 318 34 34 THR N N 104.047 0.300 1 319 35 35 THR H H 9.650 0.030 1 320 35 35 THR HA H 3.774 0.030 1 321 35 35 THR HB H 4.505 0.030 1 322 35 35 THR HG2 H 1.486 0.030 1 323 35 35 THR C C 174.992 0.300 1 324 35 35 THR CA C 63.443 0.300 1 325 35 35 THR CB C 65.802 0.300 1 326 35 35 THR CG2 C 20.892 0.300 1 327 35 35 THR N N 116.675 0.300 1 328 36 36 SER H H 9.319 0.030 1 329 36 36 SER HA H 4.294 0.030 1 330 36 36 SER HB2 H 3.563 0.030 1 331 36 36 SER HB3 H 3.563 0.030 1 332 36 36 SER C C 171.257 0.300 1 333 36 36 SER CA C 59.251 0.300 1 334 36 36 SER CB C 61.278 0.300 1 335 36 36 SER N N 118.459 0.300 1 336 37 37 TRP H H 7.979 0.030 1 337 37 37 TRP HA H 4.095 0.030 1 338 37 37 TRP HB2 H 3.350 0.030 2 339 37 37 TRP HB3 H 2.745 0.030 2 340 37 37 TRP HD1 H 6.840 0.030 1 341 37 37 TRP HE1 H 10.155 0.030 1 342 37 37 TRP HE3 H 5.695 0.030 1 343 37 37 TRP HH2 H 6.777 0.030 1 344 37 37 TRP HZ2 H 7.063 0.030 1 345 37 37 TRP HZ3 H 6.206 0.030 1 346 37 37 TRP C C 173.885 0.300 1 347 37 37 TRP CA C 54.440 0.300 1 348 37 37 TRP CB C 27.222 0.300 1 349 37 37 TRP CD1 C 124.623 0.300 1 350 37 37 TRP CE3 C 119.031 0.300 1 351 37 37 TRP CH2 C 121.470 0.300 1 352 37 37 TRP CZ2 C 112.070 0.300 1 353 37 37 TRP CZ3 C 119.645 0.300 1 354 37 37 TRP N N 119.905 0.300 1 355 37 37 TRP NE1 N 127.786 0.300 1 356 38 38 ARG H H 7.034 0.030 1 357 38 38 ARG HA H 4.390 0.030 1 358 38 38 ARG HB2 H 1.947 0.030 2 359 38 38 ARG HB3 H 1.628 0.030 2 360 38 38 ARG HD2 H 3.278 0.030 1 361 38 38 ARG HD3 H 3.278 0.030 1 362 38 38 ARG HE H 7.387 0.030 1 363 38 38 ARG HG2 H 1.511 0.030 2 364 38 38 ARG HG3 H 1.956 0.030 2 365 38 38 ARG C C 174.682 0.300 1 366 38 38 ARG CA C 57.694 0.300 1 367 38 38 ARG CB C 29.203 0.300 1 368 38 38 ARG CD C 41.909 0.300 1 369 38 38 ARG CG C 25.741 0.300 1 370 38 38 ARG N N 119.520 0.300 1 371 38 38 ARG NE N 86.571 0.300 1 372 39 39 ASN H H 8.660 0.030 1 373 39 39 ASN HA H 4.351 0.030 1 374 39 39 ASN HB2 H 2.758 0.030 2 375 39 39 ASN HB3 H 3.695 0.030 2 376 39 39 ASN HD21 H 7.521 0.030 2 377 39 39 ASN HD22 H 7.222 0.030 2 378 39 39 ASN C C 172.693 0.300 1 379 39 39 ASN CA C 51.471 0.300 1 380 39 39 ASN CB C 34.727 0.300 1 381 39 39 ASN N N 110.696 0.300 1 382 39 39 ASN ND2 N 111.937 0.300 1 383 40 40 GLY H H 7.393 0.030 1 384 40 40 GLY HA2 H 4.044 0.030 1 385 40 40 GLY HA3 H 4.044 0.030 1 386 40 40 GLY C C 172.663 0.300 1 387 40 40 GLY CA C 44.551 0.300 1 388 40 40 GLY N N 104.429 0.300 1 389 41 41 LEU H H 7.882 0.030 1 390 41 41 LEU HA H 3.774 0.030 1 391 41 41 LEU HB2 H 1.606 0.030 1 392 41 41 LEU HB3 H 1.606 0.030 1 393 41 41 LEU HD1 H 0.673 0.030 1 394 41 41 LEU HD2 H 0.387 0.030 1 395 41 41 LEU HG H 1.288 0.030 1 396 41 41 LEU C C 176.341 0.300 1 397 41 41 LEU CA C 56.520 0.300 1 398 41 41 LEU CB C 37.982 0.300 1 399 41 41 LEU CD1 C 23.478 0.300 2 400 41 41 LEU CD2 C 20.967 0.300 2 401 41 41 LEU CG C 24.637 0.300 1 402 41 41 LEU N N 120.658 0.300 1 403 42 42 SER H H 8.284 0.030 1 404 42 42 SER HA H 3.785 0.030 1 405 42 42 SER HB2 H 2.947 0.030 2 406 42 42 SER HB3 H 2.524 0.030 2 407 42 42 SER C C 174.041 0.300 1 408 42 42 SER CA C 60.080 0.300 1 409 42 42 SER CB C 60.704 0.300 1 410 42 42 SER N N 113.568 0.300 1 411 43 43 PHE H H 8.476 0.030 1 412 43 43 PHE HA H 4.721 0.030 1 413 43 43 PHE HB2 H 3.255 0.030 2 414 43 43 PHE HB3 H 3.555 0.030 2 415 43 43 PHE HD1 H 7.732 0.030 1 416 43 43 PHE HD2 H 7.732 0.030 1 417 43 43 PHE HE1 H 7.474 0.030 1 418 43 43 PHE HE2 H 7.474 0.030 1 419 43 43 PHE HZ H 7.183 0.030 1 420 43 43 PHE C C 175.971 0.300 1 421 43 43 PHE CA C 60.101 0.300 1 422 43 43 PHE CB C 37.951 0.300 1 423 43 43 PHE CD1 C 129.586 0.300 1 424 43 43 PHE CD2 C 129.586 0.300 1 425 43 43 PHE CE1 C 130.472 0.300 1 426 43 43 PHE CE2 C 130.472 0.300 1 427 43 43 PHE CZ C 127.781 0.300 1 428 43 43 PHE N N 117.837 0.300 1 429 44 44 CYS H H 8.268 0.030 1 430 44 44 CYS HA H 3.937 0.030 1 431 44 44 CYS HB2 H 3.164 0.030 2 432 44 44 CYS HB3 H 2.322 0.030 2 433 44 44 CYS C C 173.681 0.300 1 434 44 44 CYS CA C 62.916 0.300 1 435 44 44 CYS CB C 25.803 0.300 1 436 44 44 CYS N N 115.874 0.300 1 437 45 45 ALA H H 8.822 0.030 1 438 45 45 ALA HA H 3.103 0.030 1 439 45 45 ALA HB H 0.559 0.030 1 440 45 45 ALA C C 175.553 0.300 1 441 45 45 ALA CA C 52.562 0.300 1 442 45 45 ALA CB C 16.114 0.300 1 443 45 45 ALA N N 123.421 0.300 1 444 46 46 ILE H H 7.385 0.030 1 445 46 46 ILE HA H 3.202 0.030 1 446 46 46 ILE HB H 2.375 0.030 1 447 46 46 ILE HD1 H 1.227 0.030 1 448 46 46 ILE HG12 H 2.087 0.030 2 449 46 46 ILE HG13 H 0.695 0.030 2 450 46 46 ILE HG2 H 1.280 0.030 1 451 46 46 ILE C C 175.045 0.300 1 452 46 46 ILE CA C 63.896 0.300 1 453 46 46 ILE CB C 35.961 0.300 1 454 46 46 ILE CD1 C 12.410 0.300 1 455 46 46 ILE CG1 C 26.493 0.300 1 456 46 46 ILE CG2 C 15.670 0.300 1 457 46 46 ILE N N 115.949 0.300 1 458 47 47 LEU H H 7.701 0.030 1 459 47 47 LEU HA H 3.988 0.030 1 460 47 47 LEU HB2 H 1.825 0.030 2 461 47 47 LEU HB3 H 1.069 0.030 2 462 47 47 LEU HD1 H 0.564 0.030 1 463 47 47 LEU HD2 H 0.658 0.030 1 464 47 47 LEU HG H 1.402 0.030 1 465 47 47 LEU C C 174.602 0.300 1 466 47 47 LEU CA C 56.084 0.300 1 467 47 47 LEU CB C 38.180 0.300 1 468 47 47 LEU CD1 C 19.784 0.300 2 469 47 47 LEU CD2 C 25.389 0.300 2 470 47 47 LEU CG C 23.901 0.300 1 471 47 47 LEU N N 116.434 0.300 1 472 48 48 HIS H H 8.597 0.030 1 473 48 48 HIS HA H 3.555 0.030 1 474 48 48 HIS HB2 H 2.977 0.030 2 475 48 48 HIS HB3 H 3.042 0.030 2 476 48 48 HIS HD2 H 8.025 0.030 1 477 48 48 HIS HE1 H 7.670 0.030 1 478 48 48 HIS C C 173.544 0.300 1 479 48 48 HIS CA C 59.059 0.300 1 480 48 48 HIS CB C 28.679 0.300 1 481 48 48 HIS CD2 C 115.859 0.300 1 482 48 48 HIS CE1 C 136.225 0.300 1 483 48 48 HIS N N 117.155 0.300 1 484 49 49 HIS H H 8.348 0.030 1 485 49 49 HIS HA H 3.948 0.030 1 486 49 49 HIS HB2 H 3.047 0.030 2 487 49 49 HIS HB3 H 2.777 0.030 2 488 49 49 HIS HD2 H 4.505 0.030 1 489 49 49 HIS HE1 H 7.678 0.030 1 490 49 49 HIS C C 174.415 0.300 1 491 49 49 HIS CA C 57.082 0.300 1 492 49 49 HIS CB C 25.938 0.300 1 493 49 49 HIS CD2 C 118.448 0.300 1 494 49 49 HIS CE1 C 134.984 0.300 1 495 49 49 HIS N N 116.693 0.300 1 496 50 50 PHE H H 7.016 0.030 1 497 50 50 PHE HA H 4.140 0.030 1 498 50 50 PHE HB2 H 2.851 0.030 2 499 50 50 PHE HB3 H 2.056 0.030 2 500 50 50 PHE HD1 H 7.147 0.030 1 501 50 50 PHE HD2 H 7.147 0.030 1 502 50 50 PHE HE1 H 7.280 0.030 1 503 50 50 PHE HE2 H 7.280 0.030 1 504 50 50 PHE HZ H 7.488 0.030 1 505 50 50 PHE C C 174.538 0.300 1 506 50 50 PHE CA C 58.196 0.300 1 507 50 50 PHE CB C 39.985 0.300 1 508 50 50 PHE CD1 C 130.422 0.300 1 509 50 50 PHE CD2 C 130.422 0.300 1 510 50 50 PHE CE1 C 128.567 0.300 1 511 50 50 PHE CE2 C 128.567 0.300 1 512 50 50 PHE CZ C 127.201 0.300 1 513 50 50 PHE N N 112.195 0.300 1 514 51 51 ARG H H 9.127 0.030 1 515 51 51 ARG HA H 4.847 0.030 1 516 51 51 ARG HB2 H 1.867 0.030 1 517 51 51 ARG HB3 H 1.867 0.030 1 518 51 51 ARG HD2 H 3.505 0.030 2 519 51 51 ARG HD3 H 3.575 0.030 2 520 51 51 ARG HE H 8.890 0.030 1 521 51 51 ARG HG2 H 1.472 0.030 2 522 51 51 ARG HG3 H 1.724 0.030 2 523 51 51 ARG C C 169.914 0.300 1 524 51 51 ARG CA C 48.236 0.300 1 525 51 51 ARG CB C 27.194 0.300 1 526 51 51 ARG CD C 37.487 0.300 1 527 51 51 ARG CG C 23.192 0.300 1 528 51 51 ARG N N 119.701 0.300 1 529 51 51 ARG NE N 81.587 0.300 1 530 52 52 PRO HA H 4.217 0.030 1 531 52 52 PRO HB2 H 1.783 0.030 2 532 52 52 PRO HB3 H 1.485 0.030 2 533 52 52 PRO HD2 H 3.179 0.030 2 534 52 52 PRO HD3 H 3.620 0.030 2 535 52 52 PRO HG2 H 1.791 0.030 1 536 52 52 PRO HG3 H 1.791 0.030 1 537 52 52 PRO C C 174.102 0.300 1 538 52 52 PRO CA C 62.603 0.300 1 539 52 52 PRO CB C 28.337 0.300 1 540 52 52 PRO CD C 47.437 0.300 1 541 52 52 PRO CG C 24.526 0.300 1 542 53 53 ASP H H 8.996 0.030 1 543 53 53 ASP HA H 4.296 0.030 1 544 53 53 ASP HB2 H 2.569 0.030 1 545 53 53 ASP HB3 H 2.569 0.030 1 546 53 53 ASP C C 174.697 0.300 1 547 53 53 ASP CA C 52.183 0.300 1 548 53 53 ASP CB C 37.124 0.300 1 549 53 53 ASP N N 113.336 0.300 1 550 54 54 LEU H H 7.971 0.030 1 551 54 54 LEU HA H 4.378 0.030 1 552 54 54 LEU HB2 H 1.419 0.030 2 553 54 54 LEU HB3 H 1.801 0.030 2 554 54 54 LEU HD1 H 0.741 0.030 1 555 54 54 LEU HD2 H 0.744 0.030 1 556 54 54 LEU HG H 1.560 0.030 1 557 54 54 LEU C C 174.011 0.300 1 558 54 54 LEU CA C 52.546 0.300 1 559 54 54 LEU CB C 40.511 0.300 1 560 54 54 LEU CD1 C 23.452 0.300 2 561 54 54 LEU CD2 C 20.112 0.300 2 562 54 54 LEU CG C 24.505 0.300 1 563 54 54 LEU N N 117.178 0.300 1 564 55 55 ILE H H 7.234 0.030 1 565 55 55 ILE HA H 4.322 0.030 1 566 55 55 ILE HB H 1.772 0.030 1 567 55 55 ILE HD1 H 0.967 0.030 1 568 55 55 ILE HG12 H 0.871 0.030 2 569 55 55 ILE HG13 H 1.486 0.030 2 570 55 55 ILE HG2 H 0.906 0.030 1 571 55 55 ILE C C 168.453 0.300 1 572 55 55 ILE CA C 57.230 0.300 1 573 55 55 ILE CB C 38.643 0.300 1 574 55 55 ILE CD1 C 13.690 0.300 1 575 55 55 ILE CG1 C 26.856 0.300 1 576 55 55 ILE CG2 C 13.767 0.300 1 577 55 55 ILE N N 115.764 0.300 1 578 56 56 ASP H H 8.269 0.030 1 579 56 56 ASP HA H 5.013 0.030 1 580 56 56 ASP HB2 H 2.495 0.030 2 581 56 56 ASP HB3 H 2.717 0.030 2 582 56 56 ASP C C 174.163 0.300 1 583 56 56 ASP CA C 49.344 0.300 1 584 56 56 ASP CB C 37.806 0.300 1 585 56 56 ASP N N 124.868 0.300 1 586 57 57 TYR H H 7.193 0.030 1 587 57 57 TYR HA H 3.562 0.030 1 588 57 57 TYR HB2 H 2.374 0.030 2 589 57 57 TYR HB3 H 2.278 0.030 2 590 57 57 TYR HD1 H 6.518 0.030 1 591 57 57 TYR HD2 H 6.518 0.030 1 592 57 57 TYR HE1 H 6.757 0.030 1 593 57 57 TYR HE2 H 6.757 0.030 1 594 57 57 TYR C C 174.781 0.300 1 595 57 57 TYR CA C 59.456 0.300 1 596 57 57 TYR CB C 36.708 0.300 1 597 57 57 TYR CD1 C 130.610 0.300 1 598 57 57 TYR CD2 C 130.610 0.300 1 599 57 57 TYR CE1 C 115.678 0.300 1 600 57 57 TYR CE2 C 115.678 0.300 1 601 57 57 TYR N N 125.781 0.300 1 602 58 58 LYS H H 8.316 0.030 1 603 58 58 LYS HA H 3.956 0.030 1 604 58 58 LYS HB2 H 1.879 0.030 2 605 58 58 LYS HB3 H 1.807 0.030 2 606 58 58 LYS HD2 H 1.627 0.030 1 607 58 58 LYS HD3 H 1.627 0.030 1 608 58 58 LYS HE2 H 2.968 0.030 1 609 58 58 LYS HE3 H 2.968 0.030 1 610 58 58 LYS HG2 H 1.516 0.030 2 611 58 58 LYS HG3 H 1.361 0.030 2 612 58 58 LYS C C 174.477 0.300 1 613 58 58 LYS CA C 56.252 0.300 1 614 58 58 LYS CB C 29.592 0.300 1 615 58 58 LYS CD C 26.972 0.300 1 616 58 58 LYS CE C 39.960 0.300 1 617 58 58 LYS CG C 22.385 0.300 1 618 58 58 LYS N N 116.102 0.300 1 619 59 59 SER H H 7.078 0.030 1 620 59 59 SER HA H 4.257 0.030 1 621 59 59 SER HB2 H 3.745 0.030 2 622 59 59 SER HB3 H 3.791 0.030 2 623 59 59 SER C C 172.094 0.300 1 624 59 59 SER CA C 56.370 0.300 1 625 59 59 SER CB C 61.606 0.300 1 626 59 59 SER N N 111.598 0.300 1 627 60 60 LEU H H 7.025 0.030 1 628 60 60 LEU HA H 4.151 0.030 1 629 60 60 LEU HB2 H 1.102 0.030 2 630 60 60 LEU HB3 H 0.848 0.030 2 631 60 60 LEU HD1 H 0.443 0.030 1 632 60 60 LEU HD2 H 0.631 0.030 1 633 60 60 LEU HG H 1.587 0.030 1 634 60 60 LEU C C 174.403 0.300 1 635 60 60 LEU CA C 52.508 0.300 1 636 60 60 LEU CB C 38.800 0.300 1 637 60 60 LEU CD1 C 25.837 0.300 2 638 60 60 LEU CD2 C 19.312 0.300 2 639 60 60 LEU CG C 23.467 0.300 1 640 60 60 LEU N N 120.976 0.300 1 641 61 61 ASN H H 9.202 0.030 1 642 61 61 ASN HA H 5.046 0.030 1 643 61 61 ASN HB2 H 2.978 0.030 2 644 61 61 ASN HB3 H 2.686 0.030 2 645 61 61 ASN HD21 H 7.730 0.030 2 646 61 61 ASN HD22 H 6.889 0.030 2 647 61 61 ASN C C 173.111 0.300 1 648 61 61 ASN CA C 47.393 0.300 1 649 61 61 ASN CB C 37.810 0.300 1 650 61 61 ASN N N 122.177 0.300 1 651 61 61 ASN ND2 N 113.801 0.300 1 652 62 62 PRO HA H 3.797 0.030 1 653 62 62 PRO HB2 H 1.912 0.030 2 654 62 62 PRO HB3 H 2.217 0.030 2 655 62 62 PRO HD2 H 3.819 0.030 2 656 62 62 PRO HD3 H 3.761 0.030 2 657 62 62 PRO HG2 H 1.983 0.030 2 658 62 62 PRO HG3 H 1.898 0.030 2 659 62 62 PRO C C 173.390 0.300 1 660 62 62 PRO CA C 62.667 0.300 1 661 62 62 PRO CB C 30.219 0.300 1 662 62 62 PRO CD C 49.031 0.300 1 663 62 62 PRO CG C 24.871 0.300 1 664 63 63 GLN H H 8.145 0.030 1 665 63 63 GLN HA H 4.168 0.030 1 666 63 63 GLN HB2 H 1.907 0.030 2 667 63 63 GLN HB3 H 2.098 0.030 2 668 63 63 GLN HE21 H 6.903 0.030 2 669 63 63 GLN HE22 H 6.715 0.030 2 670 63 63 GLN HG2 H 2.319 0.030 2 671 63 63 GLN HG3 H 2.392 0.030 2 672 63 63 GLN C C 175.162 0.300 1 673 63 63 GLN CA C 54.386 0.300 1 674 63 63 GLN CB C 26.296 0.300 1 675 63 63 GLN CG C 31.731 0.300 1 676 63 63 GLN N N 111.907 0.300 1 677 63 63 GLN NE2 N 109.659 0.300 1 678 64 64 ASP H H 7.459 0.030 1 679 64 64 ASP HA H 4.764 0.030 1 680 64 64 ASP HB2 H 2.581 0.030 2 681 64 64 ASP HB3 H 2.877 0.030 2 682 64 64 ASP C C 172.124 0.300 1 683 64 64 ASP CA C 50.650 0.300 1 684 64 64 ASP CB C 36.403 0.300 1 685 64 64 ASP N N 122.985 0.300 1 686 65 65 ILE H H 7.587 0.030 1 687 65 65 ILE HA H 3.425 0.030 1 688 65 65 ILE HB H 1.686 0.030 1 689 65 65 ILE HD1 H 0.886 0.030 1 690 65 65 ILE HG12 H 0.943 0.030 2 691 65 65 ILE HG13 H 1.677 0.030 2 692 65 65 ILE HG2 H 0.767 0.030 1 693 65 65 ILE C C 176.753 0.300 1 694 65 65 ILE CA C 63.745 0.300 1 695 65 65 ILE CB C 36.566 0.300 1 696 65 65 ILE CD1 C 10.788 0.300 1 697 65 65 ILE CG1 C 26.616 0.300 1 698 65 65 ILE CG2 C 15.248 0.300 1 699 65 65 ILE N N 120.285 0.300 1 700 66 66 LYS H H 8.761 0.030 1 701 66 66 LYS HA H 3.609 0.030 1 702 66 66 LYS HB2 H 1.697 0.030 1 703 66 66 LYS HB3 H 1.697 0.030 1 704 66 66 LYS HD2 H 1.597 0.030 1 705 66 66 LYS HD3 H 1.597 0.030 1 706 66 66 LYS HE2 H 2.840 0.030 1 707 66 66 LYS HE3 H 2.840 0.030 1 708 66 66 LYS HG2 H 1.207 0.030 2 709 66 66 LYS HG3 H 1.127 0.030 2 710 66 66 LYS C C 175.717 0.300 1 711 66 66 LYS CA C 58.577 0.300 1 712 66 66 LYS CB C 30.069 0.300 1 713 66 66 LYS CD C 27.173 0.300 1 714 66 66 LYS CE C 39.574 0.300 1 715 66 66 LYS CG C 23.345 0.300 1 716 66 66 LYS N N 120.342 0.300 1 717 67 67 GLU H H 8.321 0.030 1 718 67 67 GLU HA H 3.862 0.030 1 719 67 67 GLU HB2 H 1.884 0.030 2 720 67 67 GLU HB3 H 1.754 0.030 2 721 67 67 GLU HG2 H 2.326 0.030 2 722 67 67 GLU HG3 H 2.140 0.030 2 723 67 67 GLU C C 176.294 0.300 1 724 67 67 GLU CA C 57.018 0.300 1 725 67 67 GLU CB C 27.066 0.300 1 726 67 67 GLU CG C 33.895 0.300 1 727 67 67 GLU N N 117.938 0.300 1 728 68 68 ASN H H 8.748 0.030 1 729 68 68 ASN HA H 4.111 0.030 1 730 68 68 ASN HB2 H 3.132 0.030 2 731 68 68 ASN HB3 H 2.343 0.030 2 732 68 68 ASN HD21 H 6.942 0.030 2 733 68 68 ASN HD22 H 6.896 0.030 2 734 68 68 ASN C C 175.276 0.300 1 735 68 68 ASN CA C 53.439 0.300 1 736 68 68 ASN CB C 35.653 0.300 1 737 68 68 ASN N N 117.426 0.300 1 738 68 68 ASN ND2 N 106.138 0.300 1 739 69 69 ASN H H 7.122 0.030 1 740 69 69 ASN HA H 3.834 0.030 1 741 69 69 ASN HB2 H 2.009 0.030 2 742 69 69 ASN HB3 H 2.512 0.030 2 743 69 69 ASN HD21 H 7.097 0.030 2 744 69 69 ASN HD22 H 8.328 0.030 2 745 69 69 ASN C C 171.899 0.300 1 746 69 69 ASN CA C 55.521 0.300 1 747 69 69 ASN CB C 36.959 0.300 1 748 69 69 ASN N N 114.700 0.300 1 749 69 69 ASN ND2 N 117.237 0.300 1 750 70 70 LYS H H 8.122 0.030 1 751 70 70 LYS HA H 3.568 0.030 1 752 70 70 LYS HB2 H 1.816 0.030 2 753 70 70 LYS HB3 H 1.615 0.030 2 754 70 70 LYS HD2 H 1.572 0.030 2 755 70 70 LYS HD3 H 1.631 0.030 2 756 70 70 LYS HE2 H 2.969 0.030 1 757 70 70 LYS HE3 H 2.969 0.030 1 758 70 70 LYS HG2 H 1.308 0.030 1 759 70 70 LYS HG3 H 1.308 0.030 1 760 70 70 LYS C C 175.417 0.300 1 761 70 70 LYS CA C 57.888 0.300 1 762 70 70 LYS CB C 30.621 0.300 1 763 70 70 LYS CD C 27.126 0.300 1 764 70 70 LYS CE C 39.941 0.300 1 765 70 70 LYS CG C 22.291 0.300 1 766 70 70 LYS N N 117.554 0.300 1 767 71 71 LYS H H 8.311 0.030 1 768 71 71 LYS HA H 3.916 0.030 1 769 71 71 LYS HB2 H 1.816 0.030 2 770 71 71 LYS HB3 H 1.649 0.030 2 771 71 71 LYS HD2 H 1.455 0.030 2 772 71 71 LYS HD3 H 1.554 0.030 2 773 71 71 LYS HE2 H 2.900 0.030 2 774 71 71 LYS HG2 H 1.335 0.030 2 775 71 71 LYS HG3 H 1.714 0.030 2 776 71 71 LYS C C 178.437 0.300 1 777 71 71 LYS CA C 57.581 0.300 1 778 71 71 LYS CB C 30.871 0.300 1 779 71 71 LYS CD C 27.897 0.300 1 780 71 71 LYS CE C 39.981 0.300 1 781 71 71 LYS CG C 24.371 0.300 1 782 71 71 LYS N N 116.339 0.300 1 783 72 72 ALA H H 7.445 0.030 1 784 72 72 ALA HA H 3.813 0.030 1 785 72 72 ALA HB H 1.632 0.030 1 786 72 72 ALA C C 175.883 0.300 1 787 72 72 ALA CA C 52.825 0.300 1 788 72 72 ALA CB C 15.982 0.300 1 789 72 72 ALA N N 120.588 0.300 1 790 73 73 TYR H H 8.734 0.030 1 791 73 73 TYR HA H 4.869 0.030 1 792 73 73 TYR HB2 H 3.259 0.030 1 793 73 73 TYR HB3 H 3.259 0.030 1 794 73 73 TYR HD1 H 6.907 0.030 1 795 73 73 TYR HD2 H 6.907 0.030 1 796 73 73 TYR HE1 H 5.915 0.030 1 797 73 73 TYR HE2 H 5.915 0.030 1 798 73 73 TYR C C 178.602 0.300 1 799 73 73 TYR CA C 54.960 0.300 1 800 73 73 TYR CB C 33.380 0.300 1 801 73 73 TYR CD1 C 129.480 0.300 1 802 73 73 TYR CD2 C 129.480 0.300 1 803 73 73 TYR CE1 C 120.044 0.300 1 804 73 73 TYR CE2 C 120.044 0.300 1 805 73 73 TYR N N 116.853 0.300 1 806 74 74 ASP H H 9.256 0.030 1 807 74 74 ASP HA H 4.445 0.030 1 808 74 74 ASP HB2 H 2.611 0.030 2 809 74 74 ASP HB3 H 2.818 0.030 2 810 74 74 ASP C C 177.462 0.300 1 811 74 74 ASP CA C 54.863 0.300 1 812 74 74 ASP CB C 37.345 0.300 1 813 74 74 ASP N N 120.868 0.300 1 814 75 75 GLY H H 7.965 0.030 1 815 75 75 GLY HA2 H 3.613 0.030 2 816 75 75 GLY HA3 H 3.861 0.030 2 817 75 75 GLY C C 174.383 0.300 1 818 75 75 GLY CA C 45.200 0.300 1 819 75 75 GLY N N 110.713 0.300 1 820 76 76 PHE H H 9.023 0.030 1 821 76 76 PHE HA H 4.421 0.030 1 822 76 76 PHE HB2 H 3.243 0.030 2 823 76 76 PHE HB3 H 3.060 0.030 2 824 76 76 PHE HD1 H 7.369 0.030 1 825 76 76 PHE HD2 H 7.369 0.030 1 826 76 76 PHE HE1 H 7.298 0.030 1 827 76 76 PHE HE2 H 7.298 0.030 1 828 76 76 PHE HZ H 7.557 0.030 1 829 76 76 PHE C C 176.030 0.300 1 830 76 76 PHE CA C 57.945 0.300 1 831 76 76 PHE CB C 34.649 0.300 1 832 76 76 PHE CD1 C 129.810 0.300 1 833 76 76 PHE CD2 C 129.810 0.300 1 834 76 76 PHE CE1 C 128.121 0.300 1 835 76 76 PHE CE2 C 128.121 0.300 1 836 76 76 PHE CZ C 127.803 0.300 1 837 76 76 PHE N N 120.841 0.300 1 838 77 77 ALA H H 8.672 0.030 1 839 77 77 ALA HA H 4.527 0.030 1 840 77 77 ALA HB H 1.517 0.030 1 841 77 77 ALA C C 179.874 0.300 1 842 77 77 ALA CA C 52.400 0.300 1 843 77 77 ALA CB C 15.283 0.300 1 844 77 77 ALA N N 122.239 0.300 1 845 78 78 SER H H 8.012 0.030 1 846 78 78 SER HA H 4.277 0.030 1 847 78 78 SER HB2 H 4.070 0.030 1 848 78 78 SER HB3 H 4.070 0.030 1 849 78 78 SER C C 172.902 0.300 1 850 78 78 SER CA C 59.252 0.300 1 851 78 78 SER CB C 60.641 0.300 1 852 78 78 SER N N 115.963 0.300 1 853 79 79 ILE H H 7.045 0.030 1 854 79 79 ILE HA H 4.501 0.030 1 855 79 79 ILE HB H 2.253 0.030 1 856 79 79 ILE HD1 H 0.849 0.030 1 857 79 79 ILE HG12 H 1.147 0.030 2 858 79 79 ILE HG13 H 1.433 0.030 2 859 79 79 ILE HG2 H 0.837 0.030 1 860 79 79 ILE C C 173.326 0.300 1 861 79 79 ILE CA C 58.728 0.300 1 862 79 79 ILE CB C 35.106 0.300 1 863 79 79 ILE CD1 C 13.021 0.300 1 864 79 79 ILE CG1 C 23.631 0.300 1 865 79 79 ILE CG2 C 15.867 0.300 1 866 79 79 ILE N N 113.637 0.300 1 867 80 80 GLY H H 7.368 0.030 1 868 80 80 GLY HA2 H 3.542 0.030 2 869 80 80 GLY HA3 H 4.326 0.030 2 870 80 80 GLY C C 171.847 0.300 1 871 80 80 GLY CA C 42.864 0.300 1 872 80 80 GLY N N 105.784 0.300 1 873 81 81 ILE H H 7.809 0.030 1 874 81 81 ILE HA H 3.950 0.030 1 875 81 81 ILE HB H 1.395 0.030 1 876 81 81 ILE HD1 H 0.258 0.030 1 877 81 81 ILE HG12 H 0.365 0.030 2 878 81 81 ILE HG13 H 0.665 0.030 2 879 81 81 ILE HG2 H 0.466 0.030 1 880 81 81 ILE C C 173.181 0.300 1 881 81 81 ILE CA C 58.081 0.300 1 882 81 81 ILE CB C 35.122 0.300 1 883 81 81 ILE CD1 C 12.151 0.300 1 884 81 81 ILE CG1 C 24.660 0.300 1 885 81 81 ILE CG2 C 14.960 0.300 1 886 81 81 ILE N N 122.953 0.300 1 887 82 82 SER H H 8.335 0.030 1 888 82 82 SER HA H 4.106 0.030 1 889 82 82 SER HB2 H 3.695 0.030 2 890 82 82 SER HB3 H 3.768 0.030 2 891 82 82 SER C C 171.292 0.300 1 892 82 82 SER CA C 57.348 0.300 1 893 82 82 SER CB C 61.158 0.300 1 894 82 82 SER N N 124.959 0.300 1 895 83 83 ARG H H 8.294 0.030 1 896 83 83 ARG HA H 4.145 0.030 1 897 83 83 ARG HB2 H 1.489 0.030 2 898 83 83 ARG HB3 H 1.625 0.030 2 899 83 83 ARG HD2 H 3.290 0.030 2 900 83 83 ARG HD3 H 3.082 0.030 2 901 83 83 ARG HG2 H 1.579 0.030 2 902 83 83 ARG HG3 H 1.654 0.030 2 903 83 83 ARG C C 174.470 0.300 1 904 83 83 ARG CA C 54.470 0.300 1 905 83 83 ARG CB C 28.299 0.300 1 906 83 83 ARG CD C 41.282 0.300 1 907 83 83 ARG CG C 26.178 0.300 1 908 83 83 ARG N N 121.278 0.300 1 909 84 84 LEU H H 6.575 0.030 1 910 84 84 LEU HA H 4.214 0.030 1 911 84 84 LEU HB2 H 1.125 0.030 2 912 84 84 LEU HB3 H 0.906 0.030 2 913 84 84 LEU HD1 H 0.760 0.030 1 914 84 84 LEU HD2 H 0.722 0.030 1 915 84 84 LEU HG H 1.410 0.030 1 916 84 84 LEU C C 173.071 0.300 1 917 84 84 LEU CA C 52.978 0.300 1 918 84 84 LEU CB C 42.742 0.300 1 919 84 84 LEU CD1 C 22.065 0.300 2 920 84 84 LEU CD2 C 21.285 0.300 2 921 84 84 LEU CG C 24.730 0.300 1 922 84 84 LEU N N 121.740 0.300 1 923 85 85 LEU H H 6.749 0.030 1 924 85 85 LEU HA H 4.123 0.030 1 925 85 85 LEU HB2 H 1.114 0.030 2 926 85 85 LEU HB3 H 0.409 0.030 2 927 85 85 LEU HD1 H 0.709 0.030 1 928 85 85 LEU HD2 H 0.511 0.030 1 929 85 85 LEU HG H 0.724 0.030 1 930 85 85 LEU C C 172.833 0.300 1 931 85 85 LEU CA C 51.203 0.300 1 932 85 85 LEU CB C 41.710 0.300 1 933 85 85 LEU CD1 C 22.256 0.300 2 934 85 85 LEU CD2 C 24.789 0.300 2 935 85 85 LEU CG C 24.829 0.300 1 936 85 85 LEU N N 118.581 0.300 1 937 86 86 GLU H H 8.650 0.030 1 938 86 86 GLU HA H 4.878 0.030 1 939 86 86 GLU HB2 H 2.036 0.030 2 940 86 86 GLU HB3 H 1.785 0.030 2 941 86 86 GLU HG2 H 2.181 0.030 1 942 86 86 GLU HG3 H 2.181 0.030 1 943 86 86 GLU C C 174.145 0.300 1 944 86 86 GLU CA C 49.888 0.300 1 945 86 86 GLU CB C 28.658 0.300 1 946 86 86 GLU CG C 33.162 0.300 1 947 86 86 GLU N N 121.172 0.300 1 948 87 87 PRO HA H 4.001 0.030 1 949 87 87 PRO HB2 H 2.620 0.030 2 950 87 87 PRO HB3 H 2.030 0.030 2 951 87 87 PRO HD2 H 3.994 0.030 2 952 87 87 PRO HD3 H 4.129 0.030 2 953 87 87 PRO HG2 H 1.653 0.030 2 954 87 87 PRO HG3 H 2.169 0.030 2 955 87 87 PRO C C 175.584 0.300 1 956 87 87 PRO CA C 64.337 0.300 1 957 87 87 PRO CB C 30.369 0.300 1 958 87 87 PRO CD C 48.693 0.300 1 959 87 87 PRO CG C 25.706 0.300 1 960 88 88 SER H H 8.603 0.030 1 961 88 88 SER HA H 3.954 0.030 1 962 88 88 SER HB2 H 3.925 0.030 2 963 88 88 SER HB3 H 3.832 0.030 2 964 88 88 SER C C 174.183 0.300 1 965 88 88 SER CA C 59.331 0.300 1 966 88 88 SER CB C 60.135 0.300 1 967 88 88 SER N N 108.701 0.300 1 968 89 89 ASP H H 7.711 0.030 1 969 89 89 ASP HA H 4.471 0.030 1 970 89 89 ASP HB2 H 2.676 0.030 2 971 89 89 ASP HB3 H 3.010 0.030 2 972 89 89 ASP C C 175.703 0.300 1 973 89 89 ASP CA C 55.150 0.300 1 974 89 89 ASP CB C 37.987 0.300 1 975 89 89 ASP N N 122.230 0.300 1 976 90 90 MET H H 7.228 0.030 1 977 90 90 MET HA H 4.264 0.030 1 978 90 90 MET HB2 H 2.494 0.030 2 979 90 90 MET HB3 H 2.216 0.030 2 980 90 90 MET HE H 2.360 0.030 1 981 90 90 MET HG2 H 3.000 0.030 2 982 90 90 MET HG3 H 2.836 0.030 2 983 90 90 MET C C 174.407 0.300 1 984 90 90 MET CA C 54.036 0.300 1 985 90 90 MET CB C 30.169 0.300 1 986 90 90 MET CE C 16.039 0.300 1 987 90 90 MET CG C 30.767 0.300 1 988 90 90 MET N N 113.989 0.300 1 989 91 91 VAL H H 7.004 0.030 1 990 91 91 VAL HA H 3.643 0.030 1 991 91 91 VAL HB H 2.132 0.030 1 992 91 91 VAL HG1 H 0.897 0.030 1 993 91 91 VAL HG2 H 0.950 0.030 1 994 91 91 VAL C C 175.376 0.300 1 995 91 91 VAL CA C 62.518 0.300 1 996 91 91 VAL CB C 30.176 0.300 1 997 91 91 VAL CG1 C 19.056 0.300 2 998 91 91 VAL CG2 C 19.970 0.300 2 999 91 91 VAL N N 114.282 0.300 1 1000 92 92 LEU H H 7.496 0.030 1 1001 92 92 LEU HA H 4.071 0.030 1 1002 92 92 LEU HB2 H 1.552 0.030 2 1003 92 92 LEU HB3 H 1.734 0.030 2 1004 92 92 LEU HD1 H 0.856 0.030 1 1005 92 92 LEU HD2 H 0.827 0.030 1 1006 92 92 LEU HG H 1.664 0.030 1 1007 92 92 LEU C C 175.327 0.300 1 1008 92 92 LEU CA C 54.533 0.300 1 1009 92 92 LEU CB C 41.221 0.300 1 1010 92 92 LEU CD1 C 22.422 0.300 2 1011 92 92 LEU CD2 C 20.986 0.300 2 1012 92 92 LEU CG C 24.574 0.300 1 1013 92 92 LEU N N 118.303 0.300 1 1014 93 93 LEU H H 7.782 0.030 1 1015 93 93 LEU HA H 4.335 0.030 1 1016 93 93 LEU HB2 H 1.212 0.030 2 1017 93 93 LEU HB3 H 1.720 0.030 2 1018 93 93 LEU HD1 H 0.862 0.030 1 1019 93 93 LEU HD2 H 0.813 0.030 1 1020 93 93 LEU HG H 1.695 0.030 1 1021 93 93 LEU C C 173.972 0.300 1 1022 93 93 LEU CA C 51.774 0.300 1 1023 93 93 LEU CB C 39.884 0.300 1 1024 93 93 LEU CD1 C 23.151 0.300 2 1025 93 93 LEU CD2 C 20.613 0.300 2 1026 93 93 LEU CG C 24.600 0.300 1 1027 93 93 LEU N N 118.907 0.300 1 1028 94 94 ALA H H 8.080 0.030 1 1029 94 94 ALA HA H 3.962 0.030 1 1030 94 94 ALA HB H 1.362 0.030 1 1031 94 94 ALA C C 175.675 0.300 1 1032 94 94 ALA CA C 51.782 0.300 1 1033 94 94 ALA CB C 16.469 0.300 1 1034 94 94 ALA N N 123.210 0.300 1 1035 95 95 ILE H H 7.608 0.030 1 1036 95 95 ILE HA H 4.391 0.030 1 1037 95 95 ILE HB H 1.847 0.030 1 1038 95 95 ILE HD1 H 0.835 0.030 1 1039 95 95 ILE HG12 H 1.448 0.030 2 1040 95 95 ILE HG13 H 1.038 0.030 2 1041 95 95 ILE HG2 H 0.982 0.030 1 1042 95 95 ILE C C 170.775 0.300 1 1043 95 95 ILE CA C 55.456 0.300 1 1044 95 95 ILE CB C 37.291 0.300 1 1045 95 95 ILE CD1 C 10.536 0.300 1 1046 95 95 ILE CG1 C 24.531 0.300 1 1047 95 95 ILE CG2 C 15.220 0.300 1 1048 95 95 ILE N N 114.240 0.300 1 1049 96 96 PRO HA H 4.276 0.030 1 1050 96 96 PRO HB2 H 2.124 0.030 2 1051 96 96 PRO HB3 H 1.622 0.030 2 1052 96 96 PRO HD2 H 3.058 0.030 2 1053 96 96 PRO HD3 H 3.822 0.030 2 1054 96 96 PRO HG2 H 1.896 0.030 2 1055 96 96 PRO HG3 H 2.018 0.030 2 1056 96 96 PRO C C 171.767 0.300 1 1057 96 96 PRO CA C 60.044 0.300 1 1058 96 96 PRO CB C 30.637 0.300 1 1059 96 96 PRO CD C 48.441 0.300 1 1060 96 96 PRO CG C 25.476 0.300 1 1061 97 97 ASP H H 8.550 0.030 1 1062 97 97 ASP HA H 4.363 0.030 1 1063 97 97 ASP HB2 H 2.664 0.030 2 1064 97 97 ASP HB3 H 2.566 0.030 2 1065 97 97 ASP C C 172.772 0.300 1 1066 97 97 ASP CA C 52.578 0.300 1 1067 97 97 ASP CB C 40.053 0.300 1 1068 97 97 ASP N N 119.778 0.300 1 1069 98 98 LYS H H 8.208 0.030 1 1070 98 98 LYS HA H 4.078 0.030 1 1071 98 98 LYS HB2 H 1.663 0.030 1 1072 98 98 LYS HB3 H 1.663 0.030 1 1073 98 98 LYS HD2 H 1.788 0.030 2 1074 98 98 LYS HD3 H 1.638 0.030 2 1075 98 98 LYS HE2 H 3.051 0.030 2 1076 98 98 LYS HE3 H 3.004 0.030 2 1077 98 98 LYS HG2 H 1.179 0.030 2 1078 98 98 LYS HG3 H 1.397 0.030 2 1079 98 98 LYS C C 175.191 0.300 1 1080 98 98 LYS CA C 56.644 0.300 1 1081 98 98 LYS CB C 30.957 0.300 1 1082 98 98 LYS CD C 27.752 0.300 1 1083 98 98 LYS CE C 39.938 0.300 1 1084 98 98 LYS CG C 22.242 0.300 1 1085 98 98 LYS N N 129.329 0.300 1 1086 99 99 LEU H H 8.114 0.030 1 1087 99 99 LEU HA H 3.955 0.030 1 1088 99 99 LEU HB2 H 1.650 0.030 1 1089 99 99 LEU HB3 H 1.650 0.030 1 1090 99 99 LEU HD1 H 0.804 0.030 1 1091 99 99 LEU HD2 H 0.832 0.030 1 1092 99 99 LEU HG H 1.484 0.030 1 1093 99 99 LEU C C 178.118 0.300 1 1094 99 99 LEU CA C 55.700 0.300 1 1095 99 99 LEU CB C 38.472 0.300 1 1096 99 99 LEU CD1 C 21.987 0.300 2 1097 99 99 LEU CD2 C 21.510 0.300 2 1098 99 99 LEU CG C 25.017 0.300 1 1099 99 99 LEU N N 116.931 0.300 1 1100 100 100 THR H H 7.916 0.030 1 1101 100 100 THR HA H 3.691 0.030 1 1102 100 100 THR HB H 4.098 0.030 1 1103 100 100 THR HG2 H 1.012 0.030 1 1104 100 100 THR C C 173.377 0.300 1 1105 100 100 THR CA C 65.118 0.300 1 1106 100 100 THR CB C 65.831 0.300 1 1107 100 100 THR CG2 C 20.246 0.300 1 1108 100 100 THR N N 118.767 0.300 1 1109 101 101 VAL H H 8.172 0.030 1 1110 101 101 VAL HA H 3.337 0.030 1 1111 101 101 VAL HB H 2.320 0.030 1 1112 101 101 VAL HG1 H 0.295 0.030 1 1113 101 101 VAL HG2 H 0.944 0.030 1 1114 101 101 VAL C C 175.664 0.300 1 1115 101 101 VAL CA C 65.896 0.300 1 1116 101 101 VAL CB C 29.448 0.300 1 1117 101 101 VAL CG1 C 19.560 0.300 2 1118 101 101 VAL CG2 C 20.948 0.300 2 1119 101 101 VAL N N 121.801 0.300 1 1120 102 102 MET H H 8.459 0.030 1 1121 102 102 MET HA H 3.078 0.030 1 1122 102 102 MET HB2 H 1.515 0.030 2 1123 102 102 MET HB3 H 1.693 0.030 2 1124 102 102 MET HE H 1.650 0.030 1 1125 102 102 MET HG2 H 2.203 0.030 2 1126 102 102 MET HG3 H 0.769 0.030 2 1127 102 102 MET C C 174.588 0.300 1 1128 102 102 MET CA C 58.224 0.300 1 1129 102 102 MET CB C 30.846 0.300 1 1130 102 102 MET CE C 13.908 0.300 1 1131 102 102 MET CG C 29.531 0.300 1 1132 102 102 MET N N 114.975 0.300 1 1133 103 103 THR H H 8.051 0.030 1 1134 103 103 THR HA H 3.758 0.030 1 1135 103 103 THR HB H 4.158 0.030 1 1136 103 103 THR HG2 H 1.097 0.030 1 1137 103 103 THR C C 173.664 0.300 1 1138 103 103 THR CA C 65.299 0.300 1 1139 103 103 THR CB C 66.521 0.300 1 1140 103 103 THR CG2 C 18.823 0.300 1 1141 103 103 THR N N 114.741 0.300 1 1142 104 104 TYR H H 8.013 0.030 1 1143 104 104 TYR HA H 4.159 0.030 1 1144 104 104 TYR HB2 H 2.948 0.030 2 1145 104 104 TYR HB3 H 2.893 0.030 2 1146 104 104 TYR HD1 H 6.709 0.030 1 1147 104 104 TYR HD2 H 6.709 0.030 1 1148 104 104 TYR HE1 H 6.389 0.030 1 1149 104 104 TYR HE2 H 6.389 0.030 1 1150 104 104 TYR C C 175.179 0.300 1 1151 104 104 TYR CA C 57.411 0.300 1 1152 104 104 TYR CB C 36.802 0.300 1 1153 104 104 TYR CD1 C 129.752 0.300 1 1154 104 104 TYR CD2 C 129.752 0.300 1 1155 104 104 TYR CE1 C 115.342 0.300 1 1156 104 104 TYR CE2 C 115.342 0.300 1 1157 104 104 TYR N N 122.502 0.300 1 1158 105 105 LEU H H 8.212 0.030 1 1159 105 105 LEU HA H 3.748 0.030 1 1160 105 105 LEU HB2 H 1.640 0.030 2 1161 105 105 LEU HB3 H 0.948 0.030 2 1162 105 105 LEU HD1 H -0.172 0.030 1 1163 105 105 LEU HD2 H 0.706 0.030 1 1164 105 105 LEU HG H 1.433 0.030 1 1165 105 105 LEU C C 176.381 0.300 1 1166 105 105 LEU CA C 55.571 0.300 1 1167 105 105 LEU CB C 40.952 0.300 1 1168 105 105 LEU CD1 C 23.859 0.300 2 1169 105 105 LEU CD2 C 20.674 0.300 2 1170 105 105 LEU CG C 25.117 0.300 1 1171 105 105 LEU N N 117.683 0.300 1 1172 106 106 TYR H H 8.838 0.030 1 1173 106 106 TYR HA H 3.810 0.030 1 1174 106 106 TYR HB2 H 2.930 0.030 1 1175 106 106 TYR HB3 H 2.930 0.030 1 1176 106 106 TYR HD1 H 6.899 0.030 1 1177 106 106 TYR HD2 H 6.899 0.030 1 1178 106 106 TYR HE1 H 6.518 0.030 1 1179 106 106 TYR HE2 H 6.518 0.030 1 1180 106 106 TYR C C 177.569 0.300 1 1181 106 106 TYR CA C 59.918 0.300 1 1182 106 106 TYR CB C 35.286 0.300 1 1183 106 106 TYR CD1 C 131.163 0.300 1 1184 106 106 TYR CD2 C 131.163 0.300 1 1185 106 106 TYR CE1 C 115.498 0.300 1 1186 106 106 TYR CE2 C 115.498 0.300 1 1187 106 106 TYR N N 119.149 0.300 1 1188 107 107 GLN H H 7.516 0.030 1 1189 107 107 GLN HA H 3.902 0.030 1 1190 107 107 GLN HB2 H 2.213 0.030 2 1191 107 107 GLN HB3 H 1.925 0.030 2 1192 107 107 GLN HE21 H 7.513 0.030 2 1193 107 107 GLN HE22 H 6.808 0.030 2 1194 107 107 GLN HG2 H 2.370 0.030 2 1195 107 107 GLN HG3 H 2.544 0.030 2 1196 107 107 GLN C C 176.747 0.300 1 1197 107 107 GLN CA C 56.369 0.300 1 1198 107 107 GLN CB C 25.760 0.300 1 1199 107 107 GLN CG C 31.491 0.300 1 1200 107 107 GLN N N 118.578 0.300 1 1201 107 107 GLN NE2 N 111.798 0.300 1 1202 108 108 ILE H H 7.919 0.030 1 1203 108 108 ILE HA H 3.124 0.030 1 1204 108 108 ILE HB H 1.611 0.030 1 1205 108 108 ILE HD1 H -0.417 0.030 1 1206 108 108 ILE HG12 H -0.419 0.030 2 1207 108 108 ILE HG13 H 0.891 0.030 2 1208 108 108 ILE HG2 H 0.954 0.030 1 1209 108 108 ILE C C 174.481 0.300 1 1210 108 108 ILE CA C 63.455 0.300 1 1211 108 108 ILE CB C 36.351 0.300 1 1212 108 108 ILE CD1 C 11.561 0.300 1 1213 108 108 ILE CG1 C 27.644 0.300 1 1214 108 108 ILE CG2 C 16.104 0.300 1 1215 108 108 ILE N N 123.103 0.300 1 1216 109 109 ARG H H 8.441 0.030 1 1217 109 109 ARG HA H 3.143 0.030 1 1218 109 109 ARG HB2 H 1.105 0.030 2 1219 109 109 ARG HB3 H 0.135 0.030 2 1220 109 109 ARG HD2 H 2.196 0.030 1 1221 109 109 ARG HD3 H 2.196 0.030 1 1222 109 109 ARG HG2 H -0.375 0.030 2 1223 109 109 ARG HG3 H 0.583 0.030 2 1224 109 109 ARG C C 176.827 0.300 1 1225 109 109 ARG CA C 57.536 0.300 1 1226 109 109 ARG CB C 26.616 0.300 1 1227 109 109 ARG CD C 41.200 0.300 1 1228 109 109 ARG CG C 23.438 0.300 1 1229 109 109 ARG N N 118.787 0.300 1 1230 110 110 ALA H H 7.736 0.030 1 1231 110 110 ALA HA H 3.777 0.030 1 1232 110 110 ALA HB H 1.229 0.030 1 1233 110 110 ALA C C 177.581 0.300 1 1234 110 110 ALA CA C 52.359 0.300 1 1235 110 110 ALA CB C 15.483 0.300 1 1236 110 110 ALA N N 120.100 0.300 1 1237 111 111 HIS H H 7.600 0.030 1 1238 111 111 HIS HA H 3.812 0.030 1 1239 111 111 HIS HB2 H 2.680 0.030 1 1240 111 111 HIS HB3 H 2.680 0.030 1 1241 111 111 HIS HD2 H 4.881 0.030 1 1242 111 111 HIS HE1 H 7.993 0.030 1 1243 111 111 HIS C C 175.130 0.300 1 1244 111 111 HIS CA C 57.642 0.300 1 1245 111 111 HIS CB C 28.162 0.300 1 1246 111 111 HIS CE1 C 134.882 0.300 1 1247 111 111 HIS N N 117.542 0.300 1 1248 112 112 PHE H H 7.328 0.030 1 1249 112 112 PHE HA H 4.336 0.030 1 1250 112 112 PHE HB2 H 2.198 0.030 2 1251 112 112 PHE HB3 H 2.710 0.030 2 1252 112 112 PHE HD1 H 7.101 0.030 1 1253 112 112 PHE HD2 H 7.101 0.030 1 1254 112 112 PHE HE1 H 7.233 0.030 1 1255 112 112 PHE HE2 H 7.233 0.030 1 1256 112 112 PHE HZ H 7.119 0.030 1 1257 112 112 PHE C C 174.074 0.300 1 1258 112 112 PHE CA C 57.244 0.300 1 1259 112 112 PHE CB C 36.905 0.300 1 1260 112 112 PHE CD1 C 130.130 0.300 1 1261 112 112 PHE CD2 C 130.130 0.300 1 1262 112 112 PHE CE1 C 128.107 0.300 1 1263 112 112 PHE CE2 C 128.107 0.300 1 1264 112 112 PHE CZ C 126.152 0.300 1 1265 112 112 PHE N N 113.634 0.300 1 1266 113 113 SER H H 7.668 0.030 1 1267 113 113 SER HA H 4.610 0.030 1 1268 113 113 SER HB2 H 3.785 0.030 2 1269 113 113 SER HB3 H 3.857 0.030 2 1270 113 113 SER C C 171.789 0.300 1 1271 113 113 SER CA C 56.633 0.300 1 1272 113 113 SER CB C 61.499 0.300 1 1273 113 113 SER N N 114.708 0.300 1 1274 114 114 SER H H 7.850 0.030 1 1275 114 114 SER HA H 4.416 0.030 1 1276 114 114 SER HB2 H 3.824 0.030 1 1277 114 114 SER HB3 H 3.824 0.030 1 1278 114 114 SER C C 172.121 0.300 1 1279 114 114 SER CA C 56.183 0.300 1 1280 114 114 SER CB C 61.683 0.300 1 1281 114 114 SER N N 116.403 0.300 1 1282 115 115 GLY H H 8.093 0.030 1 1283 115 115 GLY HA2 H 4.083 0.030 2 1284 115 115 GLY HA3 H 4.040 0.030 2 1285 115 115 GLY C C 169.519 0.300 1 1286 115 115 GLY CA C 42.453 0.300 1 1287 115 115 GLY N N 110.141 0.300 1 1288 116 116 PRO HA H 4.418 0.030 1 1289 116 116 PRO HB2 H 1.917 0.030 2 1290 116 116 PRO HB3 H 2.232 0.030 2 1291 116 116 PRO HD2 H 3.524 0.030 2 1292 116 116 PRO HD3 H 3.603 0.030 2 1293 116 116 PRO HG2 H 1.948 0.030 1 1294 116 116 PRO HG3 H 1.948 0.030 1 1295 116 116 PRO C C 175.098 0.300 1 1296 116 116 PRO CA C 61.106 0.300 1 1297 116 116 PRO CB C 29.867 0.300 1 1298 116 116 PRO CD C 47.506 0.300 1 1299 116 116 PRO CG C 24.866 0.300 1 1300 117 117 SER H H 8.447 0.030 1 1301 117 117 SER C C 172.329 0.300 1 1302 117 117 SER CA C 55.874 0.300 1 1303 117 117 SER CB C 61.614 0.300 1 1304 117 117 SER N N 115.986 0.300 1 1305 118 118 SER HA H 4.402 0.030 1 1306 118 118 SER HB2 H 3.803 0.030 2 1307 118 118 SER C C 171.598 0.300 1 1308 118 118 SER CA C 55.757 0.300 1 1309 118 118 SER CB C 61.853 0.300 1 1310 119 119 GLY H H 7.969 0.030 1 1311 119 119 GLY HA2 H 3.727 0.030 2 1312 119 119 GLY HA3 H 3.690 0.030 2 1313 119 119 GLY C C 176.647 0.300 1 1314 119 119 GLY CA C 43.912 0.300 1 1315 119 119 GLY N N 116.439 0.300 1 stop_ save_