data_11215 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the PDZ domain of T-cell lymphoma invasion and metastasis 1 varian ; _BMRB_accession_number 11215 _BMRB_flat_file_name bmr11215.str _Entry_type original _Submission_date 2010-07-22 _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 Qin X. . . 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" 621 "13C chemical shifts" 469 "15N chemical shifts" 105 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-21 original author . stop_ _Original_release_date 2011-07-21 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the PDZ domain of T-cell lymphoma invasion and metastasis 1 varian ; _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 Qin X. . . 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 'T-cell lymphoma invasion and metastasis 1 variant' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PDZ domain of T-cell lymphoma invasion and metastasis 1 variant' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'PDZ domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; GSSGSSGEIEICPKVTQSIH IEKSDTAADTYGFSLSSVEE DGIRRLYVNSVKETGLASKK GLKAGDEILEINNRAADALN SSMLKDFLSQPSLGLLVRTY PELEEGVESGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 ILE 10 GLU 11 ILE 12 CYS 13 PRO 14 LYS 15 VAL 16 THR 17 GLN 18 SER 19 ILE 20 HIS 21 ILE 22 GLU 23 LYS 24 SER 25 ASP 26 THR 27 ALA 28 ALA 29 ASP 30 THR 31 TYR 32 GLY 33 PHE 34 SER 35 LEU 36 SER 37 SER 38 VAL 39 GLU 40 GLU 41 ASP 42 GLY 43 ILE 44 ARG 45 ARG 46 LEU 47 TYR 48 VAL 49 ASN 50 SER 51 VAL 52 LYS 53 GLU 54 THR 55 GLY 56 LEU 57 ALA 58 SER 59 LYS 60 LYS 61 GLY 62 LEU 63 LYS 64 ALA 65 GLY 66 ASP 67 GLU 68 ILE 69 LEU 70 GLU 71 ILE 72 ASN 73 ASN 74 ARG 75 ALA 76 ALA 77 ASP 78 ALA 79 LEU 80 ASN 81 SER 82 SER 83 MET 84 LEU 85 LYS 86 ASP 87 PHE 88 LEU 89 SER 90 GLN 91 PRO 92 SER 93 LEU 94 GLY 95 LEU 96 LEU 97 VAL 98 ARG 99 THR 100 TYR 101 PRO 102 GLU 103 LEU 104 GLU 105 GLU 106 GLY 107 VAL 108 GLU 109 SER 110 GLY 111 PRO 112 SER 113 SER 114 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 2D8I "Solution Structure Of The Pdz Domain Of T-Cell Lymphoma Invasion And Metastasis 1 Varian" 100.00 114 100.00 100.00 1.39e-73 PDB 3KZD "Crystal Structure Of Free T-Cell Lymphoma Invasion And Metas Pdz Domain" 78.95 94 98.89 98.89 2.02e-55 PDB 3KZE "Crystal Structure Of T-Cell Lymphoma Invasion And Metastasis Complex With Ssrkeyya Peptide" 78.95 94 98.89 98.89 2.02e-55 PDB 4GVC "Crystal Structure Of T-cell Lymphoma Invasion And Metastasis-1 Pdz In Complex With Phosphorylated Syndecan1 Peptide" 78.95 94 98.89 98.89 2.02e-55 PDB 4GVD "Crystal Structure Of T-cell Lymphoma Invasion And Metastasis-1 Pdz In Complex With Syndecan1 Peptide" 78.95 94 98.89 98.89 2.02e-55 DBJ BAD92338 "T-cell lymphoma invasion and metastasis 1 variant [Homo sapiens]" 88.60 1060 100.00 100.00 1.69e-58 DBJ BAJ17929 "T-cell lymphoma invasion and metastasis 1 [synthetic construct]" 88.60 1591 100.00 100.00 3.10e-58 GB AAA98443 "TIAM1 protein [Homo sapiens]" 88.60 1591 99.01 99.01 1.53e-57 GB AAI17193 "T-cell lymphoma invasion and metastasis 1 [Homo sapiens]" 88.60 1591 100.00 100.00 3.10e-58 GB AAI17197 "T-cell lymphoma invasion and metastasis 1 [Homo sapiens]" 88.60 1591 100.00 100.00 3.10e-58 GB AAI43981 "TIAM1 protein [Homo sapiens]" 88.60 1531 99.01 99.01 1.34e-57 GB EAX09895 "T-cell lymphoma invasion and metastasis 1 [Homo sapiens]" 88.60 1591 100.00 100.00 3.10e-58 REF NP_001247701 "T-lymphoma invasion and metastasis-inducing protein 1 [Macaca mulatta]" 88.60 1591 99.01 99.01 2.43e-57 REF NP_003244 "T-lymphoma invasion and metastasis-inducing protein 1 [Homo sapiens]" 88.60 1591 100.00 100.00 3.10e-58 REF XP_002830672 "PREDICTED: T-lymphoma invasion and metastasis-inducing protein 1 isoform X1 [Pongo abelii]" 88.60 1591 100.00 100.00 2.60e-58 REF XP_003813268 "PREDICTED: T-lymphoma invasion and metastasis-inducing protein 1 isoform X1 [Pan paniscus]" 88.60 1591 100.00 100.00 3.13e-58 REF XP_003813269 "PREDICTED: T-lymphoma invasion and metastasis-inducing protein 1 isoform X1 [Pan paniscus]" 88.60 1591 100.00 100.00 3.13e-58 SP Q13009 "RecName: Full=T-lymphoma invasion and metastasis-inducing protein 1; Short=TIAM-1" 88.60 1591 100.00 100.00 3.10e-58 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 P050425-07 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.29mM 13C,15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.29 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 'PDZ domain of T-cell lymphoma invasion and metastasis 1 variant' _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 5 5 SER HA H 4.516 0.030 1 2 5 5 SER HB2 H 3.926 0.030 1 3 5 5 SER HB3 H 3.926 0.030 1 4 5 5 SER C C 174.736 0.300 1 5 5 5 SER CA C 58.377 0.300 1 6 5 5 SER CB C 63.792 0.300 1 7 6 6 SER H H 8.358 0.030 1 8 6 6 SER HA H 4.504 0.030 1 9 6 6 SER HB2 H 3.907 0.030 1 10 6 6 SER HB3 H 3.907 0.030 1 11 6 6 SER C C 173.959 0.300 1 12 6 6 SER CA C 58.460 0.300 1 13 6 6 SER CB C 64.121 0.300 1 14 6 6 SER N N 117.965 0.300 1 15 7 7 GLY H H 8.390 0.030 1 16 7 7 GLY HA2 H 3.973 0.030 1 17 7 7 GLY HA3 H 3.973 0.030 1 18 7 7 GLY C C 174.047 0.300 1 19 7 7 GLY CA C 45.314 0.300 1 20 7 7 GLY N N 110.727 0.300 1 21 8 8 GLU H H 8.236 0.030 1 22 8 8 GLU HA H 4.324 0.030 1 23 8 8 GLU HB2 H 2.030 0.030 2 24 8 8 GLU HB3 H 1.909 0.030 2 25 8 8 GLU HG2 H 2.246 0.030 1 26 8 8 GLU HG3 H 2.246 0.030 1 27 8 8 GLU C C 176.399 0.300 1 28 8 8 GLU CA C 56.240 0.300 1 29 8 8 GLU CB C 30.287 0.300 1 30 8 8 GLU CG C 36.281 0.300 1 31 8 8 GLU N N 120.676 0.300 1 32 9 9 ILE H H 8.268 0.030 1 33 9 9 ILE HA H 4.147 0.030 1 34 9 9 ILE HB H 1.859 0.030 1 35 9 9 ILE HD1 H 0.855 0.030 1 36 9 9 ILE HG12 H 1.479 0.030 2 37 9 9 ILE HG13 H 1.192 0.030 2 38 9 9 ILE HG2 H 0.888 0.030 1 39 9 9 ILE C C 175.754 0.300 1 40 9 9 ILE CA C 61.110 0.300 1 41 9 9 ILE CB C 38.528 0.300 1 42 9 9 ILE CD1 C 12.778 0.300 1 43 9 9 ILE CG1 C 27.230 0.300 1 44 9 9 ILE CG2 C 17.491 0.300 1 45 9 9 ILE N N 123.002 0.300 1 46 10 10 GLU H H 8.423 0.030 1 47 10 10 GLU HA H 4.312 0.030 1 48 10 10 GLU HB2 H 2.050 0.030 2 49 10 10 GLU HB3 H 1.917 0.030 2 50 10 10 GLU HG2 H 2.255 0.030 1 51 10 10 GLU HG3 H 2.255 0.030 1 52 10 10 GLU C C 176.303 0.300 1 53 10 10 GLU CA C 56.394 0.300 1 54 10 10 GLU CB C 30.278 0.300 1 55 10 10 GLU CG C 36.331 0.300 1 56 11 11 ILE H H 8.155 0.030 1 57 11 11 ILE HA H 4.157 0.030 1 58 11 11 ILE HB H 1.842 0.030 1 59 11 11 ILE HD1 H 0.850 0.030 1 60 11 11 ILE HG12 H 1.475 0.030 2 61 11 11 ILE HG13 H 1.168 0.030 2 62 11 11 ILE HG2 H 0.883 0.030 1 63 11 11 ILE C C 176.007 0.300 1 64 11 11 ILE CA C 61.014 0.300 1 65 11 11 ILE CB C 38.815 0.300 1 66 11 11 ILE CD1 C 12.908 0.300 1 67 11 11 ILE CG1 C 27.230 0.300 1 68 11 11 ILE CG2 C 17.508 0.300 1 69 11 11 ILE N N 121.658 0.300 1 70 12 12 CYS H H 8.446 0.030 1 71 12 12 CYS HA H 4.321 0.030 1 72 12 12 CYS HB2 H 1.993 0.030 1 73 12 12 CYS HB3 H 1.993 0.030 1 74 12 12 CYS C C 176.048 0.300 1 75 12 12 CYS CA C 56.354 0.300 1 76 12 12 CYS CB C 30.403 0.300 1 77 12 12 CYS N N 125.628 0.300 1 78 13 13 PRO HA H 4.473 0.030 1 79 13 13 PRO HB2 H 2.273 0.030 2 80 13 13 PRO HB3 H 1.937 0.030 2 81 13 13 PRO HD2 H 3.807 0.030 1 82 13 13 PRO HD3 H 3.807 0.030 1 83 13 13 PRO HG2 H 2.022 0.030 1 84 13 13 PRO HG3 H 2.022 0.030 1 85 13 13 PRO C C 176.294 0.300 1 86 13 13 PRO CA C 63.155 0.300 1 87 13 13 PRO CB C 32.225 0.300 1 88 13 13 PRO CD C 50.867 0.300 1 89 13 13 PRO CG C 27.230 0.300 1 90 14 14 LYS H H 8.142 0.030 1 91 14 14 LYS HA H 4.428 0.030 1 92 14 14 LYS HB2 H 1.673 0.030 2 93 14 14 LYS HB3 H 1.578 0.030 2 94 14 14 LYS HD2 H 1.475 0.030 2 95 14 14 LYS HD3 H 1.416 0.030 2 96 14 14 LYS HE2 H 2.786 0.030 2 97 14 14 LYS HE3 H 2.721 0.030 2 98 14 14 LYS HG2 H 1.391 0.030 2 99 14 14 LYS HG3 H 0.943 0.030 2 100 14 14 LYS C C 176.420 0.300 1 101 14 14 LYS CA C 56.278 0.300 1 102 14 14 LYS CB C 34.238 0.300 1 103 14 14 LYS CD C 29.574 0.300 1 104 14 14 LYS CE C 42.108 0.300 1 105 14 14 LYS CG C 25.813 0.300 1 106 14 14 LYS N N 119.655 0.300 1 107 15 15 VAL H H 8.642 0.030 1 108 15 15 VAL HA H 4.477 0.030 1 109 15 15 VAL HB H 2.143 0.030 1 110 15 15 VAL HG1 H 0.795 0.030 1 111 15 15 VAL HG2 H 0.891 0.030 1 112 15 15 VAL C C 175.100 0.300 1 113 15 15 VAL CA C 60.650 0.300 1 114 15 15 VAL CB C 33.985 0.300 1 115 15 15 VAL CG1 C 19.553 0.300 2 116 15 15 VAL CG2 C 21.372 0.300 2 117 15 15 VAL N N 118.273 0.300 1 118 16 16 THR H H 8.163 0.030 1 119 16 16 THR HA H 5.416 0.030 1 120 16 16 THR HB H 3.960 0.030 1 121 16 16 THR HG2 H 1.034 0.030 1 122 16 16 THR C C 174.512 0.300 1 123 16 16 THR CA C 60.337 0.300 1 124 16 16 THR CB C 70.539 0.300 1 125 16 16 THR CG2 C 22.047 0.300 1 126 16 16 THR N N 116.354 0.300 1 127 17 17 GLN H H 9.119 0.030 1 128 17 17 GLN HA H 4.720 0.030 1 129 17 17 GLN HB2 H 1.904 0.030 2 130 17 17 GLN HB3 H 1.791 0.030 2 131 17 17 GLN HE21 H 7.140 0.030 2 132 17 17 GLN HE22 H 6.853 0.030 2 133 17 17 GLN HG2 H 2.141 0.030 1 134 17 17 GLN HG3 H 2.141 0.030 1 135 17 17 GLN C C 174.012 0.300 1 136 17 17 GLN CA C 54.434 0.300 1 137 17 17 GLN CB C 32.533 0.300 1 138 17 17 GLN CG C 32.974 0.300 1 139 17 17 GLN N N 122.146 0.300 1 140 17 17 GLN NE2 N 111.173 0.300 1 141 18 18 SER H H 8.699 0.030 1 142 18 18 SER HA H 5.258 0.030 1 143 18 18 SER HB2 H 3.771 0.030 2 144 18 18 SER HB3 H 3.724 0.030 2 145 18 18 SER C C 174.201 0.300 1 146 18 18 SER CA C 57.212 0.300 1 147 18 18 SER CB C 63.891 0.300 1 148 18 18 SER N N 119.494 0.300 1 149 19 19 ILE H H 9.009 0.030 1 150 19 19 ILE HA H 4.408 0.030 1 151 19 19 ILE HB H 1.502 0.030 1 152 19 19 ILE HD1 H 0.644 0.030 1 153 19 19 ILE HG12 H 1.321 0.030 2 154 19 19 ILE HG13 H 1.043 0.030 2 155 19 19 ILE HG2 H 0.741 0.030 1 156 19 19 ILE C C 173.581 0.300 1 157 19 19 ILE CA C 60.403 0.300 1 158 19 19 ILE CB C 42.039 0.300 1 159 19 19 ILE CD1 C 13.310 0.300 1 160 19 19 ILE CG1 C 27.222 0.300 1 161 19 19 ILE CG2 C 17.309 0.300 1 162 19 19 ILE N N 126.004 0.300 1 163 20 20 HIS H H 8.838 0.030 1 164 20 20 HIS HA H 5.388 0.030 1 165 20 20 HIS HB2 H 3.098 0.030 2 166 20 20 HIS HB3 H 2.978 0.030 2 167 20 20 HIS HD2 H 6.949 0.030 1 168 20 20 HIS HE1 H 7.913 0.030 1 169 20 20 HIS C C 174.047 0.300 1 170 20 20 HIS CA C 55.144 0.300 1 171 20 20 HIS CB C 31.956 0.300 1 172 20 20 HIS CD2 C 119.471 0.300 1 173 20 20 HIS CE1 C 137.230 0.300 1 174 20 20 HIS N N 128.119 0.300 1 175 21 21 ILE H H 8.899 0.030 1 176 21 21 ILE HA H 4.399 0.030 1 177 21 21 ILE HB H 1.610 0.030 1 178 21 21 ILE HD1 H 0.557 0.030 1 179 21 21 ILE HG12 H 1.456 0.030 2 180 21 21 ILE HG13 H 0.724 0.030 2 181 21 21 ILE HG2 H 1.057 0.030 1 182 21 21 ILE C C 173.460 0.300 1 183 21 21 ILE CA C 60.446 0.300 1 184 21 21 ILE CB C 40.653 0.300 1 185 21 21 ILE CD1 C 13.519 0.300 1 186 21 21 ILE CG1 C 27.036 0.300 1 187 21 21 ILE CG2 C 20.367 0.300 1 188 21 21 ILE N N 124.038 0.300 1 189 22 22 GLU H H 8.444 0.030 1 190 22 22 GLU HA H 5.157 0.030 1 191 22 22 GLU HB2 H 2.122 0.030 2 192 22 22 GLU HB3 H 1.984 0.030 2 193 22 22 GLU HG2 H 2.216 0.030 2 194 22 22 GLU HG3 H 2.271 0.030 2 195 22 22 GLU C C 175.317 0.300 1 196 22 22 GLU CA C 54.919 0.300 1 197 22 22 GLU CB C 32.789 0.300 1 198 22 22 GLU CG C 36.157 0.300 1 199 22 22 GLU N N 123.963 0.300 1 200 23 23 LYS H H 8.593 0.030 1 201 23 23 LYS HA H 4.307 0.030 1 202 23 23 LYS HB2 H 1.495 0.030 1 203 23 23 LYS HB3 H 1.495 0.030 1 204 23 23 LYS HD2 H 0.787 0.030 2 205 23 23 LYS HD3 H 1.058 0.030 2 206 23 23 LYS HE2 H 2.384 0.030 2 207 23 23 LYS HE3 H 2.430 0.030 2 208 23 23 LYS HG2 H 0.877 0.030 2 209 23 23 LYS HG3 H 1.165 0.030 2 210 23 23 LYS C C 175.853 0.300 1 211 23 23 LYS CA C 56.044 0.300 1 212 23 23 LYS CB C 34.190 0.300 1 213 23 23 LYS CD C 29.430 0.300 1 214 23 23 LYS CE C 41.769 0.300 1 215 23 23 LYS CG C 23.948 0.300 1 216 23 23 LYS N N 121.978 0.300 1 217 24 24 SER H H 8.528 0.030 1 218 24 24 SER HA H 4.492 0.030 1 219 24 24 SER HB2 H 3.977 0.030 2 220 24 24 SER HB3 H 3.902 0.030 2 221 24 24 SER C C 174.739 0.300 1 222 24 24 SER CA C 58.900 0.300 1 223 24 24 SER CB C 63.746 0.300 1 224 24 24 SER N N 116.513 0.300 1 225 25 25 ASP H H 8.437 0.030 1 226 25 25 ASP HA H 4.723 0.030 1 227 25 25 ASP HB2 H 2.804 0.030 2 228 25 25 ASP HB3 H 2.673 0.030 2 229 25 25 ASP C C 176.626 0.300 1 230 25 25 ASP CA C 54.035 0.300 1 231 25 25 ASP CB C 41.028 0.300 1 232 25 25 ASP N N 122.491 0.300 1 233 26 26 THR H H 8.176 0.030 1 234 26 26 THR HA H 4.246 0.030 1 235 26 26 THR HB H 4.344 0.030 1 236 26 26 THR HG2 H 1.214 0.030 1 237 26 26 THR C C 174.572 0.300 1 238 26 26 THR CA C 62.209 0.300 1 239 26 26 THR CB C 69.419 0.300 1 240 26 26 THR CG2 C 21.688 0.300 1 241 26 26 THR N N 112.716 0.300 1 242 27 27 ALA H H 8.183 0.030 1 243 27 27 ALA HA H 4.330 0.030 1 244 27 27 ALA HB H 1.430 0.030 1 245 27 27 ALA C C 177.819 0.300 1 246 27 27 ALA CA C 52.894 0.300 1 247 27 27 ALA CB C 19.066 0.300 1 248 27 27 ALA N N 124.434 0.300 1 249 28 28 ALA H H 7.898 0.030 1 250 28 28 ALA HA H 4.295 0.030 1 251 28 28 ALA HB H 1.358 0.030 1 252 28 28 ALA C C 177.645 0.300 1 253 28 28 ALA CA C 52.626 0.300 1 254 28 28 ALA CB C 19.790 0.300 1 255 28 28 ALA N N 120.361 0.300 1 256 29 29 ASP H H 8.002 0.030 1 257 29 29 ASP HA H 4.678 0.030 1 258 29 29 ASP HB2 H 2.580 0.030 1 259 29 29 ASP HB3 H 2.580 0.030 1 260 29 29 ASP C C 176.050 0.300 1 261 29 29 ASP CA C 54.406 0.300 1 262 29 29 ASP CB C 41.528 0.300 1 263 29 29 ASP N N 118.174 0.300 1 264 30 30 THR H H 7.996 0.030 1 265 30 30 THR HA H 4.600 0.030 1 266 30 30 THR HB H 4.386 0.030 1 267 30 30 THR HG2 H 1.158 0.030 1 268 30 30 THR C C 174.626 0.300 1 269 30 30 THR CA C 59.257 0.300 1 270 30 30 THR CB C 70.934 0.300 1 271 30 30 THR CG2 C 21.081 0.300 1 272 30 30 THR N N 111.057 0.300 1 273 31 31 TYR H H 8.842 0.030 1 274 31 31 TYR HA H 4.408 0.030 1 275 31 31 TYR HB2 H 3.214 0.030 2 276 31 31 TYR HB3 H 2.900 0.030 2 277 31 31 TYR HD1 H 7.155 0.030 1 278 31 31 TYR HD2 H 7.155 0.030 1 279 31 31 TYR HE1 H 6.626 0.030 1 280 31 31 TYR HE2 H 6.626 0.030 1 281 31 31 TYR C C 176.399 0.300 1 282 31 31 TYR CA C 61.914 0.300 1 283 31 31 TYR CB C 39.335 0.300 1 284 31 31 TYR CD1 C 131.943 0.300 1 285 31 31 TYR CD2 C 131.943 0.300 1 286 31 31 TYR CE1 C 118.931 0.300 1 287 31 31 TYR CE2 C 118.931 0.300 1 288 32 32 GLY H H 8.416 0.030 1 289 32 32 GLY HA2 H 4.029 0.030 1 290 32 32 GLY HA3 H 4.029 0.030 1 291 32 32 GLY C C 175.123 0.300 1 292 32 32 GLY CA C 47.852 0.300 1 293 32 32 GLY N N 105.386 0.300 1 294 33 33 PHE H H 7.674 0.030 1 295 33 33 PHE HA H 5.432 0.030 1 296 33 33 PHE HB2 H 3.295 0.030 2 297 33 33 PHE HB3 H 3.041 0.030 2 298 33 33 PHE HD1 H 6.915 0.030 1 299 33 33 PHE HD2 H 6.915 0.030 1 300 33 33 PHE HE1 H 6.811 0.030 1 301 33 33 PHE HE2 H 6.811 0.030 1 302 33 33 PHE HZ H 6.794 0.030 1 303 33 33 PHE C C 172.142 0.300 1 304 33 33 PHE CA C 56.235 0.300 1 305 33 33 PHE CB C 41.132 0.300 1 306 33 33 PHE CD1 C 131.901 0.300 1 307 33 33 PHE CD2 C 131.901 0.300 1 308 33 33 PHE CE1 C 129.397 0.300 1 309 33 33 PHE CE2 C 129.397 0.300 1 310 33 33 PHE CZ C 128.512 0.300 1 311 33 33 PHE N N 115.655 0.300 1 312 34 34 SER H H 8.543 0.030 1 313 34 34 SER HA H 4.808 0.030 1 314 34 34 SER HB2 H 3.924 0.030 2 315 34 34 SER HB3 H 3.812 0.030 2 316 34 34 SER C C 173.445 0.300 1 317 34 34 SER CA C 56.406 0.300 1 318 34 34 SER CB C 66.326 0.300 1 319 34 34 SER N N 113.981 0.300 1 320 35 35 LEU H H 8.755 0.030 1 321 35 35 LEU HA H 5.470 0.030 1 322 35 35 LEU HB2 H 1.751 0.030 2 323 35 35 LEU HB3 H 1.425 0.030 2 324 35 35 LEU HD1 H 0.896 0.030 1 325 35 35 LEU HD2 H 0.889 0.030 1 326 35 35 LEU HG H 1.628 0.030 1 327 35 35 LEU C C 176.617 0.300 1 328 35 35 LEU CA C 53.749 0.300 1 329 35 35 LEU CB C 45.752 0.300 1 330 35 35 LEU CD1 C 26.462 0.300 2 331 35 35 LEU CD2 C 25.629 0.300 2 332 35 35 LEU CG C 26.972 0.300 1 333 35 35 LEU N N 122.368 0.300 1 334 36 36 SER H H 9.388 0.030 1 335 36 36 SER HA H 4.740 0.030 1 336 36 36 SER HB2 H 3.754 0.030 2 337 36 36 SER HB3 H 3.668 0.030 2 338 36 36 SER C C 172.495 0.300 1 339 36 36 SER CA C 57.180 0.300 1 340 36 36 SER CB C 65.508 0.300 1 341 36 36 SER N N 116.866 0.300 1 342 37 37 SER H H 8.558 0.030 1 343 37 37 SER HA H 5.441 0.030 1 344 37 37 SER HB2 H 3.742 0.030 2 345 37 37 SER HB3 H 3.652 0.030 2 346 37 37 SER C C 174.435 0.300 1 347 37 37 SER CA C 56.563 0.300 1 348 37 37 SER CB C 64.514 0.300 1 349 37 37 SER N N 118.662 0.300 1 350 38 38 VAL H H 8.973 0.030 1 351 38 38 VAL HA H 4.497 0.030 1 352 38 38 VAL HB H 2.099 0.030 1 353 38 38 VAL HG1 H 0.964 0.030 1 354 38 38 VAL HG2 H 0.959 0.030 1 355 38 38 VAL C C 174.180 0.300 1 356 38 38 VAL CA C 60.752 0.300 1 357 38 38 VAL CB C 35.685 0.300 1 358 38 38 VAL CG1 C 21.063 0.300 2 359 38 38 VAL CG2 C 20.583 0.300 2 360 38 38 VAL N N 124.802 0.300 1 361 39 39 GLU H H 8.685 0.030 1 362 39 39 GLU HA H 5.010 0.030 1 363 39 39 GLU HB2 H 1.931 0.030 2 364 39 39 GLU HB3 H 1.829 0.030 2 365 39 39 GLU HG2 H 2.023 0.030 2 366 39 39 GLU HG3 H 1.935 0.030 2 367 39 39 GLU C C 175.529 0.300 1 368 39 39 GLU CA C 55.195 0.300 1 369 39 39 GLU CB C 31.180 0.300 1 370 39 39 GLU CG C 36.592 0.300 1 371 39 39 GLU N N 126.148 0.300 1 372 40 40 GLU H H 8.732 0.030 1 373 40 40 GLU HA H 4.560 0.030 1 374 40 40 GLU HB2 H 1.896 0.030 2 375 40 40 GLU HB3 H 1.966 0.030 2 376 40 40 GLU HG2 H 2.169 0.030 1 377 40 40 GLU HG3 H 2.169 0.030 1 378 40 40 GLU C C 175.845 0.300 1 379 40 40 GLU CA C 55.389 0.300 1 380 40 40 GLU CB C 32.283 0.300 1 381 40 40 GLU CG C 36.133 0.300 1 382 40 40 GLU N N 126.106 0.300 1 383 41 41 ASP H H 9.339 0.030 1 384 41 41 ASP HA H 4.316 0.030 1 385 41 41 ASP HB2 H 2.963 0.030 2 386 41 41 ASP HB3 H 2.631 0.030 2 387 41 41 ASP C C 175.707 0.300 1 388 41 41 ASP CA C 55.395 0.300 1 389 41 41 ASP CB C 39.946 0.300 1 390 41 41 ASP N N 126.037 0.300 1 391 42 42 GLY H H 8.594 0.030 1 392 42 42 GLY HA2 H 4.148 0.030 2 393 42 42 GLY HA3 H 3.646 0.030 2 394 42 42 GLY C C 173.788 0.300 1 395 42 42 GLY CA C 45.305 0.300 1 396 42 42 GLY N N 103.555 0.300 1 397 43 43 ILE H H 7.776 0.030 1 398 43 43 ILE HA H 4.387 0.030 1 399 43 43 ILE HB H 1.950 0.030 1 400 43 43 ILE HD1 H 0.855 0.030 1 401 43 43 ILE HG12 H 1.464 0.030 2 402 43 43 ILE HG13 H 1.182 0.030 2 403 43 43 ILE HG2 H 0.877 0.030 1 404 43 43 ILE C C 174.932 0.300 1 405 43 43 ILE CA C 59.536 0.300 1 406 43 43 ILE CB C 39.833 0.300 1 407 43 43 ILE CD1 C 12.354 0.300 1 408 43 43 ILE CG1 C 27.014 0.300 1 409 43 43 ILE CG2 C 17.347 0.300 1 410 43 43 ILE N N 121.603 0.300 1 411 44 44 ARG H H 8.740 0.030 1 412 44 44 ARG HA H 4.768 0.030 1 413 44 44 ARG HB2 H 1.785 0.030 1 414 44 44 ARG HB3 H 1.785 0.030 1 415 44 44 ARG HD2 H 3.199 0.030 2 416 44 44 ARG HD3 H 3.166 0.030 2 417 44 44 ARG HG2 H 1.611 0.030 2 418 44 44 ARG HG3 H 1.432 0.030 2 419 44 44 ARG C C 175.040 0.300 1 420 44 44 ARG CA C 56.204 0.300 1 421 44 44 ARG CB C 30.826 0.300 1 422 44 44 ARG CD C 43.278 0.300 1 423 44 44 ARG CG C 27.883 0.300 1 424 44 44 ARG N N 127.765 0.300 1 425 45 45 ARG H H 8.892 0.030 1 426 45 45 ARG HA H 4.574 0.030 1 427 45 45 ARG HB2 H 1.520 0.030 2 428 45 45 ARG HB3 H 1.466 0.030 2 429 45 45 ARG HD2 H 3.173 0.030 2 430 45 45 ARG HD3 H 3.093 0.030 2 431 45 45 ARG HE H 7.327 0.030 1 432 45 45 ARG HG2 H 1.536 0.030 2 433 45 45 ARG HG3 H 1.642 0.030 2 434 45 45 ARG C C 174.310 0.300 1 435 45 45 ARG CA C 54.426 0.300 1 436 45 45 ARG CB C 34.321 0.300 1 437 45 45 ARG CD C 43.493 0.300 1 438 45 45 ARG CG C 27.525 0.300 1 439 45 45 ARG N N 124.086 0.300 1 440 45 45 ARG NE N 85.430 0.300 1 441 46 46 LEU H H 8.377 0.030 1 442 46 46 LEU HA H 5.196 0.030 1 443 46 46 LEU HB2 H 1.652 0.030 2 444 46 46 LEU HB3 H 1.535 0.030 2 445 46 46 LEU HD1 H 0.850 0.030 1 446 46 46 LEU HD2 H 0.868 0.030 1 447 46 46 LEU HG H 1.461 0.030 1 448 46 46 LEU C C 174.704 0.300 1 449 46 46 LEU CA C 53.044 0.300 1 450 46 46 LEU CB C 45.735 0.300 1 451 46 46 LEU CD1 C 24.881 0.300 2 452 46 46 LEU CD2 C 24.967 0.300 2 453 46 46 LEU CG C 27.243 0.300 1 454 46 46 LEU N N 122.723 0.300 1 455 47 47 TYR H H 8.872 0.030 1 456 47 47 TYR HA H 5.415 0.030 1 457 47 47 TYR HB2 H 2.794 0.030 2 458 47 47 TYR HB3 H 2.578 0.030 2 459 47 47 TYR HD1 H 6.882 0.030 1 460 47 47 TYR HD2 H 6.882 0.030 1 461 47 47 TYR HE1 H 6.636 0.030 1 462 47 47 TYR HE2 H 6.636 0.030 1 463 47 47 TYR C C 175.694 0.300 1 464 47 47 TYR CA C 55.974 0.300 1 465 47 47 TYR CB C 42.696 0.300 1 466 47 47 TYR CD1 C 132.799 0.300 1 467 47 47 TYR CD2 C 132.799 0.300 1 468 47 47 TYR CE1 C 117.595 0.300 1 469 47 47 TYR CE2 C 117.595 0.300 1 470 47 47 TYR N N 119.902 0.300 1 471 48 48 VAL H H 9.143 0.030 1 472 48 48 VAL HA H 4.325 0.030 1 473 48 48 VAL HB H 2.394 0.030 1 474 48 48 VAL HG1 H 0.814 0.030 1 475 48 48 VAL HG2 H 0.849 0.030 1 476 48 48 VAL C C 176.521 0.300 1 477 48 48 VAL CA C 62.764 0.300 1 478 48 48 VAL CB C 31.499 0.300 1 479 48 48 VAL CG1 C 23.351 0.300 2 480 48 48 VAL CG2 C 22.254 0.300 2 481 48 48 VAL N N 121.045 0.300 1 482 49 49 ASN H H 9.252 0.030 1 483 49 49 ASN HA H 4.815 0.030 1 484 49 49 ASN HB2 H 2.777 0.030 2 485 49 49 ASN HB3 H 2.647 0.030 2 486 49 49 ASN HD21 H 6.878 0.030 1 487 49 49 ASN HD22 H 6.878 0.030 1 488 49 49 ASN C C 174.536 0.300 1 489 49 49 ASN CA C 54.195 0.300 1 490 49 49 ASN CB C 39.757 0.300 1 491 49 49 ASN N N 129.749 0.300 1 492 49 49 ASN ND2 N 112.823 0.300 1 493 50 50 SER H H 7.523 0.030 1 494 50 50 SER HA H 4.549 0.030 1 495 50 50 SER HB2 H 3.784 0.030 1 496 50 50 SER HB3 H 3.784 0.030 1 497 50 50 SER C C 172.169 0.300 1 498 50 50 SER CA C 57.502 0.300 1 499 50 50 SER CB C 64.608 0.300 1 500 50 50 SER N N 111.272 0.300 1 501 51 51 VAL H H 8.596 0.030 1 502 51 51 VAL HA H 4.641 0.030 1 503 51 51 VAL HB H 1.942 0.030 1 504 51 51 VAL HG1 H 0.828 0.030 1 505 51 51 VAL HG2 H 0.713 0.030 1 506 51 51 VAL C C 175.291 0.300 1 507 51 51 VAL CA C 61.081 0.300 1 508 51 51 VAL CB C 35.150 0.300 1 509 51 51 VAL CG1 C 21.636 0.300 2 510 51 51 VAL CG2 C 21.636 0.300 2 511 51 51 VAL N N 119.566 0.300 1 512 52 52 LYS H H 8.373 0.030 1 513 52 52 LYS HA H 4.408 0.030 1 514 52 52 LYS HB2 H 1.851 0.030 2 515 52 52 LYS HB3 H 1.791 0.030 2 516 52 52 LYS HD2 H 1.676 0.030 1 517 52 52 LYS HD3 H 1.676 0.030 1 518 52 52 LYS HE2 H 2.986 0.030 1 519 52 52 LYS HE3 H 2.986 0.030 1 520 52 52 LYS HG2 H 1.405 0.030 2 521 52 52 LYS HG3 H 1.512 0.030 2 522 52 52 LYS C C 178.839 0.300 1 523 52 52 LYS CA C 55.758 0.300 1 524 52 52 LYS CB C 32.975 0.300 1 525 52 52 LYS CD C 29.028 0.300 1 526 52 52 LYS CE C 42.046 0.300 1 527 52 52 LYS CG C 24.684 0.300 1 528 52 52 LYS N N 126.543 0.300 1 529 53 53 GLU H H 7.691 0.030 1 530 53 53 GLU HA H 4.193 0.030 1 531 53 53 GLU HB2 H 2.134 0.030 2 532 53 53 GLU HB3 H 2.175 0.030 2 533 53 53 GLU HG2 H 2.420 0.030 1 534 53 53 GLU HG3 H 2.420 0.030 1 535 53 53 GLU CA C 59.602 0.300 1 536 53 53 GLU CB C 29.446 0.300 1 537 53 53 GLU CG C 36.298 0.300 1 538 54 54 THR HA H 4.368 0.030 1 539 54 54 THR HB H 4.577 0.030 1 540 54 54 THR HG2 H 1.245 0.030 1 541 54 54 THR C C 174.863 0.300 1 542 54 54 THR CA C 61.985 0.300 1 543 54 54 THR CB C 69.121 0.300 1 544 54 54 THR CG2 C 22.031 0.300 1 545 55 55 GLY H H 7.683 0.030 1 546 55 55 GLY HA2 H 4.385 0.030 2 547 55 55 GLY HA3 H 3.994 0.030 2 548 55 55 GLY C C 174.183 0.300 1 549 55 55 GLY CA C 45.028 0.300 1 550 55 55 GLY N N 107.911 0.300 1 551 56 56 LEU H H 8.571 0.030 1 552 56 56 LEU HA H 4.057 0.030 1 553 56 56 LEU HB2 H 1.867 0.030 2 554 56 56 LEU HB3 H 1.537 0.030 2 555 56 56 LEU HD1 H 0.912 0.030 1 556 56 56 LEU HD2 H 0.997 0.030 1 557 56 56 LEU HG H 1.896 0.030 1 558 56 56 LEU C C 179.661 0.300 1 559 56 56 LEU CA C 57.794 0.300 1 560 56 56 LEU CB C 43.222 0.300 1 561 56 56 LEU CD1 C 26.144 0.300 2 562 56 56 LEU CD2 C 23.092 0.300 2 563 56 56 LEU CG C 26.983 0.300 1 564 56 56 LEU N N 117.067 0.300 1 565 57 57 ALA H H 8.314 0.030 1 566 57 57 ALA HA H 3.907 0.030 1 567 57 57 ALA HB H 1.333 0.030 1 568 57 57 ALA C C 179.569 0.300 1 569 57 57 ALA CA C 55.523 0.300 1 570 57 57 ALA CB C 18.496 0.300 1 571 57 57 ALA N N 119.717 0.300 1 572 58 58 SER H H 8.864 0.030 1 573 58 58 SER HA H 4.204 0.030 1 574 58 58 SER HB2 H 3.986 0.030 2 575 58 58 SER HB3 H 3.941 0.030 2 576 58 58 SER C C 179.371 0.300 1 577 58 58 SER CA C 60.560 0.300 1 578 58 58 SER CB C 63.068 0.300 1 579 58 58 SER N N 114.078 0.300 1 580 59 59 LYS H H 7.663 0.030 1 581 59 59 LYS HA H 4.181 0.030 1 582 59 59 LYS HB2 H 2.020 0.030 1 583 59 59 LYS HB3 H 2.020 0.030 1 584 59 59 LYS HD2 H 1.673 0.030 2 585 59 59 LYS HD3 H 1.732 0.030 2 586 59 59 LYS HE2 H 2.990 0.030 1 587 59 59 LYS HE3 H 2.990 0.030 1 588 59 59 LYS HG2 H 1.552 0.030 2 589 59 59 LYS HG3 H 1.671 0.030 2 590 59 59 LYS C C 178.230 0.300 1 591 59 59 LYS CA C 58.555 0.300 1 592 59 59 LYS CB C 32.158 0.300 1 593 59 59 LYS CD C 29.065 0.300 1 594 59 59 LYS CE C 42.190 0.300 1 595 59 59 LYS CG C 25.400 0.300 1 596 59 59 LYS N N 120.236 0.300 1 597 60 60 LYS H H 7.409 0.030 1 598 60 60 LYS HA H 4.481 0.030 1 599 60 60 LYS HB2 H 2.065 0.030 2 600 60 60 LYS HB3 H 1.754 0.030 2 601 60 60 LYS HD2 H 1.718 0.030 2 602 60 60 LYS HD3 H 1.843 0.030 2 603 60 60 LYS HE2 H 3.147 0.030 2 604 60 60 LYS HE3 H 3.234 0.030 2 605 60 60 LYS HG2 H 1.562 0.030 2 606 60 60 LYS HG3 H 1.659 0.030 2 607 60 60 LYS C C 176.216 0.300 1 608 60 60 LYS CA C 53.940 0.300 1 609 60 60 LYS CB C 31.826 0.300 1 610 60 60 LYS CD C 27.664 0.300 1 611 60 60 LYS CE C 42.235 0.300 1 612 60 60 LYS CG C 24.483 0.300 1 613 60 60 LYS N N 115.928 0.300 1 614 61 61 GLY H H 7.715 0.030 1 615 61 61 GLY HA2 H 4.242 0.030 2 616 61 61 GLY HA3 H 3.725 0.030 2 617 61 61 GLY C C 174.519 0.300 1 618 61 61 GLY CA C 45.394 0.300 1 619 61 61 GLY N N 105.573 0.300 1 620 62 62 LEU H H 7.493 0.030 1 621 62 62 LEU HA H 4.050 0.030 1 622 62 62 LEU HB2 H 1.251 0.030 2 623 62 62 LEU HB3 H 0.872 0.030 2 624 62 62 LEU HD1 H 0.097 0.030 1 625 62 62 LEU HD2 H 0.628 0.030 1 626 62 62 LEU HG H 1.367 0.030 1 627 62 62 LEU C C 174.925 0.300 1 628 62 62 LEU CA C 55.403 0.300 1 629 62 62 LEU CB C 43.576 0.300 1 630 62 62 LEU CD1 C 25.618 0.300 2 631 62 62 LEU CD2 C 24.545 0.300 2 632 62 62 LEU CG C 26.837 0.300 1 633 62 62 LEU N N 122.770 0.300 1 634 63 63 LYS H H 8.524 0.030 1 635 63 63 LYS HA H 4.565 0.030 1 636 63 63 LYS HB2 H 1.867 0.030 2 637 63 63 LYS HB3 H 1.657 0.030 2 638 63 63 LYS HD2 H 1.660 0.030 2 639 63 63 LYS HD3 H 1.731 0.030 2 640 63 63 LYS HE2 H 3.040 0.030 1 641 63 63 LYS HE3 H 3.040 0.030 1 642 63 63 LYS HG2 H 1.405 0.030 1 643 63 63 LYS HG3 H 1.405 0.030 1 644 63 63 LYS C C 175.562 0.300 1 645 63 63 LYS CA C 54.547 0.300 1 646 63 63 LYS CB C 35.423 0.300 1 647 63 63 LYS CD C 29.116 0.300 1 648 63 63 LYS CE C 41.951 0.300 1 649 63 63 LYS CG C 23.798 0.300 1 650 63 63 LYS N N 123.609 0.300 1 651 64 64 ALA H H 8.551 0.030 1 652 64 64 ALA HA H 3.741 0.030 1 653 64 64 ALA HB H 1.307 0.030 1 654 64 64 ALA C C 178.477 0.300 1 655 64 64 ALA CA C 53.389 0.300 1 656 64 64 ALA CB C 17.610 0.300 1 657 64 64 ALA N N 122.723 0.300 1 658 65 65 GLY H H 9.148 0.030 1 659 65 65 GLY HA2 H 4.477 0.030 2 660 65 65 GLY HA3 H 3.620 0.030 2 661 65 65 GLY C C 174.678 0.300 1 662 65 65 GLY CA C 44.741 0.300 1 663 65 65 GLY N N 112.652 0.300 1 664 66 66 ASP H H 7.951 0.030 1 665 66 66 ASP HA H 4.722 0.030 1 666 66 66 ASP HB2 H 2.684 0.030 2 667 66 66 ASP HB3 H 2.327 0.030 2 668 66 66 ASP C C 175.075 0.300 1 669 66 66 ASP CA C 56.055 0.300 1 670 66 66 ASP CB C 40.523 0.300 1 671 66 66 ASP N N 122.589 0.300 1 672 67 67 GLU H H 8.561 0.030 1 673 67 67 GLU HA H 4.721 0.030 1 674 67 67 GLU HB2 H 1.926 0.030 2 675 67 67 GLU HB3 H 1.996 0.030 2 676 67 67 GLU HG2 H 1.925 0.030 2 677 67 67 GLU HG3 H 1.757 0.030 2 678 67 67 GLU C C 175.716 0.300 1 679 67 67 GLU CA C 54.444 0.300 1 680 67 67 GLU CB C 31.911 0.300 1 681 67 67 GLU CG C 35.664 0.300 1 682 67 67 GLU N N 122.282 0.300 1 683 68 68 ILE H H 8.799 0.030 1 684 68 68 ILE HA H 4.219 0.030 1 685 68 68 ILE HB H 1.810 0.030 1 686 68 68 ILE HD1 H 0.591 0.030 1 687 68 68 ILE HG12 H 1.248 0.030 2 688 68 68 ILE HG13 H 1.142 0.030 2 689 68 68 ILE HG2 H 0.708 0.030 1 690 68 68 ILE C C 174.818 0.300 1 691 68 68 ILE CA C 59.210 0.300 1 692 68 68 ILE CB C 36.778 0.300 1 693 68 68 ILE CD1 C 12.019 0.300 1 694 68 68 ILE CG1 C 27.468 0.300 1 695 68 68 ILE CG2 C 18.935 0.300 1 696 68 68 ILE N N 126.573 0.300 1 697 69 69 LEU H H 9.209 0.030 1 698 69 69 LEU HA H 4.453 0.030 1 699 69 69 LEU HB2 H 1.605 0.030 2 700 69 69 LEU HB3 H 1.488 0.030 2 701 69 69 LEU HD1 H 0.762 0.030 1 702 69 69 LEU HD2 H 0.714 0.030 1 703 69 69 LEU HG H 1.512 0.030 1 704 69 69 LEU C C 178.882 0.300 1 705 69 69 LEU CA C 55.964 0.300 1 706 69 69 LEU CB C 42.674 0.300 1 707 69 69 LEU CD1 C 25.589 0.300 2 708 69 69 LEU CD2 C 21.930 0.300 2 709 69 69 LEU CG C 27.235 0.300 1 710 69 69 LEU N N 126.968 0.300 1 711 70 70 GLU H H 7.724 0.030 1 712 70 70 GLU HA H 5.077 0.030 1 713 70 70 GLU HB2 H 1.546 0.030 2 714 70 70 GLU HB3 H 1.779 0.030 2 715 70 70 GLU HG2 H 1.985 0.030 1 716 70 70 GLU HG3 H 1.985 0.030 1 717 70 70 GLU C C 175.123 0.300 1 718 70 70 GLU CA C 54.792 0.300 1 719 70 70 GLU CB C 35.783 0.300 1 720 70 70 GLU CG C 36.048 0.300 1 721 70 70 GLU N N 116.604 0.300 1 722 71 71 ILE H H 8.569 0.030 1 723 71 71 ILE HA H 4.656 0.030 1 724 71 71 ILE HB H 1.502 0.030 1 725 71 71 ILE HD1 H 0.697 0.030 1 726 71 71 ILE HG12 H 1.352 0.030 2 727 71 71 ILE HG13 H 0.840 0.030 2 728 71 71 ILE HG2 H 0.644 0.030 1 729 71 71 ILE C C 175.048 0.300 1 730 71 71 ILE CA C 60.366 0.300 1 731 71 71 ILE CB C 39.858 0.300 1 732 71 71 ILE CD1 C 13.363 0.300 1 733 71 71 ILE CG1 C 27.292 0.300 1 734 71 71 ILE CG2 C 17.645 0.300 1 735 71 71 ILE N N 118.806 0.300 1 736 72 72 ASN H H 9.648 0.030 1 737 72 72 ASN HA H 4.176 0.030 1 738 72 72 ASN HB2 H 2.692 0.030 2 739 72 72 ASN HB3 H 2.259 0.030 2 740 72 72 ASN HD21 H 7.652 0.030 2 741 72 72 ASN HD22 H 5.004 0.030 2 742 72 72 ASN C C 174.700 0.300 1 743 72 72 ASN CA C 53.701 0.300 1 744 72 72 ASN CB C 36.292 0.300 1 745 72 72 ASN N N 126.491 0.300 1 746 72 72 ASN ND2 N 111.793 0.300 1 747 73 73 ASN H H 8.844 0.030 1 748 73 73 ASN HA H 4.216 0.030 1 749 73 73 ASN HB2 H 3.033 0.030 1 750 73 73 ASN HB3 H 3.033 0.030 1 751 73 73 ASN HD21 H 7.567 0.030 2 752 73 73 ASN HD22 H 6.822 0.030 2 753 73 73 ASN C C 173.791 0.300 1 754 73 73 ASN CA C 54.935 0.300 1 755 73 73 ASN CB C 37.403 0.300 1 756 73 73 ASN N N 106.640 0.300 1 757 73 73 ASN ND2 N 113.134 0.300 1 758 74 74 ARG H H 8.107 0.030 1 759 74 74 ARG HA H 4.612 0.030 1 760 74 74 ARG HB2 H 2.106 0.030 2 761 74 74 ARG HB3 H 1.868 0.030 2 762 74 74 ARG HD2 H 3.262 0.030 1 763 74 74 ARG HD3 H 3.262 0.030 1 764 74 74 ARG HG2 H 1.775 0.030 2 765 74 74 ARG HG3 H 1.825 0.030 2 766 74 74 ARG C C 174.814 0.300 1 767 74 74 ARG CA C 53.985 0.300 1 768 74 74 ARG CB C 31.276 0.300 1 769 74 74 ARG CD C 43.161 0.300 1 770 74 74 ARG CG C 26.951 0.300 1 771 74 74 ARG N N 120.222 0.300 1 772 75 75 ALA H H 8.541 0.030 1 773 75 75 ALA HA H 4.404 0.030 1 774 75 75 ALA HB H 1.562 0.030 1 775 75 75 ALA C C 178.551 0.300 1 776 75 75 ALA CA C 52.616 0.300 1 777 75 75 ALA CB C 19.201 0.300 1 778 75 75 ALA N N 126.047 0.300 1 779 76 76 ALA H H 7.891 0.030 1 780 76 76 ALA HA H 3.846 0.030 1 781 76 76 ALA HB H 1.373 0.030 1 782 76 76 ALA C C 178.666 0.300 1 783 76 76 ALA CA C 55.218 0.300 1 784 76 76 ALA CB C 19.167 0.300 1 785 76 76 ALA N N 122.538 0.300 1 786 77 77 ASP H H 8.427 0.030 1 787 77 77 ASP HA H 4.363 0.030 1 788 77 77 ASP HB2 H 2.885 0.030 2 789 77 77 ASP HB3 H 2.684 0.030 2 790 77 77 ASP C C 176.312 0.300 1 791 77 77 ASP CA C 55.565 0.300 1 792 77 77 ASP CB C 40.520 0.300 1 793 77 77 ASP N N 113.473 0.300 1 794 78 78 ALA H H 7.636 0.030 1 795 78 78 ALA HA H 4.506 0.030 1 796 78 78 ALA HB H 1.494 0.030 1 797 78 78 ALA C C 177.554 0.300 1 798 78 78 ALA CA C 51.387 0.300 1 799 78 78 ALA CB C 19.408 0.300 1 800 78 78 ALA N N 120.905 0.300 1 801 79 79 LEU H H 7.176 0.030 1 802 79 79 LEU HA H 4.599 0.030 1 803 79 79 LEU HB2 H 1.875 0.030 2 804 79 79 LEU HB3 H 1.220 0.030 2 805 79 79 LEU HD1 H 0.826 0.030 1 806 79 79 LEU HD2 H 0.824 0.030 1 807 79 79 LEU HG H 1.919 0.030 1 808 79 79 LEU C C 175.811 0.300 1 809 79 79 LEU CA C 54.283 0.300 1 810 79 79 LEU CB C 42.911 0.300 1 811 79 79 LEU CD1 C 26.656 0.300 2 812 79 79 LEU CD2 C 24.758 0.300 2 813 79 79 LEU CG C 25.951 0.300 1 814 79 79 LEU N N 119.018 0.300 1 815 80 80 ASN H H 7.342 0.030 1 816 80 80 ASN HA H 4.818 0.030 1 817 80 80 ASN HB2 H 2.922 0.030 2 818 80 80 ASN HB3 H 3.279 0.030 2 819 80 80 ASN HD21 H 7.079 0.030 2 820 80 80 ASN HD22 H 7.656 0.030 2 821 80 80 ASN C C 175.591 0.300 1 822 80 80 ASN CA C 51.404 0.300 1 823 80 80 ASN CB C 39.479 0.300 1 824 80 80 ASN N N 119.554 0.300 1 825 80 80 ASN ND2 N 112.925 0.300 1 826 81 81 SER H H 7.669 0.030 1 827 81 81 SER HA H 4.048 0.030 1 828 81 81 SER HB2 H 3.949 0.030 1 829 81 81 SER HB3 H 3.949 0.030 1 830 81 81 SER CA C 62.150 0.300 1 831 81 81 SER CB C 62.554 0.300 1 832 82 82 SER H H 8.186 0.030 1 833 82 82 SER HA H 4.196 0.030 1 834 82 82 SER HB2 H 3.915 0.030 1 835 82 82 SER HB3 H 3.915 0.030 1 836 82 82 SER C C 176.484 0.300 1 837 82 82 SER CA C 61.613 0.300 1 838 82 82 SER CB C 62.250 0.300 1 839 83 83 MET H H 8.180 0.030 1 840 83 83 MET HA H 3.959 0.030 1 841 83 83 MET HB2 H 1.909 0.030 2 842 83 83 MET HB3 H 1.620 0.030 2 843 83 83 MET HE H 2.097 0.030 1 844 83 83 MET HG2 H 2.489 0.030 2 845 83 83 MET HG3 H 2.170 0.030 2 846 83 83 MET C C 177.735 0.300 1 847 83 83 MET CA C 58.204 0.300 1 848 83 83 MET CB C 33.876 0.300 1 849 83 83 MET CE C 17.289 0.300 1 850 83 83 MET CG C 31.789 0.300 1 851 83 83 MET N N 122.542 0.300 1 852 84 84 LEU H H 7.936 0.030 1 853 84 84 LEU HA H 3.868 0.030 1 854 84 84 LEU HB2 H 1.726 0.030 2 855 84 84 LEU HB3 H 1.551 0.030 2 856 84 84 LEU HD1 H 0.834 0.030 1 857 84 84 LEU HD2 H 0.834 0.030 1 858 84 84 LEU HG H 1.684 0.030 1 859 84 84 LEU C C 177.887 0.300 1 860 84 84 LEU CA C 58.411 0.300 1 861 84 84 LEU CB C 41.653 0.300 1 862 84 84 LEU CD1 C 24.745 0.300 2 863 84 84 LEU CD2 C 24.780 0.300 2 864 84 84 LEU CG C 26.786 0.300 1 865 84 84 LEU N N 117.673 0.300 1 866 85 85 LYS H H 7.659 0.030 1 867 85 85 LYS HA H 3.937 0.030 1 868 85 85 LYS HB2 H 1.921 0.030 1 869 85 85 LYS HB3 H 1.921 0.030 1 870 85 85 LYS HD2 H 1.695 0.030 1 871 85 85 LYS HD3 H 1.695 0.030 1 872 85 85 LYS HE2 H 2.983 0.030 1 873 85 85 LYS HE3 H 2.983 0.030 1 874 85 85 LYS HG2 H 1.433 0.030 2 875 85 85 LYS HG3 H 1.559 0.030 2 876 85 85 LYS C C 179.460 0.300 1 877 85 85 LYS CA C 59.618 0.300 1 878 85 85 LYS CB C 32.076 0.300 1 879 85 85 LYS CD C 29.337 0.300 1 880 85 85 LYS CE C 42.055 0.300 1 881 85 85 LYS CG C 24.884 0.300 1 882 85 85 LYS N N 117.536 0.300 1 883 86 86 ASP H H 7.721 0.030 1 884 86 86 ASP HA H 4.420 0.030 1 885 86 86 ASP HB2 H 2.740 0.030 1 886 86 86 ASP HB3 H 2.740 0.030 1 887 86 86 ASP C C 180.127 0.300 1 888 86 86 ASP CA C 57.283 0.300 1 889 86 86 ASP CB C 40.656 0.300 1 890 86 86 ASP N N 119.339 0.300 1 891 87 87 PHE H H 8.783 0.030 1 892 87 87 PHE HA H 4.603 0.030 1 893 87 87 PHE HB2 H 3.309 0.030 2 894 87 87 PHE HB3 H 2.982 0.030 2 895 87 87 PHE HD1 H 7.086 0.030 1 896 87 87 PHE HD2 H 7.086 0.030 1 897 87 87 PHE HE1 H 7.391 0.030 1 898 87 87 PHE HE2 H 7.391 0.030 1 899 87 87 PHE HZ H 7.272 0.030 1 900 87 87 PHE C C 179.110 0.300 1 901 87 87 PHE CA C 58.142 0.300 1 902 87 87 PHE CB C 36.900 0.300 1 903 87 87 PHE CD1 C 129.605 0.300 1 904 87 87 PHE CD2 C 129.605 0.300 1 905 87 87 PHE CE1 C 131.396 0.300 1 906 87 87 PHE CE2 C 131.396 0.300 1 907 87 87 PHE CZ C 129.262 0.300 1 908 87 87 PHE N N 119.434 0.300 1 909 88 88 LEU H H 8.322 0.030 1 910 88 88 LEU HA H 4.350 0.030 1 911 88 88 LEU HB2 H 1.912 0.030 2 912 88 88 LEU HB3 H 1.829 0.030 2 913 88 88 LEU HD1 H 0.817 0.030 1 914 88 88 LEU HD2 H 0.679 0.030 1 915 88 88 LEU HG H 1.832 0.030 1 916 88 88 LEU C C 176.784 0.300 1 917 88 88 LEU CA C 57.129 0.300 1 918 88 88 LEU CB C 40.751 0.300 1 919 88 88 LEU CD1 C 24.707 0.300 2 920 88 88 LEU CD2 C 23.102 0.300 2 921 88 88 LEU CG C 28.326 0.300 1 922 88 88 LEU N N 117.401 0.300 1 923 89 89 SER H H 7.782 0.030 1 924 89 89 SER HA H 4.707 0.030 1 925 89 89 SER HB2 H 4.171 0.030 2 926 89 89 SER HB3 H 4.064 0.030 2 927 89 89 SER C C 174.948 0.300 1 928 89 89 SER CA C 58.743 0.300 1 929 89 89 SER CB C 64.533 0.300 1 930 89 89 SER N N 112.590 0.300 1 931 90 90 GLN H H 7.499 0.030 1 932 90 90 GLN HA H 4.647 0.030 1 933 90 90 GLN HB2 H 2.436 0.030 2 934 90 90 GLN HB3 H 2.605 0.030 2 935 90 90 GLN HE21 H 6.827 0.030 2 936 90 90 GLN HE22 H 7.533 0.030 2 937 90 90 GLN HG2 H 2.882 0.030 1 938 90 90 GLN HG3 H 2.882 0.030 1 939 90 90 GLN C C 176.557 0.300 1 940 90 90 GLN CA C 54.632 0.300 1 941 90 90 GLN CB C 28.243 0.300 1 942 90 90 GLN CG C 33.772 0.300 1 943 90 90 GLN N N 122.417 0.300 1 944 90 90 GLN NE2 N 112.841 0.300 1 945 91 91 PRO HA H 4.408 0.030 1 946 91 91 PRO HB2 H 2.283 0.030 2 947 91 91 PRO HB3 H 2.253 0.030 2 948 91 91 PRO HD2 H 3.973 0.030 2 949 91 91 PRO HD3 H 3.845 0.030 2 950 91 91 PRO HG2 H 2.099 0.030 1 951 91 91 PRO HG3 H 2.099 0.030 1 952 91 91 PRO C C 174.606 0.300 1 953 91 91 PRO CA C 65.097 0.300 1 954 91 91 PRO CB C 32.156 0.300 1 955 91 91 PRO CD C 50.946 0.300 1 956 91 91 PRO CG C 27.092 0.300 1 957 92 92 SER H H 7.223 0.030 1 958 92 92 SER HA H 5.246 0.030 1 959 92 92 SER HB2 H 3.874 0.030 2 960 92 92 SER HB3 H 3.779 0.030 2 961 92 92 SER C C 172.910 0.300 1 962 92 92 SER CA C 57.621 0.300 1 963 92 92 SER CB C 65.587 0.300 1 964 92 92 SER N N 112.571 0.300 1 965 93 93 LEU H H 8.842 0.030 1 966 93 93 LEU HA H 4.590 0.030 1 967 93 93 LEU HB2 H 1.143 0.030 2 968 93 93 LEU HB3 H 1.076 0.030 2 969 93 93 LEU HD1 H 0.385 0.030 1 970 93 93 LEU HD2 H 0.607 0.030 1 971 93 93 LEU HG H 1.094 0.030 1 972 93 93 LEU C C 173.851 0.300 1 973 93 93 LEU CA C 54.594 0.300 1 974 93 93 LEU CB C 46.525 0.300 1 975 93 93 LEU CD1 C 25.803 0.300 2 976 93 93 LEU CD2 C 24.653 0.300 2 977 93 93 LEU CG C 26.613 0.300 1 978 93 93 LEU N N 124.642 0.300 1 979 94 94 GLY H H 8.420 0.030 1 980 94 94 GLY HA2 H 4.896 0.030 2 981 94 94 GLY HA3 H 3.544 0.030 2 982 94 94 GLY C C 172.969 0.300 1 983 94 94 GLY CA C 44.642 0.300 1 984 94 94 GLY N N 112.915 0.300 1 985 95 95 LEU H H 9.054 0.030 1 986 95 95 LEU HA H 5.097 0.030 1 987 95 95 LEU HB2 H 1.643 0.030 2 988 95 95 LEU HB3 H 1.159 0.030 2 989 95 95 LEU HD1 H 0.425 0.030 1 990 95 95 LEU HD2 H 0.759 0.030 1 991 95 95 LEU HG H 1.351 0.030 1 992 95 95 LEU C C 175.440 0.300 1 993 95 95 LEU CA C 53.289 0.300 1 994 95 95 LEU CB C 46.294 0.300 1 995 95 95 LEU CD1 C 26.281 0.300 2 996 95 95 LEU CD2 C 24.701 0.300 2 997 95 95 LEU CG C 26.581 0.300 1 998 95 95 LEU N N 123.178 0.300 1 999 96 96 LEU H H 8.374 0.030 1 1000 96 96 LEU HA H 5.081 0.030 1 1001 96 96 LEU HB2 H 1.738 0.030 2 1002 96 96 LEU HB3 H 1.342 0.030 2 1003 96 96 LEU HD1 H 0.763 0.030 1 1004 96 96 LEU HD2 H 0.798 0.030 1 1005 96 96 LEU HG H 1.249 0.030 1 1006 96 96 LEU C C 175.870 0.300 1 1007 96 96 LEU CA C 54.570 0.300 1 1008 96 96 LEU CB C 44.667 0.300 1 1009 96 96 LEU CD1 C 25.515 0.300 2 1010 96 96 LEU CD2 C 23.093 0.300 2 1011 96 96 LEU CG C 27.440 0.300 1 1012 96 96 LEU N N 125.674 0.300 1 1013 97 97 VAL H H 9.133 0.030 1 1014 97 97 VAL HA H 5.243 0.030 1 1015 97 97 VAL HB H 1.945 0.030 1 1016 97 97 VAL HG1 H 0.733 0.030 1 1017 97 97 VAL HG2 H 0.758 0.030 1 1018 97 97 VAL C C 174.089 0.300 1 1019 97 97 VAL CA C 59.456 0.300 1 1020 97 97 VAL CB C 35.363 0.300 1 1021 97 97 VAL CG1 C 20.267 0.300 2 1022 97 97 VAL CG2 C 21.636 0.300 2 1023 97 97 VAL N N 123.868 0.300 1 1024 98 98 ARG H H 9.159 0.030 1 1025 98 98 ARG HA H 5.146 0.030 1 1026 98 98 ARG HB2 H 1.838 0.030 2 1027 98 98 ARG HB3 H 1.520 0.030 2 1028 98 98 ARG HD2 H 3.115 0.030 1 1029 98 98 ARG HD3 H 3.115 0.030 1 1030 98 98 ARG HG2 H 1.497 0.030 2 1031 98 98 ARG HG3 H 1.450 0.030 2 1032 98 98 ARG C C 175.218 0.300 1 1033 98 98 ARG CA C 54.903 0.300 1 1034 98 98 ARG CB C 32.581 0.300 1 1035 98 98 ARG CD C 43.701 0.300 1 1036 98 98 ARG CG C 27.228 0.300 1 1037 98 98 ARG N N 124.167 0.300 1 1038 99 99 THR H H 8.777 0.030 1 1039 99 99 THR HA H 4.711 0.030 1 1040 99 99 THR HB H 3.749 0.030 1 1041 99 99 THR HG2 H 0.934 0.030 1 1042 99 99 THR C C 172.722 0.300 1 1043 99 99 THR CA C 59.706 0.300 1 1044 99 99 THR CB C 69.930 0.300 1 1045 99 99 THR CG2 C 19.145 0.300 1 1046 99 99 THR N N 121.393 0.300 1 1047 100 100 TYR H H 8.338 0.030 1 1048 100 100 TYR HA H 4.968 0.030 1 1049 100 100 TYR HB2 H 3.104 0.030 2 1050 100 100 TYR HB3 H 2.826 0.030 2 1051 100 100 TYR HD1 H 7.242 0.030 1 1052 100 100 TYR HD2 H 7.242 0.030 1 1053 100 100 TYR HE1 H 6.886 0.030 1 1054 100 100 TYR HE2 H 6.886 0.030 1 1055 100 100 TYR C C 174.240 0.300 1 1056 100 100 TYR CA C 56.001 0.300 1 1057 100 100 TYR CB C 38.514 0.300 1 1058 100 100 TYR CD1 C 133.420 0.300 1 1059 100 100 TYR CD2 C 133.420 0.300 1 1060 100 100 TYR CE1 C 118.181 0.300 1 1061 100 100 TYR CE2 C 118.181 0.300 1 1062 100 100 TYR N N 122.734 0.300 1 1063 101 101 PRO HA H 4.447 0.030 1 1064 101 101 PRO HB2 H 2.225 0.030 2 1065 101 101 PRO HB3 H 1.943 0.030 2 1066 101 101 PRO HD2 H 3.848 0.030 2 1067 101 101 PRO HD3 H 3.790 0.030 2 1068 101 101 PRO HG2 H 2.022 0.030 1 1069 101 101 PRO HG3 H 2.022 0.030 1 1070 101 101 PRO C C 176.435 0.300 1 1071 101 101 PRO CA C 62.718 0.300 1 1072 101 101 PRO CB C 32.121 0.300 1 1073 101 101 PRO CD C 50.775 0.300 1 1074 101 101 PRO CG C 27.243 0.300 1 1075 102 102 GLU H H 8.492 0.030 1 1076 102 102 GLU HA H 4.282 0.030 1 1077 102 102 GLU HB2 H 2.037 0.030 2 1078 102 102 GLU HB3 H 1.924 0.030 2 1079 102 102 GLU HG2 H 2.262 0.030 1 1080 102 102 GLU HG3 H 2.262 0.030 1 1081 102 102 GLU C C 176.380 0.300 1 1082 102 102 GLU CA C 56.282 0.300 1 1083 102 102 GLU CB C 30.322 0.300 1 1084 102 102 GLU CG C 36.306 0.300 1 1085 102 102 GLU N N 121.094 0.300 1 1086 103 103 LEU H H 8.333 0.030 1 1087 103 103 LEU HA H 4.373 0.030 1 1088 103 103 LEU HB2 H 1.643 0.030 2 1089 103 103 LEU HB3 H 1.571 0.030 2 1090 103 103 LEU HD1 H 0.919 0.030 1 1091 103 103 LEU HD2 H 0.869 0.030 1 1092 103 103 LEU HG H 1.629 0.030 1 1093 103 103 LEU C C 177.200 0.300 1 1094 103 103 LEU CA C 54.935 0.300 1 1095 103 103 LEU CB C 42.539 0.300 1 1096 103 103 LEU CD1 C 24.921 0.300 2 1097 103 103 LEU CD2 C 23.500 0.300 2 1098 103 103 LEU CG C 26.945 0.300 1 1099 103 103 LEU N N 124.065 0.300 1 1100 104 104 GLU H H 8.449 0.030 1 1101 104 104 GLU HA H 4.293 0.030 1 1102 104 104 GLU HB2 H 2.043 0.030 2 1103 104 104 GLU HB3 H 1.923 0.030 2 1104 104 104 GLU HG2 H 2.261 0.030 1 1105 104 104 GLU HG3 H 2.261 0.030 1 1106 104 104 GLU C C 176.276 0.300 1 1107 104 104 GLU CA C 56.302 0.300 1 1108 104 104 GLU CB C 30.371 0.300 1 1109 104 104 GLU CG C 36.267 0.300 1 1110 104 104 GLU N N 122.641 0.300 1 1111 105 105 GLU H H 8.493 0.030 1 1112 105 105 GLU HA H 4.275 0.030 1 1113 105 105 GLU HB2 H 2.044 0.030 2 1114 105 105 GLU HB3 H 1.960 0.030 2 1115 105 105 GLU HG2 H 2.308 0.030 1 1116 105 105 GLU HG3 H 2.308 0.030 1 1117 105 105 GLU C C 177.053 0.300 1 1118 105 105 GLU CA C 56.730 0.300 1 1119 105 105 GLU CB C 30.342 0.300 1 1120 105 105 GLU CG C 36.273 0.300 1 1121 105 105 GLU N N 122.723 0.300 1 1122 106 106 GLY H H 8.529 0.030 1 1123 106 106 GLY HA2 H 3.973 0.030 1 1124 106 106 GLY HA3 H 3.973 0.030 1 1125 106 106 GLY C C 174.157 0.300 1 1126 106 106 GLY CA C 45.398 0.300 1 1127 106 106 GLY N N 110.568 0.300 1 1128 107 107 VAL H H 7.921 0.030 1 1129 107 107 VAL HA H 4.152 0.030 1 1130 107 107 VAL HB H 2.092 0.030 1 1131 107 107 VAL HG1 H 0.934 0.030 1 1132 107 107 VAL HG2 H 0.909 0.030 1 1133 107 107 VAL C C 176.310 0.300 1 1134 107 107 VAL CA C 62.142 0.300 1 1135 107 107 VAL CB C 32.805 0.300 1 1136 107 107 VAL CG1 C 21.129 0.300 2 1137 107 107 VAL CG2 C 20.440 0.300 2 1138 107 107 VAL N N 119.044 0.300 1 1139 108 108 GLU H H 8.594 0.030 1 1140 108 108 GLU HA H 4.352 0.030 1 1141 108 108 GLU HB2 H 2.068 0.030 2 1142 108 108 GLU HB3 H 1.956 0.030 2 1143 108 108 GLU HG2 H 2.272 0.030 2 1144 108 108 GLU HG3 H 2.236 0.030 2 1145 108 108 GLU C C 176.428 0.300 1 1146 108 108 GLU CA C 56.507 0.300 1 1147 108 108 GLU CB C 30.153 0.300 1 1148 108 108 GLU CG C 36.180 0.300 1 1149 108 108 GLU N N 124.771 0.300 1 1150 109 109 SER H H 8.391 0.030 1 1151 109 109 SER HA H 4.485 0.030 1 1152 109 109 SER HB2 H 3.876 0.030 1 1153 109 109 SER HB3 H 3.876 0.030 1 1154 109 109 SER C C 174.608 0.300 1 1155 109 109 SER CA C 58.258 0.300 1 1156 109 109 SER CB C 63.964 0.300 1 1157 109 109 SER N N 117.454 0.300 1 1158 110 110 GLY H H 8.285 0.030 1 1159 110 110 GLY HA2 H 4.074 0.030 2 1160 110 110 GLY HA3 H 4.190 0.030 2 1161 110 110 GLY C C 171.818 0.300 1 1162 110 110 GLY CA C 44.653 0.300 1 1163 110 110 GLY N N 110.829 0.300 1 1164 111 111 PRO HA H 4.409 0.030 1 1165 111 111 PRO HB2 H 2.316 0.030 2 1166 111 111 PRO HB3 H 1.981 0.030 2 1167 111 111 PRO HD2 H 3.633 0.030 1 1168 111 111 PRO HD3 H 3.633 0.030 1 1169 111 111 PRO HG2 H 2.021 0.030 1 1170 111 111 PRO HG3 H 2.021 0.030 1 1171 111 111 PRO C C 177.411 0.300 1 1172 111 111 PRO CA C 63.472 0.300 1 1173 111 111 PRO CB C 32.232 0.300 1 1174 111 111 PRO CD C 49.775 0.300 1 1175 111 111 PRO CG C 27.224 0.300 1 1176 112 112 SER H H 8.529 0.030 1 1177 112 112 SER HA H 4.504 0.030 1 1178 112 112 SER HB2 H 3.975 0.030 2 1179 112 112 SER HB3 H 3.901 0.030 2 1180 112 112 SER C C 174.714 0.300 1 1181 112 112 SER CA C 58.329 0.300 1 1182 112 112 SER CB C 63.724 0.300 1 1183 112 112 SER N N 116.492 0.300 1 1184 113 113 SER HA H 4.506 0.030 1 1185 113 113 SER HB2 H 3.905 0.030 1 1186 113 113 SER HB3 H 3.905 0.030 1 1187 113 113 SER C C 173.962 0.300 1 1188 113 113 SER CA C 58.377 0.300 1 1189 113 113 SER CB C 64.107 0.300 1 1190 114 114 GLY H H 8.056 0.030 1 1191 114 114 GLY HA2 H 3.791 0.030 1 1192 114 114 GLY HA3 H 3.791 0.030 1 1193 114 114 GLY C C 178.996 0.300 1 1194 114 114 GLY CA C 46.109 0.300 1 1195 114 114 GLY N N 116.888 0.300 1 stop_ save_