data_11294 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the RWD domain of human RWD omain containing protein 2 ; _BMRB_accession_number 11294 _BMRB_flat_file_name bmr11294.str _Entry_type original _Submission_date 2010-08-09 _Accession_date 2010-08-09 _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 Yoneyama M. . . 2 Kigawa T. . . 3 Sato M. . . 4 Tochio N. . . 5 Koshiba S. . . 6 Inoue M. . . 7 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 877 "13C chemical shifts" 634 "15N chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-19 original author . stop_ _Original_release_date 2011-08-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the RWD domain of human RWD omain containing protein 2' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yoneyama M. . . 2 Kigawa T. . . 3 Sato M. . . 4 Tochio N. . . 5 Koshiba S. . . 6 Inoue M. . . 7 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RWD domain containing protein 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RWD 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 'RWD domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 154 _Mol_residue_sequence ; GSSGSSGMSASVKESLQLQL LEMEMLFSMFPNQGEVKLED VNALTNIKRYLEGTREALPP KIEFVITLQIEEPKVKIDLQ VTMPHSYPYLALQLFGRSSE LDRHQQLLLNKGLTSYIGTF DPGELCVCAAIQWLQDNSAS YFLNRKLVSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 SER 10 ALA 11 SER 12 VAL 13 LYS 14 GLU 15 SER 16 LEU 17 GLN 18 LEU 19 GLN 20 LEU 21 LEU 22 GLU 23 MET 24 GLU 25 MET 26 LEU 27 PHE 28 SER 29 MET 30 PHE 31 PRO 32 ASN 33 GLN 34 GLY 35 GLU 36 VAL 37 LYS 38 LEU 39 GLU 40 ASP 41 VAL 42 ASN 43 ALA 44 LEU 45 THR 46 ASN 47 ILE 48 LYS 49 ARG 50 TYR 51 LEU 52 GLU 53 GLY 54 THR 55 ARG 56 GLU 57 ALA 58 LEU 59 PRO 60 PRO 61 LYS 62 ILE 63 GLU 64 PHE 65 VAL 66 ILE 67 THR 68 LEU 69 GLN 70 ILE 71 GLU 72 GLU 73 PRO 74 LYS 75 VAL 76 LYS 77 ILE 78 ASP 79 LEU 80 GLN 81 VAL 82 THR 83 MET 84 PRO 85 HIS 86 SER 87 TYR 88 PRO 89 TYR 90 LEU 91 ALA 92 LEU 93 GLN 94 LEU 95 PHE 96 GLY 97 ARG 98 SER 99 SER 100 GLU 101 LEU 102 ASP 103 ARG 104 HIS 105 GLN 106 GLN 107 LEU 108 LEU 109 LEU 110 ASN 111 LYS 112 GLY 113 LEU 114 THR 115 SER 116 TYR 117 ILE 118 GLY 119 THR 120 PHE 121 ASP 122 PRO 123 GLY 124 GLU 125 LEU 126 CYS 127 VAL 128 CYS 129 ALA 130 ALA 131 ILE 132 GLN 133 TRP 134 LEU 135 GLN 136 ASP 137 ASN 138 SER 139 ALA 140 SER 141 TYR 142 PHE 143 LEU 144 ASN 145 ARG 146 LYS 147 LEU 148 VAL 149 SER 150 GLY 151 PRO 152 SER 153 SER 154 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 2DAW "Solution Structure Of The Rwd Domain Of Human Rwd Omain Containing Protein 2" 100.00 154 100.00 100.00 1.86e-107 GB AAH10930 "RWD domain containing 2A [Homo sapiens]" 94.81 292 97.95 98.63 6.62e-97 GB AAI04817 "RWD domain containing 2A [Homo sapiens]" 94.81 292 97.26 98.63 1.67e-96 GB AAI12004 "RWD domain containing 2A [Homo sapiens]" 94.81 292 97.26 98.63 1.67e-96 GB ABM83592 "RWD domain containing 2 [synthetic construct]" 94.81 292 97.95 98.63 6.62e-97 GB ABM87092 "RWD domain containing 2 [synthetic construct]" 94.81 292 97.95 98.63 6.84e-97 REF NP_219479 "RWD domain-containing protein 2A [Homo sapiens]" 94.81 292 97.26 98.63 1.67e-96 REF XP_003816428 "PREDICTED: RWD domain-containing protein 2A [Pan paniscus]" 94.81 292 97.26 98.63 1.67e-96 REF XP_004044388 "PREDICTED: RWD domain-containing protein 2A-like [Gorilla gorilla gorilla]" 94.81 292 97.26 98.63 1.67e-96 REF XP_004044389 "PREDICTED: RWD domain-containing protein 2A-like isoform 1 [Gorilla gorilla gorilla]" 94.81 292 97.26 98.63 1.67e-96 REF XP_011533706 "PREDICTED: RWD domain-containing protein 2A isoform X1 [Homo sapiens]" 94.81 292 97.26 98.63 1.67e-96 SP Q9UIY3 "RecName: Full=RWD domain-containing protein 2A" 94.81 292 97.26 98.63 1.67e-96 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 P050314-15 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.17mM RWD domain {U-15N,13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.17 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 0.9318 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 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 'RWD 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 8 8 MET HE H 2.077 0.030 1 2 8 8 MET CE C 17.053 0.300 1 3 9 9 SER HA H 4.334 0.030 1 4 9 9 SER HB2 H 3.818 0.030 1 5 9 9 SER HB3 H 3.818 0.030 1 6 9 9 SER C C 173.984 0.300 1 7 9 9 SER CA C 58.406 0.300 1 8 9 9 SER CB C 63.843 0.300 1 9 10 10 ALA H H 7.928 0.030 1 10 10 10 ALA HA H 4.228 0.030 1 11 10 10 ALA HB H 1.091 0.030 1 12 10 10 ALA C C 177.801 0.300 1 13 10 10 ALA CA C 52.513 0.300 1 14 10 10 ALA CB C 19.392 0.300 1 15 10 10 ALA N N 125.066 0.300 1 16 11 11 SER H H 8.416 0.030 1 17 11 11 SER HA H 4.549 0.030 1 18 11 11 SER HB2 H 4.181 0.030 2 19 11 11 SER HB3 H 3.961 0.030 2 20 11 11 SER C C 176.049 0.300 1 21 11 11 SER CA C 58.135 0.300 1 22 11 11 SER CB C 64.398 0.300 1 23 11 11 SER N N 116.265 0.300 1 24 12 12 VAL H H 8.534 0.030 1 25 12 12 VAL HA H 4.252 0.030 1 26 12 12 VAL HB H 2.205 0.030 1 27 12 12 VAL HG1 H 0.976 0.030 1 28 12 12 VAL HG2 H 1.024 0.030 1 29 12 12 VAL C C 176.984 0.300 1 30 12 12 VAL CA C 64.922 0.300 1 31 12 12 VAL CB C 31.685 0.300 1 32 12 12 VAL CG1 C 21.568 0.300 2 33 12 12 VAL CG2 C 22.317 0.300 2 34 12 12 VAL N N 123.386 0.300 1 35 13 13 LYS H H 8.101 0.030 1 36 13 13 LYS HA H 4.020 0.030 1 37 13 13 LYS HB2 H 1.849 0.030 1 38 13 13 LYS HB3 H 1.849 0.030 1 39 13 13 LYS HD2 H 1.685 0.030 1 40 13 13 LYS HD3 H 1.685 0.030 1 41 13 13 LYS HE2 H 2.781 0.030 2 42 13 13 LYS HE3 H 2.592 0.030 2 43 13 13 LYS HG2 H 1.726 0.030 2 44 13 13 LYS HG3 H 1.253 0.030 2 45 13 13 LYS C C 178.570 0.300 1 46 13 13 LYS CA C 60.752 0.300 1 47 13 13 LYS CB C 32.153 0.300 1 48 13 13 LYS CD C 29.579 0.300 1 49 13 13 LYS CE C 41.980 0.300 1 50 13 13 LYS CG C 27.432 0.300 1 51 13 13 LYS N N 118.880 0.300 1 52 14 14 GLU H H 7.816 0.030 1 53 14 14 GLU HA H 4.143 0.030 1 54 14 14 GLU HB2 H 2.295 0.030 2 55 14 14 GLU HB3 H 2.212 0.030 2 56 14 14 GLU HG2 H 2.377 0.030 1 57 14 14 GLU HG3 H 2.377 0.030 1 58 14 14 GLU C C 179.791 0.300 1 59 14 14 GLU CA C 59.577 0.300 1 60 14 14 GLU CB C 29.728 0.300 1 61 14 14 GLU CG C 37.193 0.300 1 62 14 14 GLU N N 117.778 0.300 1 63 15 15 SER H H 8.299 0.030 1 64 15 15 SER HA H 4.212 0.030 1 65 15 15 SER HB2 H 4.575 0.030 2 66 15 15 SER HB3 H 4.075 0.030 2 67 15 15 SER C C 176.611 0.300 1 68 15 15 SER CA C 62.872 0.300 1 69 15 15 SER CB C 62.205 0.300 1 70 15 15 SER N N 116.272 0.300 1 71 16 16 LEU H H 8.741 0.030 1 72 16 16 LEU HA H 4.162 0.030 1 73 16 16 LEU HB2 H 2.163 0.030 2 74 16 16 LEU HB3 H 1.428 0.030 2 75 16 16 LEU HD1 H 0.815 0.030 1 76 16 16 LEU HD2 H 1.043 0.030 1 77 16 16 LEU HG H 2.249 0.030 1 78 16 16 LEU C C 179.172 0.300 1 79 16 16 LEU CA C 58.349 0.300 1 80 16 16 LEU CB C 41.711 0.300 1 81 16 16 LEU CD1 C 26.997 0.300 2 82 16 16 LEU CD2 C 22.300 0.300 2 83 16 16 LEU CG C 26.978 0.300 1 84 16 16 LEU N N 121.561 0.300 1 85 17 17 GLN H H 7.816 0.030 1 86 17 17 GLN HA H 4.046 0.030 1 87 17 17 GLN HB2 H 2.346 0.030 2 88 17 17 GLN HB3 H 2.229 0.030 2 89 17 17 GLN HE21 H 7.321 0.030 2 90 17 17 GLN HE22 H 6.970 0.030 2 91 17 17 GLN HG2 H 2.598 0.030 2 92 17 17 GLN HG3 H 2.469 0.030 2 93 17 17 GLN C C 179.315 0.300 1 94 17 17 GLN CA C 59.529 0.300 1 95 17 17 GLN CB C 28.740 0.300 1 96 17 17 GLN CG C 34.723 0.300 1 97 17 17 GLN N N 116.763 0.300 1 98 17 17 GLN NE2 N 111.569 0.300 1 99 18 18 LEU H H 7.562 0.030 1 100 18 18 LEU HA H 4.197 0.030 1 101 18 18 LEU HB2 H 2.227 0.030 2 102 18 18 LEU HB3 H 1.376 0.030 2 103 18 18 LEU HD1 H 0.910 0.030 1 104 18 18 LEU HD2 H 0.954 0.030 1 105 18 18 LEU HG H 1.965 0.030 1 106 18 18 LEU C C 178.691 0.300 1 107 18 18 LEU CA C 58.173 0.300 1 108 18 18 LEU CB C 41.755 0.300 1 109 18 18 LEU CD1 C 26.022 0.300 2 110 18 18 LEU CD2 C 22.905 0.300 2 111 18 18 LEU CG C 27.222 0.300 1 112 18 18 LEU N N 120.634 0.300 1 113 19 19 GLN H H 8.284 0.030 1 114 19 19 GLN HA H 3.995 0.030 1 115 19 19 GLN HB2 H 2.369 0.030 2 116 19 19 GLN HB3 H 2.319 0.030 2 117 19 19 GLN HE21 H 8.280 0.030 2 118 19 19 GLN HE22 H 6.324 0.030 2 119 19 19 GLN HG2 H 3.065 0.030 2 120 19 19 GLN HG3 H 2.692 0.030 2 121 19 19 GLN C C 179.314 0.300 1 122 19 19 GLN CA C 60.498 0.300 1 123 19 19 GLN CB C 27.709 0.300 1 124 19 19 GLN CG C 35.153 0.300 1 125 19 19 GLN N N 119.568 0.300 1 126 19 19 GLN NE2 N 110.486 0.300 1 127 20 20 LEU H H 8.113 0.030 1 128 20 20 LEU HA H 4.008 0.030 1 129 20 20 LEU HB2 H 2.035 0.030 2 130 20 20 LEU HB3 H 1.606 0.030 2 131 20 20 LEU HD1 H 0.954 0.030 1 132 20 20 LEU HD2 H 0.970 0.030 1 133 20 20 LEU HG H 2.024 0.030 1 134 20 20 LEU CA C 58.370 0.300 1 135 20 20 LEU CB C 41.191 0.300 1 136 20 20 LEU CD1 C 26.632 0.300 2 137 20 20 LEU CD2 C 23.277 0.300 2 138 20 20 LEU CG C 26.519 0.300 1 139 20 20 LEU N N 116.962 0.300 1 140 21 21 LEU H H 7.607 0.030 1 141 21 21 LEU HA H 4.177 0.030 1 142 21 21 LEU HB2 H 2.022 0.030 2 143 21 21 LEU HB3 H 1.848 0.030 2 144 21 21 LEU HD1 H 0.994 0.030 1 145 21 21 LEU HD2 H 0.931 0.030 1 146 21 21 LEU HG H 1.834 0.030 1 147 21 21 LEU CA C 58.241 0.300 1 148 21 21 LEU CB C 41.535 0.300 1 149 21 21 LEU CD1 C 25.125 0.300 2 150 21 21 LEU CD2 C 23.790 0.300 2 151 21 21 LEU CG C 26.865 0.300 1 152 21 21 LEU N N 120.444 0.300 1 153 22 22 GLU H H 8.590 0.030 1 154 22 22 GLU HA H 4.010 0.030 1 155 22 22 GLU HB2 H 2.422 0.030 2 156 22 22 GLU HB3 H 2.224 0.030 2 157 22 22 GLU HG2 H 2.311 0.030 2 158 22 22 GLU HG3 H 2.210 0.030 2 159 22 22 GLU C C 179.120 0.300 1 160 22 22 GLU CA C 60.436 0.300 1 161 22 22 GLU CB C 29.566 0.300 1 162 22 22 GLU CG C 37.584 0.300 1 163 22 22 GLU N N 123.405 0.300 1 164 23 23 MET H H 8.748 0.030 1 165 23 23 MET HA H 4.311 0.030 1 166 23 23 MET HB2 H 2.229 0.030 2 167 23 23 MET HB3 H 1.741 0.030 2 168 23 23 MET HE H 0.945 0.030 1 169 23 23 MET HG2 H 2.943 0.030 2 170 23 23 MET HG3 H 2.526 0.030 2 171 23 23 MET C C 178.429 0.300 1 172 23 23 MET CA C 56.013 0.300 1 173 23 23 MET CB C 28.864 0.300 1 174 23 23 MET CE C 14.084 0.300 1 175 23 23 MET CG C 31.288 0.300 1 176 23 23 MET N N 115.888 0.300 1 177 24 24 GLU H H 8.107 0.030 1 178 24 24 GLU HA H 4.160 0.030 1 179 24 24 GLU HB2 H 2.262 0.030 2 180 24 24 GLU HB3 H 2.178 0.030 2 181 24 24 GLU HG2 H 2.530 0.030 2 182 24 24 GLU HG3 H 2.298 0.030 2 183 24 24 GLU C C 180.151 0.300 1 184 24 24 GLU CA C 60.012 0.300 1 185 24 24 GLU CB C 29.274 0.300 1 186 24 24 GLU CG C 36.599 0.300 1 187 24 24 GLU N N 119.102 0.300 1 188 25 25 MET H H 7.799 0.030 1 189 25 25 MET HA H 4.200 0.030 1 190 25 25 MET HB2 H 2.393 0.030 2 191 25 25 MET HB3 H 2.304 0.030 2 192 25 25 MET HE H 2.161 0.030 1 193 25 25 MET HG2 H 2.741 0.030 2 194 25 25 MET HG3 H 2.604 0.030 2 195 25 25 MET C C 179.373 0.300 1 196 25 25 MET CA C 58.943 0.300 1 197 25 25 MET CB C 31.901 0.300 1 198 25 25 MET CE C 17.141 0.300 1 199 25 25 MET CG C 31.676 0.300 1 200 25 25 MET N N 120.040 0.300 1 201 26 26 LEU H H 8.570 0.030 1 202 26 26 LEU HA H 4.131 0.030 1 203 26 26 LEU HB2 H 1.763 0.030 2 204 26 26 LEU HB3 H 1.314 0.030 2 205 26 26 LEU HD1 H 0.858 0.030 1 206 26 26 LEU HD2 H 0.768 0.030 1 207 26 26 LEU HG H 1.798 0.030 1 208 26 26 LEU C C 179.235 0.300 1 209 26 26 LEU CA C 58.385 0.300 1 210 26 26 LEU CB C 41.764 0.300 1 211 26 26 LEU CD1 C 26.271 0.300 2 212 26 26 LEU CD2 C 24.631 0.300 2 213 26 26 LEU CG C 26.709 0.300 1 214 26 26 LEU N N 122.578 0.300 1 215 27 27 PHE H H 8.713 0.030 1 216 27 27 PHE HA H 4.447 0.030 1 217 27 27 PHE HB2 H 3.242 0.030 2 218 27 27 PHE HB3 H 3.024 0.030 2 219 27 27 PHE HD1 H 7.338 0.030 1 220 27 27 PHE HD2 H 7.338 0.030 1 221 27 27 PHE HE1 H 7.173 0.030 1 222 27 27 PHE HE2 H 7.173 0.030 1 223 27 27 PHE HZ H 7.014 0.030 1 224 27 27 PHE C C 178.132 0.300 1 225 27 27 PHE CA C 60.508 0.300 1 226 27 27 PHE CB C 38.149 0.300 1 227 27 27 PHE CD1 C 131.507 0.300 1 228 27 27 PHE CD2 C 131.507 0.300 1 229 27 27 PHE CE1 C 130.596 0.300 1 230 27 27 PHE CE2 C 130.596 0.300 1 231 27 27 PHE CZ C 128.619 0.300 1 232 27 27 PHE N N 116.803 0.300 1 233 28 28 SER H H 7.651 0.030 1 234 28 28 SER HA H 4.366 0.030 1 235 28 28 SER HB2 H 4.023 0.030 1 236 28 28 SER HB3 H 4.023 0.030 1 237 28 28 SER C C 175.709 0.300 1 238 28 28 SER CA C 60.865 0.300 1 239 28 28 SER CB C 63.242 0.300 1 240 28 28 SER N N 113.359 0.300 1 241 29 29 MET H H 7.659 0.030 1 242 29 29 MET HA H 3.948 0.030 1 243 29 29 MET HB2 H 1.962 0.030 2 244 29 29 MET HB3 H 1.641 0.030 2 245 29 29 MET HE H 2.094 0.030 1 246 29 29 MET HG2 H 2.429 0.030 2 247 29 29 MET HG3 H 2.092 0.030 2 248 29 29 MET C C 175.745 0.300 1 249 29 29 MET CA C 57.905 0.300 1 250 29 29 MET CB C 34.856 0.300 1 251 29 29 MET CE C 16.887 0.300 1 252 29 29 MET CG C 31.910 0.300 1 253 29 29 MET N N 121.206 0.300 1 254 30 30 PHE H H 7.930 0.030 1 255 30 30 PHE HA H 4.947 0.030 1 256 30 30 PHE HB2 H 3.082 0.030 2 257 30 30 PHE HB3 H 2.844 0.030 2 258 30 30 PHE HD1 H 7.360 0.030 1 259 30 30 PHE HD2 H 7.360 0.030 1 260 30 30 PHE HE1 H 7.262 0.030 1 261 30 30 PHE HE2 H 7.262 0.030 1 262 30 30 PHE HZ H 7.162 0.030 1 263 30 30 PHE CA C 55.677 0.300 1 264 30 30 PHE CB C 39.163 0.300 1 265 30 30 PHE CD1 C 132.706 0.300 1 266 30 30 PHE CD2 C 132.706 0.300 1 267 30 30 PHE CE1 C 130.812 0.300 1 268 30 30 PHE CE2 C 130.812 0.300 1 269 30 30 PHE CZ C 128.830 0.300 1 270 30 30 PHE N N 117.825 0.300 1 271 31 31 PRO HA H 4.813 0.030 1 272 31 31 PRO HB2 H 2.311 0.030 2 273 31 31 PRO HB3 H 2.058 0.030 2 274 31 31 PRO HD2 H 3.696 0.030 2 275 31 31 PRO HD3 H 3.332 0.030 2 276 31 31 PRO HG2 H 1.991 0.030 2 277 31 31 PRO HG3 H 1.814 0.030 2 278 31 31 PRO CA C 64.055 0.300 1 279 31 31 PRO CB C 33.082 0.300 1 280 31 31 PRO CD C 49.720 0.300 1 281 31 31 PRO CG C 26.285 0.300 1 282 32 32 ASN H H 8.618 0.030 1 283 32 32 ASN HA H 4.787 0.030 1 284 32 32 ASN HB2 H 2.776 0.030 1 285 32 32 ASN HB3 H 2.776 0.030 1 286 32 32 ASN HD21 H 8.200 0.030 2 287 32 32 ASN HD22 H 7.146 0.030 2 288 32 32 ASN CA C 53.505 0.300 1 289 32 32 ASN CB C 39.136 0.300 1 290 32 32 ASN N N 119.290 0.300 1 291 32 32 ASN ND2 N 116.358 0.300 1 292 33 33 GLN HA H 4.198 0.030 1 293 33 33 GLN HB2 H 2.130 0.030 1 294 33 33 GLN HB3 H 2.130 0.030 1 295 33 33 GLN HG2 H 2.452 0.030 1 296 33 33 GLN HG3 H 2.452 0.030 1 297 33 33 GLN CA C 58.011 0.300 1 298 33 33 GLN CB C 28.286 0.300 1 299 33 33 GLN CG C 33.726 0.300 1 300 34 34 GLY H H 9.081 0.030 1 301 34 34 GLY HA2 H 4.208 0.030 2 302 34 34 GLY HA3 H 3.706 0.030 2 303 34 34 GLY C C 174.364 0.300 1 304 34 34 GLY CA C 45.449 0.300 1 305 34 34 GLY N N 113.410 0.300 1 306 35 35 GLU H H 7.861 0.030 1 307 35 35 GLU HA H 4.214 0.030 1 308 35 35 GLU HB2 H 2.268 0.030 2 309 35 35 GLU HB3 H 2.104 0.030 2 310 35 35 GLU HG2 H 2.300 0.030 1 311 35 35 GLU HG3 H 2.300 0.030 1 312 35 35 GLU C C 176.031 0.300 1 313 35 35 GLU CA C 59.965 0.300 1 314 35 35 GLU CB C 30.306 0.300 1 315 35 35 GLU CG C 38.276 0.300 1 316 35 35 GLU N N 120.074 0.300 1 317 36 36 VAL H H 7.938 0.030 1 318 36 36 VAL HA H 4.297 0.030 1 319 36 36 VAL HB H 1.991 0.030 1 320 36 36 VAL HG1 H 0.297 0.030 1 321 36 36 VAL HG2 H 0.671 0.030 1 322 36 36 VAL C C 175.526 0.300 1 323 36 36 VAL CA C 62.091 0.300 1 324 36 36 VAL CB C 32.004 0.300 1 325 36 36 VAL CG1 C 21.333 0.300 2 326 36 36 VAL CG2 C 21.199 0.300 2 327 36 36 VAL N N 116.803 0.300 1 328 37 37 LYS H H 8.988 0.030 1 329 37 37 LYS HA H 4.648 0.030 1 330 37 37 LYS HB2 H 1.774 0.030 1 331 37 37 LYS HB3 H 1.774 0.030 1 332 37 37 LYS HD2 H 1.648 0.030 1 333 37 37 LYS HD3 H 1.648 0.030 1 334 37 37 LYS HE2 H 2.950 0.030 1 335 37 37 LYS HE3 H 2.950 0.030 1 336 37 37 LYS HG2 H 1.331 0.030 1 337 37 37 LYS HG3 H 1.331 0.030 1 338 37 37 LYS C C 176.630 0.300 1 339 37 37 LYS CA C 55.105 0.300 1 340 37 37 LYS CB C 33.156 0.300 1 341 37 37 LYS CD C 29.221 0.300 1 342 37 37 LYS CE C 41.990 0.300 1 343 37 37 LYS CG C 24.331 0.300 1 344 37 37 LYS N N 128.372 0.300 1 345 38 38 LEU H H 8.876 0.030 1 346 38 38 LEU HA H 4.530 0.030 1 347 38 38 LEU HB2 H 1.762 0.030 2 348 38 38 LEU HB3 H 1.651 0.030 2 349 38 38 LEU HD1 H 1.156 0.030 1 350 38 38 LEU HD2 H 0.979 0.030 1 351 38 38 LEU HG H 1.878 0.030 1 352 38 38 LEU C C 177.124 0.300 1 353 38 38 LEU CA C 55.519 0.300 1 354 38 38 LEU CB C 42.697 0.300 1 355 38 38 LEU CD1 C 26.278 0.300 2 356 38 38 LEU CD2 C 23.920 0.300 2 357 38 38 LEU CG C 28.160 0.300 1 358 38 38 LEU N N 128.898 0.300 1 359 39 39 GLU H H 8.325 0.030 1 360 39 39 GLU HA H 4.104 0.030 1 361 39 39 GLU HB2 H 2.079 0.030 2 362 39 39 GLU HB3 H 1.945 0.030 2 363 39 39 GLU HG2 H 2.252 0.030 2 364 39 39 GLU HG3 H 2.156 0.030 2 365 39 39 GLU C C 176.388 0.300 1 366 39 39 GLU CA C 58.887 0.300 1 367 39 39 GLU CB C 29.858 0.300 1 368 39 39 GLU CG C 35.951 0.300 1 369 39 39 GLU N N 123.129 0.300 1 370 40 40 ASP H H 8.186 0.030 1 371 40 40 ASP HA H 4.912 0.030 1 372 40 40 ASP HB2 H 2.952 0.030 2 373 40 40 ASP HB3 H 2.605 0.030 2 374 40 40 ASP C C 177.415 0.300 1 375 40 40 ASP CA C 51.949 0.300 1 376 40 40 ASP CB C 42.195 0.300 1 377 40 40 ASP N N 116.972 0.300 1 378 41 41 VAL H H 8.579 0.030 1 379 41 41 VAL HA H 4.038 0.030 1 380 41 41 VAL HB H 2.353 0.030 1 381 41 41 VAL HG1 H 1.103 0.030 1 382 41 41 VAL HG2 H 1.017 0.030 1 383 41 41 VAL C C 177.051 0.300 1 384 41 41 VAL CA C 64.432 0.300 1 385 41 41 VAL CB C 31.435 0.300 1 386 41 41 VAL CG1 C 20.900 0.300 2 387 41 41 VAL CG2 C 19.256 0.300 2 388 41 41 VAL N N 121.230 0.300 1 389 42 42 ASN H H 8.682 0.030 1 390 42 42 ASN HA H 5.021 0.030 1 391 42 42 ASN HB2 H 2.949 0.030 2 392 42 42 ASN HB3 H 2.782 0.030 2 393 42 42 ASN HD21 H 7.972 0.030 2 394 42 42 ASN HD22 H 7.051 0.030 2 395 42 42 ASN C C 175.528 0.300 1 396 42 42 ASN CA C 53.262 0.300 1 397 42 42 ASN CB C 39.209 0.300 1 398 42 42 ASN N N 118.296 0.300 1 399 42 42 ASN ND2 N 116.117 0.300 1 400 43 43 ALA H H 8.137 0.030 1 401 43 43 ALA HA H 4.147 0.030 1 402 43 43 ALA HB H 1.687 0.030 1 403 43 43 ALA C C 179.949 0.300 1 404 43 43 ALA CA C 56.339 0.300 1 405 43 43 ALA CB C 19.935 0.300 1 406 43 43 ALA N N 122.192 0.300 1 407 44 44 LEU H H 8.358 0.030 1 408 44 44 LEU HA H 4.167 0.030 1 409 44 44 LEU HB2 H 1.949 0.030 2 410 44 44 LEU HB3 H 1.537 0.030 2 411 44 44 LEU HD1 H 1.079 0.030 1 412 44 44 LEU HD2 H 0.923 0.030 1 413 44 44 LEU HG H 1.880 0.030 1 414 44 44 LEU C C 179.899 0.300 1 415 44 44 LEU CA C 57.918 0.300 1 416 44 44 LEU CB C 39.169 0.300 1 417 44 44 LEU CD1 C 25.781 0.300 2 418 44 44 LEU CD2 C 23.567 0.300 2 419 44 44 LEU CG C 27.892 0.300 1 420 44 44 LEU N N 113.582 0.300 1 421 45 45 THR H H 7.915 0.030 1 422 45 45 THR HA H 3.873 0.030 1 423 45 45 THR HB H 4.173 0.030 1 424 45 45 THR HG2 H 1.233 0.030 1 425 45 45 THR C C 176.513 0.300 1 426 45 45 THR CA C 66.161 0.300 1 427 45 45 THR CB C 68.498 0.300 1 428 45 45 THR CG2 C 22.205 0.300 1 429 45 45 THR N N 117.608 0.300 1 430 46 46 ASN H H 8.421 0.030 1 431 46 46 ASN HA H 4.560 0.030 1 432 46 46 ASN HB2 H 2.971 0.030 2 433 46 46 ASN HB3 H 2.425 0.030 2 434 46 46 ASN HD21 H 7.778 0.030 2 435 46 46 ASN HD22 H 7.210 0.030 2 436 46 46 ASN C C 178.077 0.300 1 437 46 46 ASN CA C 56.181 0.300 1 438 46 46 ASN CB C 37.676 0.300 1 439 46 46 ASN N N 118.990 0.300 1 440 46 46 ASN ND2 N 113.300 0.300 1 441 47 47 ILE H H 7.922 0.030 1 442 47 47 ILE HA H 3.739 0.030 1 443 47 47 ILE HB H 2.150 0.030 1 444 47 47 ILE HD1 H 1.046 0.030 1 445 47 47 ILE HG12 H 2.007 0.030 2 446 47 47 ILE HG13 H 1.183 0.030 2 447 47 47 ILE HG2 H 1.078 0.030 1 448 47 47 ILE CA C 66.360 0.300 1 449 47 47 ILE CB C 38.145 0.300 1 450 47 47 ILE CD1 C 14.321 0.300 1 451 47 47 ILE CG1 C 30.504 0.300 1 452 47 47 ILE CG2 C 19.041 0.300 1 453 47 47 ILE N N 121.459 0.300 1 454 48 48 LYS H H 8.286 0.030 1 455 48 48 LYS HA H 3.948 0.030 1 456 48 48 LYS HB2 H 2.041 0.030 2 457 48 48 LYS HB3 H 1.973 0.030 2 458 48 48 LYS HD2 H 1.696 0.030 1 459 48 48 LYS HD3 H 1.696 0.030 1 460 48 48 LYS HE2 H 2.980 0.030 2 461 48 48 LYS HE3 H 2.925 0.030 2 462 48 48 LYS HG2 H 1.633 0.030 2 463 48 48 LYS HG3 H 1.466 0.030 2 464 48 48 LYS CA C 60.763 0.300 1 465 48 48 LYS CB C 32.160 0.300 1 466 48 48 LYS CD C 29.633 0.300 1 467 48 48 LYS CE C 42.203 0.300 1 468 48 48 LYS CG C 26.075 0.300 1 469 48 48 LYS N N 120.903 0.300 1 470 49 49 ARG H H 8.336 0.030 1 471 49 49 ARG HA H 4.116 0.030 1 472 49 49 ARG HB2 H 1.873 0.030 2 473 49 49 ARG HB3 H 1.822 0.030 2 474 49 49 ARG HD2 H 3.234 0.030 2 475 49 49 ARG HD3 H 3.143 0.030 2 476 49 49 ARG HG2 H 1.957 0.030 2 477 49 49 ARG HG3 H 1.714 0.030 2 478 49 49 ARG C C 178.980 0.300 1 479 49 49 ARG CA C 59.329 0.300 1 480 49 49 ARG CB C 30.841 0.300 1 481 49 49 ARG CD C 43.510 0.300 1 482 49 49 ARG CG C 27.919 0.300 1 483 49 49 ARG N N 116.819 0.300 1 484 50 50 TYR H H 8.021 0.030 1 485 50 50 TYR HA H 4.637 0.030 1 486 50 50 TYR HB2 H 3.340 0.030 2 487 50 50 TYR HB3 H 3.003 0.030 2 488 50 50 TYR HD1 H 6.916 0.030 1 489 50 50 TYR HD2 H 6.916 0.030 1 490 50 50 TYR HE1 H 6.583 0.030 1 491 50 50 TYR HE2 H 6.583 0.030 1 492 50 50 TYR C C 178.941 0.300 1 493 50 50 TYR CA C 61.065 0.300 1 494 50 50 TYR CB C 38.918 0.300 1 495 50 50 TYR CD1 C 133.528 0.300 1 496 50 50 TYR CD2 C 133.528 0.300 1 497 50 50 TYR CE1 C 118.173 0.300 1 498 50 50 TYR CE2 C 118.173 0.300 1 499 50 50 TYR N N 121.994 0.300 1 500 51 51 LEU H H 8.727 0.030 1 501 51 51 LEU HA H 3.826 0.030 1 502 51 51 LEU HB2 H 2.131 0.030 2 503 51 51 LEU HB3 H 1.551 0.030 2 504 51 51 LEU HD1 H 0.924 0.030 1 505 51 51 LEU HD2 H 1.121 0.030 1 506 51 51 LEU HG H 2.128 0.030 1 507 51 51 LEU C C 179.520 0.300 1 508 51 51 LEU CA C 57.923 0.300 1 509 51 51 LEU CB C 41.278 0.300 1 510 51 51 LEU CD1 C 26.293 0.300 2 511 51 51 LEU CD2 C 23.489 0.300 2 512 51 51 LEU CG C 26.753 0.300 1 513 51 51 LEU N N 120.412 0.300 1 514 52 52 GLU H H 8.189 0.030 1 515 52 52 GLU HA H 4.240 0.030 1 516 52 52 GLU HB2 H 2.159 0.030 1 517 52 52 GLU HB3 H 2.159 0.030 1 518 52 52 GLU HG2 H 2.476 0.030 2 519 52 52 GLU HG3 H 2.439 0.030 2 520 52 52 GLU C C 177.036 0.300 1 521 52 52 GLU CA C 56.885 0.300 1 522 52 52 GLU CB C 30.175 0.300 1 523 52 52 GLU CG C 36.599 0.300 1 524 52 52 GLU N N 116.915 0.300 1 525 53 53 GLY H H 7.603 0.030 1 526 53 53 GLY HA2 H 4.217 0.030 2 527 53 53 GLY HA3 H 3.972 0.030 2 528 53 53 GLY C C 174.892 0.300 1 529 53 53 GLY CA C 45.263 0.300 1 530 53 53 GLY N N 106.615 0.300 1 531 54 54 THR H H 8.180 0.030 1 532 54 54 THR HA H 4.315 0.030 1 533 54 54 THR HB H 4.377 0.030 1 534 54 54 THR HG2 H 1.178 0.030 1 535 54 54 THR C C 174.183 0.300 1 536 54 54 THR CA C 62.141 0.300 1 537 54 54 THR CB C 68.721 0.300 1 538 54 54 THR CG2 C 22.065 0.300 1 539 54 54 THR N N 111.229 0.300 1 540 55 55 ARG H H 7.130 0.030 1 541 55 55 ARG HA H 4.574 0.030 1 542 55 55 ARG HB2 H 1.748 0.030 2 543 55 55 ARG HB3 H 1.485 0.030 2 544 55 55 ARG HD2 H 3.399 0.030 2 545 55 55 ARG HD3 H 3.159 0.030 2 546 55 55 ARG HG2 H 1.790 0.030 2 547 55 55 ARG HG3 H 1.750 0.030 2 548 55 55 ARG C C 174.919 0.300 1 549 55 55 ARG CA C 54.911 0.300 1 550 55 55 ARG CB C 33.200 0.300 1 551 55 55 ARG CD C 44.334 0.300 1 552 55 55 ARG CG C 27.925 0.300 1 553 55 55 ARG N N 121.576 0.300 1 554 56 56 GLU HA H 4.199 0.030 1 555 56 56 GLU HB2 H 2.059 0.030 2 556 56 56 GLU HB3 H 2.005 0.030 2 557 56 56 GLU HG2 H 2.221 0.030 1 558 56 56 GLU HG3 H 2.221 0.030 1 559 56 56 GLU CA C 58.038 0.300 1 560 56 56 GLU CB C 30.738 0.300 1 561 56 56 GLU CG C 36.363 0.300 1 562 57 57 ALA H H 7.873 0.030 1 563 57 57 ALA HA H 4.359 0.030 1 564 57 57 ALA HB H 1.323 0.030 1 565 57 57 ALA CA C 51.600 0.300 1 566 57 57 ALA CB C 19.633 0.300 1 567 57 57 ALA N N 121.555 0.300 1 568 58 58 LEU H H 8.360 0.030 1 569 58 58 LEU HA H 3.479 0.030 1 570 58 58 LEU HB2 H 1.382 0.030 2 571 58 58 LEU HB3 H 1.148 0.030 2 572 58 58 LEU HD1 H 0.601 0.030 1 573 58 58 LEU HD2 H 0.416 0.030 1 574 58 58 LEU HG H 1.437 0.030 1 575 58 58 LEU CA C 53.250 0.300 1 576 58 58 LEU CB C 41.729 0.300 1 577 58 58 LEU CD1 C 24.653 0.300 2 578 58 58 LEU CD2 C 24.175 0.300 2 579 58 58 LEU CG C 26.747 0.300 1 580 58 58 LEU N N 123.482 0.300 1 581 59 59 PRO HA H 4.620 0.030 1 582 59 59 PRO HB2 H 2.193 0.030 2 583 59 59 PRO HB3 H 1.871 0.030 2 584 59 59 PRO HD2 H 2.818 0.030 2 585 59 59 PRO HD3 H 2.753 0.030 2 586 59 59 PRO HG2 H 1.879 0.030 2 587 59 59 PRO HG3 H 1.620 0.030 2 588 59 59 PRO CA C 60.891 0.300 1 589 59 59 PRO CB C 30.522 0.300 1 590 59 59 PRO CD C 49.256 0.300 1 591 59 59 PRO CG C 27.476 0.300 1 592 60 60 PRO HA H 4.518 0.030 1 593 60 60 PRO HB2 H 2.421 0.030 2 594 60 60 PRO HB3 H 1.921 0.030 2 595 60 60 PRO HD2 H 3.684 0.030 2 596 60 60 PRO HD3 H 3.586 0.030 2 597 60 60 PRO HG2 H 2.114 0.030 2 598 60 60 PRO HG3 H 2.052 0.030 2 599 60 60 PRO C C 176.039 0.300 1 600 60 60 PRO CA C 62.741 0.300 1 601 60 60 PRO CB C 32.137 0.300 1 602 60 60 PRO CD C 50.194 0.300 1 603 60 60 PRO CG C 27.874 0.300 1 604 61 61 LYS H H 8.072 0.030 1 605 61 61 LYS HA H 4.198 0.030 1 606 61 61 LYS HB2 H 1.658 0.030 2 607 61 61 LYS HB3 H 1.381 0.030 2 608 61 61 LYS HD2 H 1.491 0.030 2 609 61 61 LYS HD3 H 1.251 0.030 2 610 61 61 LYS HE2 H 2.787 0.030 1 611 61 61 LYS HE3 H 2.787 0.030 1 612 61 61 LYS HG2 H 1.080 0.030 2 613 61 61 LYS HG3 H 1.025 0.030 2 614 61 61 LYS C C 177.323 0.300 1 615 61 61 LYS CA C 56.054 0.300 1 616 61 61 LYS CB C 31.910 0.300 1 617 61 61 LYS CD C 29.527 0.300 1 618 61 61 LYS CE C 41.279 0.300 1 619 61 61 LYS CG C 24.016 0.300 1 620 61 61 LYS N N 119.762 0.300 1 621 62 62 ILE H H 9.285 0.030 1 622 62 62 ILE HA H 3.580 0.030 1 623 62 62 ILE HB H 2.008 0.030 1 624 62 62 ILE HD1 H 1.097 0.030 1 625 62 62 ILE HG12 H 1.951 0.030 2 626 62 62 ILE HG13 H 0.789 0.030 2 627 62 62 ILE HG2 H 1.114 0.030 1 628 62 62 ILE C C 174.331 0.300 1 629 62 62 ILE CA C 65.198 0.300 1 630 62 62 ILE CB C 37.758 0.300 1 631 62 62 ILE CD1 C 13.400 0.300 1 632 62 62 ILE CG1 C 29.809 0.300 1 633 62 62 ILE CG2 C 18.559 0.300 1 634 62 62 ILE N N 124.365 0.300 1 635 63 63 GLU H H 7.161 0.030 1 636 63 63 GLU HA H 5.474 0.030 1 637 63 63 GLU HB2 H 2.001 0.030 2 638 63 63 GLU HB3 H 1.893 0.030 2 639 63 63 GLU HG2 H 2.242 0.030 2 640 63 63 GLU HG3 H 2.122 0.030 2 641 63 63 GLU C C 175.639 0.300 1 642 63 63 GLU CA C 54.640 0.300 1 643 63 63 GLU CB C 33.602 0.300 1 644 63 63 GLU CG C 37.022 0.300 1 645 63 63 GLU N N 125.926 0.300 1 646 64 64 PHE H H 8.943 0.030 1 647 64 64 PHE HA H 5.372 0.030 1 648 64 64 PHE HB2 H 3.244 0.030 2 649 64 64 PHE HB3 H 2.723 0.030 2 650 64 64 PHE HD1 H 6.740 0.030 1 651 64 64 PHE HD2 H 6.740 0.030 1 652 64 64 PHE HE1 H 7.040 0.030 1 653 64 64 PHE HE2 H 7.040 0.030 1 654 64 64 PHE HZ H 6.877 0.030 1 655 64 64 PHE C C 171.587 0.300 1 656 64 64 PHE CA C 56.022 0.300 1 657 64 64 PHE CB C 41.732 0.300 1 658 64 64 PHE CD1 C 132.210 0.300 1 659 64 64 PHE CD2 C 132.210 0.300 1 660 64 64 PHE CE1 C 130.722 0.300 1 661 64 64 PHE CE2 C 130.722 0.300 1 662 64 64 PHE CZ C 128.956 0.300 1 663 64 64 PHE N N 120.243 0.300 1 664 65 65 VAL H H 8.352 0.030 1 665 65 65 VAL HA H 5.154 0.030 1 666 65 65 VAL HB H 1.846 0.030 1 667 65 65 VAL HG1 H 0.754 0.030 1 668 65 65 VAL HG2 H 0.906 0.030 1 669 65 65 VAL C C 175.509 0.300 1 670 65 65 VAL CA C 60.250 0.300 1 671 65 65 VAL CB C 35.653 0.300 1 672 65 65 VAL CG1 C 21.135 0.300 2 673 65 65 VAL CG2 C 22.057 0.300 2 674 65 65 VAL N N 118.626 0.300 1 675 66 66 ILE H H 9.001 0.030 1 676 66 66 ILE HA H 5.127 0.030 1 677 66 66 ILE HB H 1.538 0.030 1 678 66 66 ILE HD1 H 0.548 0.030 1 679 66 66 ILE HG12 H 1.620 0.030 2 680 66 66 ILE HG13 H 0.830 0.030 2 681 66 66 ILE HG2 H 0.520 0.030 1 682 66 66 ILE C C 174.822 0.300 1 683 66 66 ILE CA C 58.890 0.300 1 684 66 66 ILE CB C 41.731 0.300 1 685 66 66 ILE CD1 C 14.791 0.300 1 686 66 66 ILE CG1 C 27.925 0.300 1 687 66 66 ILE CG2 C 16.446 0.300 1 688 66 66 ILE N N 126.913 0.300 1 689 67 67 THR H H 8.797 0.030 1 690 67 67 THR HA H 4.879 0.030 1 691 67 67 THR HB H 3.936 0.030 1 692 67 67 THR HG2 H 1.179 0.030 1 693 67 67 THR C C 173.268 0.300 1 694 67 67 THR CA C 62.493 0.300 1 695 67 67 THR CB C 69.604 0.300 1 696 67 67 THR CG2 C 21.839 0.300 1 697 67 67 THR N N 125.851 0.300 1 698 68 68 LEU H H 9.339 0.030 1 699 68 68 LEU HA H 4.569 0.030 1 700 68 68 LEU HB2 H 1.669 0.030 2 701 68 68 LEU HB3 H 1.463 0.030 2 702 68 68 LEU HD1 H 0.916 0.030 1 703 68 68 LEU HD2 H 0.822 0.030 1 704 68 68 LEU C C 175.168 0.300 1 705 68 68 LEU CA C 53.320 0.300 1 706 68 68 LEU CB C 44.561 0.300 1 707 68 68 LEU CD1 C 26.865 0.300 2 708 68 68 LEU CD2 C 25.816 0.300 2 709 68 68 LEU N N 128.610 0.300 1 710 69 69 GLN H H 8.864 0.030 1 711 69 69 GLN HA H 4.608 0.030 1 712 69 69 GLN HB2 H 2.156 0.030 2 713 69 69 GLN HB3 H 1.917 0.030 2 714 69 69 GLN HE21 H 7.643 0.030 2 715 69 69 GLN HE22 H 6.789 0.030 2 716 69 69 GLN HG2 H 2.239 0.030 2 717 69 69 GLN HG3 H 1.991 0.030 2 718 69 69 GLN C C 175.068 0.300 1 719 69 69 GLN CA C 54.542 0.300 1 720 69 69 GLN CB C 29.797 0.300 1 721 69 69 GLN CG C 34.138 0.300 1 722 69 69 GLN N N 122.843 0.300 1 723 69 69 GLN NE2 N 114.456 0.300 1 724 70 70 ILE H H 8.929 0.030 1 725 70 70 ILE HA H 4.355 0.030 1 726 70 70 ILE HB H 2.186 0.030 1 727 70 70 ILE HD1 H 0.577 0.030 1 728 70 70 ILE HG12 H 1.374 0.030 2 729 70 70 ILE HG13 H 1.173 0.030 2 730 70 70 ILE HG2 H 0.960 0.030 1 731 70 70 ILE C C 176.396 0.300 1 732 70 70 ILE CA C 58.859 0.300 1 733 70 70 ILE CB C 35.776 0.300 1 734 70 70 ILE CD1 C 9.884 0.300 1 735 70 70 ILE CG1 C 27.222 0.300 1 736 70 70 ILE CG2 C 18.067 0.300 1 737 70 70 ILE N N 130.348 0.300 1 738 71 71 GLU H H 8.362 0.030 1 739 71 71 GLU HA H 4.179 0.030 1 740 71 71 GLU HB2 H 2.032 0.030 2 741 71 71 GLU HB3 H 1.943 0.030 2 742 71 71 GLU HG2 H 2.299 0.030 2 743 71 71 GLU HG3 H 2.212 0.030 2 744 71 71 GLU C C 176.279 0.300 1 745 71 71 GLU CA C 58.266 0.300 1 746 71 71 GLU CB C 30.454 0.300 1 747 71 71 GLU CG C 36.116 0.300 1 748 71 71 GLU N N 124.406 0.300 1 749 72 72 GLU H H 7.544 0.030 1 750 72 72 GLU HA H 4.432 0.030 1 751 72 72 GLU HB2 H 1.855 0.030 1 752 72 72 GLU HB3 H 1.855 0.030 1 753 72 72 GLU HG2 H 2.138 0.030 2 754 72 72 GLU HG3 H 2.010 0.030 2 755 72 72 GLU CA C 53.015 0.300 1 756 72 72 GLU CB C 32.109 0.300 1 757 72 72 GLU CG C 35.810 0.300 1 758 72 72 GLU N N 118.992 0.300 1 759 73 73 PRO HA H 4.602 0.030 1 760 73 73 PRO HB2 H 2.207 0.030 2 761 73 73 PRO HB3 H 1.705 0.030 2 762 73 73 PRO HD2 H 3.268 0.030 2 763 73 73 PRO HD3 H 3.191 0.030 2 764 73 73 PRO HG2 H 1.575 0.030 2 765 73 73 PRO HG3 H 1.257 0.030 2 766 73 73 PRO C C 173.372 0.300 1 767 73 73 PRO CA C 63.079 0.300 1 768 73 73 PRO CB C 33.786 0.300 1 769 73 73 PRO CD C 48.886 0.300 1 770 73 73 PRO CG C 24.171 0.300 1 771 74 74 LYS H H 7.901 0.030 1 772 74 74 LYS HA H 4.503 0.030 1 773 74 74 LYS HB2 H 1.775 0.030 2 774 74 74 LYS HB3 H 1.603 0.030 2 775 74 74 LYS HD2 H 1.725 0.030 1 776 74 74 LYS HD3 H 1.725 0.030 1 777 74 74 LYS HE2 H 3.000 0.030 1 778 74 74 LYS HE3 H 3.000 0.030 1 779 74 74 LYS HG2 H 1.372 0.030 1 780 74 74 LYS HG3 H 1.372 0.030 1 781 74 74 LYS C C 175.610 0.300 1 782 74 74 LYS CA C 55.609 0.300 1 783 74 74 LYS CB C 30.496 0.300 1 784 74 74 LYS CD C 29.237 0.300 1 785 74 74 LYS CE C 42.208 0.300 1 786 74 74 LYS CG C 24.825 0.300 1 787 74 74 LYS N N 117.069 0.300 1 788 75 75 VAL H H 7.588 0.030 1 789 75 75 VAL HA H 4.466 0.030 1 790 75 75 VAL HB H 1.690 0.030 1 791 75 75 VAL HG1 H 0.366 0.030 1 792 75 75 VAL HG2 H -0.048 0.030 1 793 75 75 VAL C C 172.918 0.300 1 794 75 75 VAL CA C 59.344 0.300 1 795 75 75 VAL CB C 35.887 0.300 1 796 75 75 VAL CG1 C 20.901 0.300 2 797 75 75 VAL CG2 C 17.608 0.300 2 798 75 75 VAL N N 123.054 0.300 1 799 76 76 LYS H H 8.352 0.030 1 800 76 76 LYS HA H 5.352 0.030 1 801 76 76 LYS HB2 H 1.656 0.030 1 802 76 76 LYS HB3 H 1.656 0.030 1 803 76 76 LYS HD2 H 1.579 0.030 1 804 76 76 LYS HD3 H 1.579 0.030 1 805 76 76 LYS HE2 H 2.940 0.030 1 806 76 76 LYS HE3 H 2.940 0.030 1 807 76 76 LYS HG2 H 1.416 0.030 2 808 76 76 LYS HG3 H 1.172 0.030 2 809 76 76 LYS C C 176.463 0.300 1 810 76 76 LYS CA C 54.681 0.300 1 811 76 76 LYS CB C 34.974 0.300 1 812 76 76 LYS CD C 29.355 0.300 1 813 76 76 LYS CE C 42.109 0.300 1 814 76 76 LYS CG C 25.347 0.300 1 815 76 76 LYS N N 120.773 0.300 1 816 77 77 ILE H H 8.879 0.030 1 817 77 77 ILE HA H 4.591 0.030 1 818 77 77 ILE HB H 1.637 0.030 1 819 77 77 ILE HD1 H 0.895 0.030 1 820 77 77 ILE HG12 H 1.573 0.030 2 821 77 77 ILE HG13 H 0.989 0.030 2 822 77 77 ILE HG2 H 0.768 0.030 1 823 77 77 ILE C C 173.447 0.300 1 824 77 77 ILE CA C 59.587 0.300 1 825 77 77 ILE CB C 42.560 0.300 1 826 77 77 ILE CD1 C 14.581 0.300 1 827 77 77 ILE CG1 C 28.300 0.300 1 828 77 77 ILE CG2 C 16.201 0.300 1 829 77 77 ILE N N 123.340 0.300 1 830 78 78 ASP H H 8.917 0.030 1 831 78 78 ASP HA H 5.248 0.030 1 832 78 78 ASP HB2 H 2.606 0.030 2 833 78 78 ASP HB3 H 2.264 0.030 2 834 78 78 ASP C C 174.459 0.300 1 835 78 78 ASP CA C 53.175 0.300 1 836 78 78 ASP CB C 41.686 0.300 1 837 78 78 ASP N N 126.874 0.300 1 838 79 79 LEU H H 9.521 0.030 1 839 79 79 LEU HA H 4.769 0.030 1 840 79 79 LEU HB2 H 2.094 0.030 2 841 79 79 LEU HB3 H 0.860 0.030 2 842 79 79 LEU HD1 H 0.639 0.030 1 843 79 79 LEU HD2 H 0.625 0.030 1 844 79 79 LEU HG H 1.204 0.030 1 845 79 79 LEU C C 173.316 0.300 1 846 79 79 LEU CA C 53.324 0.300 1 847 79 79 LEU CB C 43.639 0.300 1 848 79 79 LEU CD1 C 23.011 0.300 2 849 79 79 LEU CD2 C 25.367 0.300 2 850 79 79 LEU CG C 26.519 0.300 1 851 79 79 LEU N N 128.038 0.300 1 852 80 80 GLN H H 9.193 0.030 1 853 80 80 GLN HA H 4.681 0.030 1 854 80 80 GLN HB2 H 2.220 0.030 2 855 80 80 GLN HB3 H 1.988 0.030 2 856 80 80 GLN HE21 H 7.198 0.030 2 857 80 80 GLN HE22 H 6.586 0.030 2 858 80 80 GLN HG2 H 2.216 0.030 1 859 80 80 GLN HG3 H 2.216 0.030 1 860 80 80 GLN C C 174.818 0.300 1 861 80 80 GLN CA C 55.229 0.300 1 862 80 80 GLN CB C 29.440 0.300 1 863 80 80 GLN CG C 33.530 0.300 1 864 80 80 GLN N N 129.461 0.300 1 865 80 80 GLN NE2 N 111.088 0.300 1 866 81 81 VAL H H 8.847 0.030 1 867 81 81 VAL HA H 4.270 0.030 1 868 81 81 VAL HB H 0.059 0.030 1 869 81 81 VAL HG1 H 0.383 0.030 1 870 81 81 VAL HG2 H 0.348 0.030 1 871 81 81 VAL C C 174.275 0.300 1 872 81 81 VAL CA C 61.047 0.300 1 873 81 81 VAL CB C 33.436 0.300 1 874 81 81 VAL CG1 C 23.439 0.300 2 875 81 81 VAL CG2 C 20.417 0.300 2 876 81 81 VAL N N 127.454 0.300 1 877 82 82 THR H H 8.506 0.030 1 878 82 82 THR HA H 4.692 0.030 1 879 82 82 THR HB H 3.835 0.030 1 880 82 82 THR HG2 H 0.957 0.030 1 881 82 82 THR C C 173.162 0.300 1 882 82 82 THR CA C 61.964 0.300 1 883 82 82 THR CB C 70.835 0.300 1 884 82 82 THR CG2 C 21.362 0.300 1 885 82 82 THR N N 122.573 0.300 1 886 83 83 MET H H 8.676 0.030 1 887 83 83 MET HA H 4.509 0.030 1 888 83 83 MET HB2 H 1.667 0.030 2 889 83 83 MET HB3 H 1.988 0.030 2 890 83 83 MET HE H 2.056 0.030 1 891 83 83 MET HG2 H 2.103 0.030 2 892 83 83 MET HG3 H 1.551 0.030 2 893 83 83 MET CA C 52.396 0.300 1 894 83 83 MET CB C 32.490 0.300 1 895 83 83 MET CE C 19.277 0.300 1 896 83 83 MET CG C 33.615 0.300 1 897 83 83 MET N N 125.543 0.300 1 898 84 84 PRO HA H 4.271 0.030 1 899 84 84 PRO HB2 H 1.844 0.030 2 900 84 84 PRO HB3 H 2.409 0.030 2 901 84 84 PRO HD2 H 3.949 0.030 2 902 84 84 PRO HD3 H 3.525 0.030 2 903 84 84 PRO HG2 H 2.046 0.030 2 904 84 84 PRO HG3 H 1.999 0.030 2 905 84 84 PRO CA C 62.618 0.300 1 906 84 84 PRO CB C 31.944 0.300 1 907 84 84 PRO CD C 51.318 0.300 1 908 84 84 PRO CG C 27.457 0.300 1 909 85 85 HIS H H 8.612 0.030 1 910 85 85 HIS HA H 4.378 0.030 1 911 85 85 HIS HB2 H 3.110 0.030 2 912 85 85 HIS HB3 H 3.049 0.030 2 913 85 85 HIS HD2 H 7.291 0.030 1 914 85 85 HIS HE1 H 7.722 0.030 1 915 85 85 HIS CA C 60.864 0.300 1 916 85 85 HIS CB C 31.207 0.300 1 917 85 85 HIS CD2 C 117.567 0.300 1 918 85 85 HIS CE1 C 138.690 0.300 1 919 85 85 HIS N N 121.285 0.300 1 920 86 86 SER H H 7.774 0.030 1 921 86 86 SER HA H 4.703 0.030 1 922 86 86 SER HB2 H 4.123 0.030 2 923 86 86 SER HB3 H 3.817 0.030 2 924 86 86 SER CA C 58.862 0.300 1 925 86 86 SER CB C 63.992 0.300 1 926 86 86 SER N N 104.067 0.300 1 927 87 87 TYR H H 7.789 0.030 1 928 87 87 TYR HA H 5.133 0.030 1 929 87 87 TYR HB2 H 3.100 0.030 2 930 87 87 TYR HB3 H 2.969 0.030 2 931 87 87 TYR HD1 H 7.004 0.030 3 932 87 87 TYR HD2 H 7.760 0.030 3 933 87 87 TYR HE1 H 7.178 0.030 3 934 87 87 TYR HE2 H 6.942 0.030 3 935 87 87 TYR CA C 57.226 0.300 1 936 87 87 TYR CB C 37.439 0.300 1 937 87 87 TYR CD1 C 134.103 0.300 3 938 87 87 TYR CD2 C 134.157 0.300 3 939 87 87 TYR CE1 C 118.149 0.300 3 940 87 87 TYR CE2 C 119.579 0.300 3 941 87 87 TYR N N 126.512 0.300 1 942 88 88 PRO HA H 4.347 0.030 1 943 88 88 PRO HB2 H 1.475 0.030 2 944 88 88 PRO HB3 H 0.592 0.030 2 945 88 88 PRO HD2 H 3.012 0.030 1 946 88 88 PRO HD3 H 3.012 0.030 1 947 88 88 PRO HG2 H 1.284 0.030 2 948 88 88 PRO HG3 H 0.595 0.030 2 949 88 88 PRO C C 177.247 0.300 1 950 88 88 PRO CA C 63.015 0.300 1 951 88 88 PRO CB C 32.855 0.300 1 952 88 88 PRO CD C 49.491 0.300 1 953 88 88 PRO CG C 24.885 0.300 1 954 89 89 TYR H H 9.197 0.030 1 955 89 89 TYR HA H 4.164 0.030 1 956 89 89 TYR HB2 H 3.285 0.030 2 957 89 89 TYR HB3 H 3.050 0.030 2 958 89 89 TYR HD1 H 7.056 0.030 1 959 89 89 TYR HD2 H 7.056 0.030 1 960 89 89 TYR HE1 H 6.670 0.030 1 961 89 89 TYR HE2 H 6.670 0.030 1 962 89 89 TYR C C 174.801 0.300 1 963 89 89 TYR CA C 61.729 0.300 1 964 89 89 TYR CB C 36.652 0.300 1 965 89 89 TYR CD1 C 132.551 0.300 1 966 89 89 TYR CD2 C 132.551 0.300 1 967 89 89 TYR CE1 C 118.407 0.300 1 968 89 89 TYR CE2 C 118.407 0.300 1 969 89 89 TYR N N 129.747 0.300 1 970 90 90 LEU H H 7.077 0.030 1 971 90 90 LEU HA H 4.503 0.030 1 972 90 90 LEU HB2 H 1.602 0.030 2 973 90 90 LEU HB3 H 1.286 0.030 2 974 90 90 LEU HD1 H 0.971 0.030 1 975 90 90 LEU HD2 H 0.977 0.030 1 976 90 90 LEU HG H 1.656 0.030 1 977 90 90 LEU C C 175.356 0.300 1 978 90 90 LEU CA C 53.571 0.300 1 979 90 90 LEU CB C 45.026 0.300 1 980 90 90 LEU CD1 C 25.073 0.300 2 981 90 90 LEU CD2 C 23.940 0.300 2 982 90 90 LEU CG C 27.240 0.300 1 983 90 90 LEU N N 119.152 0.300 1 984 91 91 ALA H H 7.671 0.030 1 985 91 91 ALA HA H 4.509 0.030 1 986 91 91 ALA HB H 1.401 0.030 1 987 91 91 ALA C C 178.156 0.300 1 988 91 91 ALA CA C 52.670 0.300 1 989 91 91 ALA CB C 19.976 0.300 1 990 91 91 ALA N N 120.445 0.300 1 991 92 92 LEU H H 8.106 0.030 1 992 92 92 LEU HA H 4.034 0.030 1 993 92 92 LEU HB2 H 1.536 0.030 2 994 92 92 LEU HB3 H 1.129 0.030 2 995 92 92 LEU HD1 H 0.314 0.030 1 996 92 92 LEU HD2 H 0.323 0.030 1 997 92 92 LEU HG H 1.513 0.030 1 998 92 92 LEU C C 175.326 0.300 1 999 92 92 LEU CA C 53.813 0.300 1 1000 92 92 LEU CB C 42.227 0.300 1 1001 92 92 LEU CD1 C 23.933 0.300 2 1002 92 92 LEU CD2 C 26.538 0.300 2 1003 92 92 LEU CG C 26.285 0.300 1 1004 92 92 LEU N N 117.476 0.300 1 1005 93 93 GLN H H 7.654 0.030 1 1006 93 93 GLN HA H 4.514 0.030 1 1007 93 93 GLN HB2 H 1.940 0.030 1 1008 93 93 GLN HB3 H 1.940 0.030 1 1009 93 93 GLN HE21 H 7.379 0.030 2 1010 93 93 GLN HE22 H 6.574 0.030 2 1011 93 93 GLN HG2 H 2.255 0.030 2 1012 93 93 GLN HG3 H 2.181 0.030 2 1013 93 93 GLN C C 174.134 0.300 1 1014 93 93 GLN CA C 55.133 0.300 1 1015 93 93 GLN CB C 30.262 0.300 1 1016 93 93 GLN CG C 33.764 0.300 1 1017 93 93 GLN N N 118.794 0.300 1 1018 93 93 GLN NE2 N 111.208 0.300 1 1019 94 94 LEU H H 8.338 0.030 1 1020 94 94 LEU HA H 5.343 0.030 1 1021 94 94 LEU HB2 H 1.562 0.030 2 1022 94 94 LEU HB3 H 1.220 0.030 2 1023 94 94 LEU HD1 H 0.673 0.030 1 1024 94 94 LEU HD2 H 0.754 0.030 1 1025 94 94 LEU HG H 1.347 0.030 1 1026 94 94 LEU C C 176.493 0.300 1 1027 94 94 LEU CA C 53.344 0.300 1 1028 94 94 LEU CB C 45.964 0.300 1 1029 94 94 LEU CD1 C 26.997 0.300 2 1030 94 94 LEU CD2 C 25.651 0.300 2 1031 94 94 LEU CG C 26.516 0.300 1 1032 94 94 LEU N N 123.054 0.300 1 1033 95 95 PHE H H 8.659 0.030 1 1034 95 95 PHE HA H 4.500 0.030 1 1035 95 95 PHE HB2 H 2.906 0.030 1 1036 95 95 PHE HB3 H 2.906 0.030 1 1037 95 95 PHE HD1 H 7.052 0.030 1 1038 95 95 PHE HD2 H 7.052 0.030 1 1039 95 95 PHE HE1 H 7.206 0.030 1 1040 95 95 PHE HE2 H 7.206 0.030 1 1041 95 95 PHE C C 173.939 0.300 1 1042 95 95 PHE CA C 57.944 0.300 1 1043 95 95 PHE CB C 42.356 0.300 1 1044 95 95 PHE CD1 C 131.522 0.300 1 1045 95 95 PHE CD2 C 131.522 0.300 1 1046 95 95 PHE CE1 C 131.300 0.300 1 1047 95 95 PHE CE2 C 131.300 0.300 1 1048 95 95 PHE N N 121.518 0.300 1 1049 96 96 GLY H H 10.014 0.030 1 1050 96 96 GLY HA2 H 5.025 0.030 2 1051 96 96 GLY HA3 H 2.724 0.030 2 1052 96 96 GLY CA C 43.768 0.300 1 1053 96 96 GLY N N 117.067 0.300 1 1054 97 97 ARG H H 8.660 0.030 1 1055 97 97 ARG HA H 4.620 0.030 1 1056 97 97 ARG HB2 H 1.734 0.030 1 1057 97 97 ARG HB3 H 1.734 0.030 1 1058 97 97 ARG HD2 H 3.178 0.030 1 1059 97 97 ARG HD3 H 3.178 0.030 1 1060 97 97 ARG HG2 H 1.639 0.030 2 1061 97 97 ARG HG3 H 1.549 0.030 2 1062 97 97 ARG CA C 54.494 0.300 1 1063 97 97 ARG CB C 34.054 0.300 1 1064 97 97 ARG CD C 43.506 0.300 1 1065 97 97 ARG CG C 27.222 0.300 1 1066 97 97 ARG N N 120.598 0.300 1 1067 98 98 SER H H 8.213 0.030 1 1068 98 98 SER HA H 4.906 0.030 1 1069 98 98 SER HB2 H 4.226 0.030 2 1070 98 98 SER HB3 H 3.405 0.030 2 1071 98 98 SER CA C 57.214 0.300 1 1072 98 98 SER CB C 65.960 0.300 1 1073 98 98 SER N N 114.067 0.300 1 1074 99 99 SER HA H 4.472 0.030 1 1075 99 99 SER HB2 H 4.080 0.030 2 1076 99 99 SER HB3 H 3.990 0.030 2 1077 99 99 SER C C 174.976 0.300 1 1078 99 99 SER CA C 60.659 0.300 1 1079 99 99 SER CB C 62.916 0.300 1 1080 100 100 GLU H H 8.174 0.030 1 1081 100 100 GLU HA H 4.440 0.030 1 1082 100 100 GLU HB2 H 2.494 0.030 2 1083 100 100 GLU HB3 H 2.019 0.030 2 1084 100 100 GLU HG2 H 2.337 0.030 1 1085 100 100 GLU HG3 H 2.337 0.030 1 1086 100 100 GLU C C 175.519 0.300 1 1087 100 100 GLU CA C 56.827 0.300 1 1088 100 100 GLU CB C 30.035 0.300 1 1089 100 100 GLU CG C 37.311 0.300 1 1090 100 100 GLU N N 118.780 0.300 1 1091 101 101 LEU H H 7.163 0.030 1 1092 101 101 LEU HA H 4.537 0.030 1 1093 101 101 LEU HB2 H 1.662 0.030 2 1094 101 101 LEU HB3 H 1.440 0.030 2 1095 101 101 LEU HD1 H 0.436 0.030 1 1096 101 101 LEU HD2 H 0.043 0.030 1 1097 101 101 LEU HG H 1.292 0.030 1 1098 101 101 LEU C C 176.748 0.300 1 1099 101 101 LEU CA C 53.327 0.300 1 1100 101 101 LEU CB C 44.316 0.300 1 1101 101 101 LEU CD1 C 25.355 0.300 2 1102 101 101 LEU CD2 C 23.365 0.300 2 1103 101 101 LEU CG C 26.313 0.300 1 1104 101 101 LEU N N 118.679 0.300 1 1105 102 102 ASP H H 8.535 0.030 1 1106 102 102 ASP HA H 4.663 0.030 1 1107 102 102 ASP HB2 H 3.109 0.030 2 1108 102 102 ASP HB3 H 2.704 0.030 2 1109 102 102 ASP C C 176.319 0.300 1 1110 102 102 ASP CA C 53.184 0.300 1 1111 102 102 ASP CB C 41.706 0.300 1 1112 102 102 ASP N N 122.755 0.300 1 1113 103 103 ARG H H 8.586 0.030 1 1114 103 103 ARG HA H 4.011 0.030 1 1115 103 103 ARG HB2 H 1.922 0.030 2 1116 103 103 ARG HB3 H 1.813 0.030 2 1117 103 103 ARG HD2 H 3.222 0.030 1 1118 103 103 ARG HD3 H 3.222 0.030 1 1119 103 103 ARG HG2 H 1.591 0.030 1 1120 103 103 ARG HG3 H 1.591 0.030 1 1121 103 103 ARG C C 178.673 0.300 1 1122 103 103 ARG CA C 59.805 0.300 1 1123 103 103 ARG CB C 30.045 0.300 1 1124 103 103 ARG CD C 43.402 0.300 1 1125 103 103 ARG CG C 26.753 0.300 1 1126 103 103 ARG N N 119.227 0.300 1 1127 104 104 HIS H H 8.286 0.030 1 1128 104 104 HIS HA H 4.441 0.030 1 1129 104 104 HIS HB2 H 3.295 0.030 2 1130 104 104 HIS HB3 H 3.258 0.030 2 1131 104 104 HIS HD2 H 7.080 0.030 1 1132 104 104 HIS HE1 H 7.822 0.030 1 1133 104 104 HIS C C 178.198 0.300 1 1134 104 104 HIS CA C 59.570 0.300 1 1135 104 104 HIS CB C 30.496 0.300 1 1136 104 104 HIS CD2 C 119.701 0.300 1 1137 104 104 HIS CE1 C 138.594 0.300 1 1138 104 104 HIS N N 120.171 0.300 1 1139 105 105 GLN H H 8.614 0.030 1 1140 105 105 GLN HA H 4.143 0.030 1 1141 105 105 GLN HB2 H 2.262 0.030 2 1142 105 105 GLN HB3 H 2.164 0.030 2 1143 105 105 GLN HE21 H 7.653 0.030 2 1144 105 105 GLN HE22 H 6.726 0.030 2 1145 105 105 GLN HG2 H 2.799 0.030 2 1146 105 105 GLN HG3 H 2.648 0.030 2 1147 105 105 GLN C C 178.541 0.300 1 1148 105 105 GLN CA C 58.389 0.300 1 1149 105 105 GLN CB C 29.801 0.300 1 1150 105 105 GLN CG C 34.254 0.300 1 1151 105 105 GLN N N 119.041 0.300 1 1152 105 105 GLN NE2 N 110.087 0.300 1 1153 106 106 GLN H H 8.677 0.030 1 1154 106 106 GLN HA H 3.781 0.030 1 1155 106 106 GLN HB2 H 2.212 0.030 2 1156 106 106 GLN HB3 H 2.116 0.030 2 1157 106 106 GLN HE21 H 7.639 0.030 2 1158 106 106 GLN HE22 H 7.031 0.030 2 1159 106 106 GLN HG2 H 2.267 0.030 2 1160 106 106 GLN HG3 H 2.082 0.030 2 1161 106 106 GLN C C 178.605 0.300 1 1162 106 106 GLN CA C 60.042 0.300 1 1163 106 106 GLN CB C 29.853 0.300 1 1164 106 106 GLN CG C 36.000 0.300 1 1165 106 106 GLN N N 118.447 0.300 1 1166 106 106 GLN NE2 N 112.123 0.300 1 1167 107 107 LEU H H 7.822 0.030 1 1168 107 107 LEU HA H 4.257 0.030 1 1169 107 107 LEU HB2 H 1.960 0.030 2 1170 107 107 LEU HB3 H 1.870 0.030 2 1171 107 107 LEU HD1 H 1.023 0.030 1 1172 107 107 LEU HD2 H 0.988 0.030 1 1173 107 107 LEU HG H 1.760 0.030 1 1174 107 107 LEU C C 179.941 0.300 1 1175 107 107 LEU CA C 58.785 0.300 1 1176 107 107 LEU CB C 41.514 0.300 1 1177 107 107 LEU CD1 C 25.100 0.300 2 1178 107 107 LEU CD2 C 24.257 0.300 2 1179 107 107 LEU CG C 27.209 0.300 1 1180 107 107 LEU N N 122.743 0.300 1 1181 108 108 LEU H H 7.942 0.030 1 1182 108 108 LEU HA H 4.008 0.030 1 1183 108 108 LEU HB2 H 2.090 0.030 2 1184 108 108 LEU HB3 H 1.696 0.030 2 1185 108 108 LEU HD1 H 0.962 0.030 1 1186 108 108 LEU HD2 H 0.914 0.030 1 1187 108 108 LEU HG H 1.740 0.030 1 1188 108 108 LEU C C 179.551 0.300 1 1189 108 108 LEU CA C 58.180 0.300 1 1190 108 108 LEU CB C 41.299 0.300 1 1191 108 108 LEU CD1 C 25.347 0.300 2 1192 108 108 LEU CD2 C 22.435 0.300 2 1193 108 108 LEU CG C 26.532 0.300 1 1194 108 108 LEU N N 120.218 0.300 1 1195 109 109 LEU H H 8.482 0.030 1 1196 109 109 LEU HA H 2.853 0.030 1 1197 109 109 LEU HB2 H 1.536 0.030 2 1198 109 109 LEU HB3 H 0.993 0.030 2 1199 109 109 LEU HD1 H 0.670 0.030 1 1200 109 109 LEU HD2 H 0.553 0.030 1 1201 109 109 LEU HG H 1.245 0.030 1 1202 109 109 LEU C C 177.893 0.300 1 1203 109 109 LEU CA C 58.772 0.300 1 1204 109 109 LEU CB C 41.748 0.300 1 1205 109 109 LEU CD1 C 25.816 0.300 2 1206 109 109 LEU CD2 C 24.652 0.300 2 1207 109 109 LEU CG C 26.741 0.300 1 1208 109 109 LEU N N 124.326 0.300 1 1209 110 110 ASN H H 7.661 0.030 1 1210 110 110 ASN HA H 4.232 0.030 1 1211 110 110 ASN HB2 H 2.679 0.030 1 1212 110 110 ASN HB3 H 2.679 0.030 1 1213 110 110 ASN HD21 H 7.980 0.030 2 1214 110 110 ASN HD22 H 7.161 0.030 2 1215 110 110 ASN C C 177.486 0.300 1 1216 110 110 ASN CA C 57.733 0.300 1 1217 110 110 ASN CB C 39.428 0.300 1 1218 110 110 ASN N N 116.344 0.300 1 1219 110 110 ASN ND2 N 116.695 0.300 1 1220 111 111 LYS H H 8.466 0.030 1 1221 111 111 LYS HA H 4.090 0.030 1 1222 111 111 LYS HB2 H 1.975 0.030 1 1223 111 111 LYS HB3 H 1.975 0.030 1 1224 111 111 LYS HD2 H 1.696 0.030 1 1225 111 111 LYS HD3 H 1.696 0.030 1 1226 111 111 LYS HE2 H 2.988 0.030 1 1227 111 111 LYS HE3 H 2.988 0.030 1 1228 111 111 LYS HG2 H 1.612 0.030 2 1229 111 111 LYS HG3 H 1.461 0.030 2 1230 111 111 LYS C C 179.769 0.300 1 1231 111 111 LYS CA C 59.805 0.300 1 1232 111 111 LYS CB C 32.359 0.300 1 1233 111 111 LYS CD C 29.652 0.300 1 1234 111 111 LYS CE C 42.050 0.300 1 1235 111 111 LYS CG C 25.136 0.300 1 1236 111 111 LYS N N 123.137 0.300 1 1237 112 112 GLY H H 8.272 0.030 1 1238 112 112 GLY HA2 H 3.884 0.030 1 1239 112 112 GLY HA3 H 3.884 0.030 1 1240 112 112 GLY C C 175.632 0.300 1 1241 112 112 GLY CA C 47.471 0.300 1 1242 112 112 GLY N N 108.697 0.300 1 1243 113 113 LEU H H 8.231 0.030 1 1244 113 113 LEU HA H 2.525 0.030 1 1245 113 113 LEU HB2 H 1.658 0.030 2 1246 113 113 LEU HB3 H 1.155 0.030 2 1247 113 113 LEU HD1 H 0.773 0.030 1 1248 113 113 LEU HD2 H 0.710 0.030 1 1249 113 113 LEU HG H 1.137 0.030 1 1250 113 113 LEU C C 177.810 0.300 1 1251 113 113 LEU CA C 57.422 0.300 1 1252 113 113 LEU CB C 41.964 0.300 1 1253 113 113 LEU CD1 C 22.312 0.300 2 1254 113 113 LEU CD2 C 26.050 0.300 2 1255 113 113 LEU N N 125.815 0.300 1 1256 114 114 THR H H 8.384 0.030 1 1257 114 114 THR HA H 3.688 0.030 1 1258 114 114 THR HB H 4.261 0.030 1 1259 114 114 THR HG2 H 1.240 0.030 1 1260 114 114 THR C C 177.702 0.300 1 1261 114 114 THR CA C 67.392 0.300 1 1262 114 114 THR CB C 68.577 0.300 1 1263 114 114 THR CG2 C 21.363 0.300 1 1264 114 114 THR N N 114.072 0.300 1 1265 115 115 SER H H 8.037 0.030 1 1266 115 115 SER HA H 4.198 0.030 1 1267 115 115 SER HB2 H 4.029 0.030 2 1268 115 115 SER HB3 H 3.943 0.030 2 1269 115 115 SER CA C 62.149 0.300 1 1270 115 115 SER CB C 62.618 0.300 1 1271 115 115 SER N N 118.234 0.300 1 1272 116 116 TYR H H 7.661 0.030 1 1273 116 116 TYR HA H 4.417 0.030 1 1274 116 116 TYR HB2 H 2.811 0.030 2 1275 116 116 TYR HB3 H 2.380 0.030 2 1276 116 116 TYR HD1 H 6.849 0.030 1 1277 116 116 TYR HD2 H 6.849 0.030 1 1278 116 116 TYR HE1 H 6.858 0.030 1 1279 116 116 TYR HE2 H 6.858 0.030 1 1280 116 116 TYR CA C 60.730 0.300 1 1281 116 116 TYR CB C 37.667 0.300 1 1282 116 116 TYR CD1 C 133.353 0.300 1 1283 116 116 TYR CD2 C 133.353 0.300 1 1284 116 116 TYR CE1 C 118.540 0.300 1 1285 116 116 TYR CE2 C 118.540 0.300 1 1286 116 116 TYR N N 122.182 0.300 1 1287 117 117 ILE H H 8.318 0.030 1 1288 117 117 ILE HA H 3.730 0.030 1 1289 117 117 ILE HB H 2.007 0.030 1 1290 117 117 ILE HD1 H 0.548 0.030 1 1291 117 117 ILE HG12 H 1.616 0.030 2 1292 117 117 ILE HG13 H 1.247 0.030 2 1293 117 117 ILE HG2 H 0.903 0.030 1 1294 117 117 ILE C C 178.408 0.300 1 1295 117 117 ILE CA C 61.433 0.300 1 1296 117 117 ILE CB C 36.104 0.300 1 1297 117 117 ILE CD1 C 10.579 0.300 1 1298 117 117 ILE CG1 C 27.831 0.300 1 1299 117 117 ILE CG2 C 18.326 0.300 1 1300 117 117 ILE N N 121.197 0.300 1 1301 118 118 GLY H H 7.878 0.030 1 1302 118 118 GLY HA2 H 4.234 0.030 2 1303 118 118 GLY HA3 H 3.886 0.030 2 1304 118 118 GLY C C 174.465 0.300 1 1305 118 118 GLY CA C 46.207 0.300 1 1306 118 118 GLY N N 107.948 0.300 1 1307 119 119 THR H H 7.698 0.030 1 1308 119 119 THR HA H 4.347 0.030 1 1309 119 119 THR HB H 4.272 0.030 1 1310 119 119 THR HG2 H 1.389 0.030 1 1311 119 119 THR C C 174.880 0.300 1 1312 119 119 THR CA C 62.630 0.300 1 1313 119 119 THR CB C 70.562 0.300 1 1314 119 119 THR CG2 C 21.140 0.300 1 1315 119 119 THR N N 109.788 0.300 1 1316 120 120 PHE H H 7.448 0.030 1 1317 120 120 PHE HA H 4.255 0.030 1 1318 120 120 PHE HB2 H 3.105 0.030 2 1319 120 120 PHE HB3 H 2.830 0.030 2 1320 120 120 PHE HD1 H 7.231 0.030 1 1321 120 120 PHE HD2 H 7.231 0.030 1 1322 120 120 PHE HE1 H 6.688 0.030 1 1323 120 120 PHE HE2 H 6.688 0.030 1 1324 120 120 PHE HZ H 7.175 0.030 1 1325 120 120 PHE C C 176.024 0.300 1 1326 120 120 PHE CA C 58.632 0.300 1 1327 120 120 PHE CB C 39.190 0.300 1 1328 120 120 PHE CD1 C 131.760 0.300 1 1329 120 120 PHE CD2 C 131.760 0.300 1 1330 120 120 PHE CE1 C 130.681 0.300 1 1331 120 120 PHE CE2 C 130.681 0.300 1 1332 120 120 PHE CZ C 129.562 0.300 1 1333 120 120 PHE N N 123.019 0.300 1 1334 121 121 ASP H H 9.015 0.030 1 1335 121 121 ASP HA H 4.799 0.030 1 1336 121 121 ASP HB2 H 2.678 0.030 2 1337 121 121 ASP HB3 H 2.467 0.030 2 1338 121 121 ASP C C 174.142 0.300 1 1339 121 121 ASP CA C 53.184 0.300 1 1340 121 121 ASP CB C 39.880 0.300 1 1341 121 121 ASP N N 124.075 0.300 1 1342 122 122 PRO HA H 4.375 0.030 1 1343 122 122 PRO HB2 H 2.578 0.030 2 1344 122 122 PRO HB3 H 1.992 0.030 2 1345 122 122 PRO HD2 H 3.984 0.030 2 1346 122 122 PRO HD3 H 3.656 0.030 2 1347 122 122 PRO HG2 H 2.244 0.030 2 1348 122 122 PRO HG3 H 2.175 0.030 2 1349 122 122 PRO CA C 64.024 0.300 1 1350 122 122 PRO CB C 31.910 0.300 1 1351 122 122 PRO CD C 50.552 0.300 1 1352 122 122 PRO CG C 28.066 0.300 1 1353 123 123 GLY H H 7.964 0.030 1 1354 123 123 GLY HA2 H 4.200 0.030 2 1355 123 123 GLY HA3 H 2.239 0.030 2 1356 123 123 GLY CA C 44.552 0.300 1 1357 123 123 GLY N N 112.255 0.300 1 1358 124 124 GLU H H 7.378 0.030 1 1359 124 124 GLU HA H 4.302 0.030 1 1360 124 124 GLU HB2 H 2.117 0.030 2 1361 124 124 GLU HB3 H 2.036 0.030 2 1362 124 124 GLU HG2 H 2.437 0.030 2 1363 124 124 GLU HG3 H 2.132 0.030 2 1364 124 124 GLU CA C 55.779 0.300 1 1365 124 124 GLU CB C 30.504 0.300 1 1366 124 124 GLU CG C 36.820 0.300 1 1367 124 124 GLU N N 118.076 0.300 1 1368 125 125 LEU H H 8.406 0.030 1 1369 125 125 LEU HA H 4.416 0.030 1 1370 125 125 LEU HB2 H 1.807 0.030 2 1371 125 125 LEU HB3 H 1.697 0.030 2 1372 125 125 LEU HD1 H 0.918 0.030 1 1373 125 125 LEU HD2 H 0.728 0.030 1 1374 125 125 LEU HG H 1.755 0.030 1 1375 125 125 LEU CA C 55.178 0.300 1 1376 125 125 LEU CB C 40.127 0.300 1 1377 125 125 LEU CD1 C 25.347 0.300 2 1378 125 125 LEU CD2 C 21.362 0.300 2 1379 125 125 LEU CG C 26.519 0.300 1 1380 125 125 LEU N N 123.884 0.300 1 1381 126 126 CYS H H 8.984 0.030 1 1382 126 126 CYS HA H 4.623 0.030 1 1383 126 126 CYS HB2 H 2.595 0.030 2 1384 126 126 CYS HB3 H 2.469 0.030 2 1385 126 126 CYS CA C 60.569 0.300 1 1386 126 126 CYS CB C 31.676 0.300 1 1387 126 126 CYS N N 118.663 0.300 1 1388 127 127 VAL H H 10.035 0.030 1 1389 127 127 VAL HA H 3.359 0.030 1 1390 127 127 VAL HB H 2.178 0.030 1 1391 127 127 VAL HG1 H 0.986 0.030 1 1392 127 127 VAL HG2 H 0.963 0.030 1 1393 127 127 VAL C C 178.322 0.300 1 1394 127 127 VAL CA C 69.181 0.300 1 1395 127 127 VAL CB C 30.980 0.300 1 1396 127 127 VAL CG1 C 24.867 0.300 2 1397 127 127 VAL CG2 C 23.237 0.300 2 1398 127 127 VAL N N 124.379 0.300 1 1399 128 128 CYS H H 8.905 0.030 1 1400 128 128 CYS HA H 4.078 0.030 1 1401 128 128 CYS HB2 H 2.998 0.030 2 1402 128 128 CYS HB3 H 2.869 0.030 2 1403 128 128 CYS C C 177.599 0.300 1 1404 128 128 CYS CA C 64.778 0.300 1 1405 128 128 CYS CB C 25.765 0.300 1 1406 128 128 CYS N N 116.434 0.300 1 1407 129 129 ALA H H 8.203 0.030 1 1408 129 129 ALA HA H 4.370 0.030 1 1409 129 129 ALA HB H 1.577 0.030 1 1410 129 129 ALA C C 180.544 0.300 1 1411 129 129 ALA CA C 55.104 0.300 1 1412 129 129 ALA CB C 18.228 0.300 1 1413 129 129 ALA N N 123.363 0.300 1 1414 130 130 ALA H H 8.257 0.030 1 1415 130 130 ALA HA H 4.087 0.030 1 1416 130 130 ALA HB H 1.499 0.030 1 1417 130 130 ALA C C 178.598 0.300 1 1418 130 130 ALA CA C 55.351 0.300 1 1419 130 130 ALA CB C 18.561 0.300 1 1420 130 130 ALA N N 123.169 0.300 1 1421 131 131 ILE H H 8.080 0.030 1 1422 131 131 ILE HA H 3.528 0.030 1 1423 131 131 ILE HB H 2.075 0.030 1 1424 131 131 ILE HD1 H 0.932 0.030 1 1425 131 131 ILE HG12 H 1.875 0.030 2 1426 131 131 ILE HG13 H 0.985 0.030 2 1427 131 131 ILE HG2 H 1.062 0.030 1 1428 131 131 ILE C C 177.786 0.300 1 1429 131 131 ILE CA C 65.988 0.300 1 1430 131 131 ILE CB C 38.402 0.300 1 1431 131 131 ILE CD1 C 14.827 0.300 1 1432 131 131 ILE CG1 C 29.052 0.300 1 1433 131 131 ILE CG2 C 17.134 0.300 1 1434 131 131 ILE N N 118.070 0.300 1 1435 132 132 GLN H H 8.206 0.030 1 1436 132 132 GLN HA H 4.005 0.030 1 1437 132 132 GLN HB2 H 2.278 0.030 2 1438 132 132 GLN HB3 H 2.234 0.030 2 1439 132 132 GLN HE21 H 7.916 0.030 2 1440 132 132 GLN HE22 H 6.932 0.030 2 1441 132 132 GLN HG2 H 2.461 0.030 1 1442 132 132 GLN HG3 H 2.461 0.030 1 1443 132 132 GLN C C 177.620 0.300 1 1444 132 132 GLN CA C 58.415 0.300 1 1445 132 132 GLN CB C 28.384 0.300 1 1446 132 132 GLN CG C 33.535 0.300 1 1447 132 132 GLN N N 119.015 0.300 1 1448 132 132 GLN NE2 N 116.021 0.300 1 1449 133 133 TRP H H 8.551 0.030 1 1450 133 133 TRP HA H 3.990 0.030 1 1451 133 133 TRP HB2 H 3.446 0.030 2 1452 133 133 TRP HB3 H 3.049 0.030 2 1453 133 133 TRP HD1 H 5.553 0.030 1 1454 133 133 TRP HE1 H 10.002 0.030 1 1455 133 133 TRP HE3 H 7.140 0.030 1 1456 133 133 TRP HH2 H 7.182 0.030 1 1457 133 133 TRP HZ2 H 7.272 0.030 1 1458 133 133 TRP HZ3 H 6.699 0.030 1 1459 133 133 TRP C C 180.593 0.300 1 1460 133 133 TRP CA C 62.617 0.300 1 1461 133 133 TRP CB C 29.275 0.300 1 1462 133 133 TRP CD1 C 128.216 0.300 1 1463 133 133 TRP CE3 C 120.408 0.300 1 1464 133 133 TRP CH2 C 124.267 0.300 1 1465 133 133 TRP CZ2 C 113.692 0.300 1 1466 133 133 TRP CZ3 C 120.307 0.300 1 1467 133 133 TRP N N 120.239 0.300 1 1468 133 133 TRP NE1 N 130.693 0.300 1 1469 134 134 LEU H H 8.465 0.030 1 1470 134 134 LEU HA H 4.049 0.030 1 1471 134 134 LEU HB2 H 2.329 0.030 2 1472 134 134 LEU HB3 H 1.270 0.030 2 1473 134 134 LEU HD1 H 0.911 0.030 1 1474 134 134 LEU HD2 H 1.115 0.030 1 1475 134 134 LEU HG H 2.266 0.030 1 1476 134 134 LEU CA C 58.191 0.300 1 1477 134 134 LEU CB C 41.949 0.300 1 1478 134 134 LEU CD1 C 27.682 0.300 2 1479 134 134 LEU CD2 C 24.168 0.300 2 1480 134 134 LEU CG C 27.355 0.300 1 1481 134 134 LEU N N 119.649 0.300 1 1482 135 135 GLN H H 8.429 0.030 1 1483 135 135 GLN HA H 4.137 0.030 1 1484 135 135 GLN HB2 H 2.302 0.030 2 1485 135 135 GLN HB3 H 2.187 0.030 2 1486 135 135 GLN HE21 H 7.287 0.030 2 1487 135 135 GLN HE22 H 6.946 0.030 2 1488 135 135 GLN HG2 H 2.629 0.030 2 1489 135 135 GLN HG3 H 2.481 0.030 2 1490 135 135 GLN CA C 59.467 0.300 1 1491 135 135 GLN CB C 27.514 0.300 1 1492 135 135 GLN CG C 32.839 0.300 1 1493 135 135 GLN N N 120.862 0.300 1 1494 135 135 GLN NE2 N 108.924 0.300 1 1495 136 136 ASP H H 8.284 0.030 1 1496 136 136 ASP HA H 4.521 0.030 1 1497 136 136 ASP HB2 H 2.451 0.030 1 1498 136 136 ASP HB3 H 2.451 0.030 1 1499 136 136 ASP CA C 56.581 0.300 1 1500 136 136 ASP CB C 41.473 0.300 1 1501 136 136 ASP N N 117.508 0.300 1 1502 137 137 ASN H H 8.012 0.030 1 1503 137 137 ASN HA H 4.739 0.030 1 1504 137 137 ASN HB2 H 1.891 0.030 2 1505 137 137 ASN HB3 H 0.763 0.030 2 1506 137 137 ASN HD21 H 6.820 0.030 2 1507 137 137 ASN HD22 H 5.558 0.030 2 1508 137 137 ASN CA C 54.179 0.300 1 1509 137 137 ASN CB C 39.788 0.300 1 1510 137 137 ASN N N 112.977 0.300 1 1511 137 137 ASN ND2 N 116.261 0.300 1 1512 138 138 SER H H 7.934 0.030 1 1513 138 138 SER HA H 4.165 0.030 1 1514 138 138 SER HB2 H 3.979 0.030 2 1515 138 138 SER HB3 H 3.851 0.030 2 1516 138 138 SER C C 176.116 0.300 1 1517 138 138 SER CA C 65.318 0.300 1 1518 138 138 SER CB C 63.395 0.300 1 1519 138 138 SER N N 117.800 0.300 1 1520 139 139 ALA H H 8.799 0.030 1 1521 139 139 ALA HA H 3.954 0.030 1 1522 139 139 ALA HB H 1.436 0.030 1 1523 139 139 ALA C C 179.165 0.300 1 1524 139 139 ALA CA C 55.775 0.300 1 1525 139 139 ALA CB C 18.433 0.300 1 1526 139 139 ALA N N 122.556 0.300 1 1527 140 140 SER H H 7.668 0.030 1 1528 140 140 SER HA H 4.059 0.030 1 1529 140 140 SER HB2 H 3.581 0.030 1 1530 140 140 SER HB3 H 3.581 0.030 1 1531 140 140 SER C C 174.639 0.300 1 1532 140 140 SER CA C 60.895 0.300 1 1533 140 140 SER CB C 62.730 0.300 1 1534 140 140 SER N N 110.787 0.300 1 1535 141 141 TYR H H 7.699 0.030 1 1536 141 141 TYR HA H 4.375 0.030 1 1537 141 141 TYR HB2 H 2.941 0.030 2 1538 141 141 TYR HB3 H 2.712 0.030 2 1539 141 141 TYR HD1 H 7.241 0.030 1 1540 141 141 TYR HD2 H 7.241 0.030 1 1541 141 141 TYR HE1 H 6.670 0.030 1 1542 141 141 TYR HE2 H 6.670 0.030 1 1543 141 141 TYR C C 175.676 0.300 1 1544 141 141 TYR CA C 59.580 0.300 1 1545 141 141 TYR CB C 39.183 0.300 1 1546 141 141 TYR CD1 C 133.818 0.300 1 1547 141 141 TYR CD2 C 133.818 0.300 1 1548 141 141 TYR CE1 C 118.407 0.300 1 1549 141 141 TYR CE2 C 118.407 0.300 1 1550 141 141 TYR N N 117.831 0.300 1 1551 142 142 PHE H H 7.603 0.030 1 1552 142 142 PHE HA H 4.396 0.030 1 1553 142 142 PHE HB2 H 3.123 0.030 2 1554 142 142 PHE HB3 H 2.806 0.030 2 1555 142 142 PHE HD1 H 7.400 0.030 1 1556 142 142 PHE HD2 H 7.400 0.030 1 1557 142 142 PHE HE1 H 7.177 0.030 1 1558 142 142 PHE HE2 H 7.177 0.030 1 1559 142 142 PHE HZ H 6.990 0.030 1 1560 142 142 PHE C C 176.167 0.300 1 1561 142 142 PHE CA C 58.755 0.300 1 1562 142 142 PHE CB C 39.495 0.300 1 1563 142 142 PHE CD1 C 132.434 0.300 1 1564 142 142 PHE CD2 C 132.434 0.300 1 1565 142 142 PHE CE1 C 131.076 0.300 1 1566 142 142 PHE CE2 C 131.076 0.300 1 1567 142 142 PHE CZ C 129.659 0.300 1 1568 142 142 PHE N N 117.356 0.300 1 1569 143 143 LEU H H 7.740 0.030 1 1570 143 143 LEU HA H 4.313 0.030 1 1571 143 143 LEU HB2 H 1.696 0.030 2 1572 143 143 LEU HB3 H 1.562 0.030 2 1573 143 143 LEU HD1 H 0.889 0.030 1 1574 143 143 LEU HD2 H 0.840 0.030 1 1575 143 143 LEU HG H 1.593 0.030 1 1576 143 143 LEU C C 177.113 0.300 1 1577 143 143 LEU CA C 55.476 0.300 1 1578 143 143 LEU CB C 42.326 0.300 1 1579 143 143 LEU CD1 C 25.102 0.300 2 1580 143 143 LEU CD2 C 23.010 0.300 2 1581 143 143 LEU CG C 27.063 0.300 1 1582 143 143 LEU N N 120.131 0.300 1 1583 144 144 ASN H H 8.325 0.030 1 1584 144 144 ASN HA H 4.656 0.030 1 1585 144 144 ASN HB2 H 2.903 0.030 2 1586 144 144 ASN HB3 H 2.796 0.030 2 1587 144 144 ASN HD21 H 7.652 0.030 2 1588 144 144 ASN HD22 H 6.942 0.030 2 1589 144 144 ASN C C 175.223 0.300 1 1590 144 144 ASN CA C 53.465 0.300 1 1591 144 144 ASN CB C 38.301 0.300 1 1592 144 144 ASN N N 118.338 0.300 1 1593 144 144 ASN ND2 N 112.772 0.300 1 1594 145 145 ARG H H 8.214 0.030 1 1595 145 145 ARG HA H 4.336 0.030 1 1596 145 145 ARG HB2 H 1.903 0.030 2 1597 145 145 ARG HB3 H 1.778 0.030 2 1598 145 145 ARG HD2 H 3.205 0.030 1 1599 145 145 ARG HD3 H 3.205 0.030 1 1600 145 145 ARG HG2 H 1.638 0.030 1 1601 145 145 ARG HG3 H 1.638 0.030 1 1602 145 145 ARG C C 176.108 0.300 1 1603 145 145 ARG CA C 56.064 0.300 1 1604 145 145 ARG CB C 30.717 0.300 1 1605 145 145 ARG CD C 43.366 0.300 1 1606 145 145 ARG CG C 27.200 0.300 1 1607 145 145 ARG N N 121.052 0.300 1 1608 146 146 LYS H H 8.319 0.030 1 1609 146 146 LYS HA H 4.298 0.030 1 1610 146 146 LYS HB2 H 1.822 0.030 2 1611 146 146 LYS HB3 H 1.767 0.030 2 1612 146 146 LYS HE2 H 2.982 0.030 1 1613 146 146 LYS HE3 H 2.982 0.030 1 1614 146 146 LYS HG2 H 1.460 0.030 2 1615 146 146 LYS HG3 H 1.395 0.030 2 1616 146 146 LYS C C 176.388 0.300 1 1617 146 146 LYS CA C 56.298 0.300 1 1618 146 146 LYS CB C 32.838 0.300 1 1619 146 146 LYS CD C 29.111 0.300 1 1620 146 146 LYS CE C 42.050 0.300 1 1621 146 146 LYS CG C 24.825 0.300 1 1622 146 146 LYS N N 122.010 0.300 1 1623 147 147 LEU H H 8.246 0.030 1 1624 147 147 LEU HA H 4.383 0.030 1 1625 147 147 LEU HB2 H 1.655 0.030 2 1626 147 147 LEU HB3 H 1.585 0.030 2 1627 147 147 LEU HD1 H 0.921 0.030 1 1628 147 147 LEU HD2 H 0.855 0.030 1 1629 147 147 LEU C C 177.239 0.300 1 1630 147 147 LEU CA C 55.145 0.300 1 1631 147 147 LEU CB C 42.256 0.300 1 1632 147 147 LEU CD1 C 25.119 0.300 2 1633 147 147 LEU CD2 C 23.445 0.300 2 1634 147 147 LEU CG C 27.215 0.300 1 1635 147 147 LEU N N 123.640 0.300 1 1636 148 148 VAL H H 8.135 0.030 1 1637 148 148 VAL HA H 4.182 0.030 1 1638 148 148 VAL HB H 2.102 0.030 1 1639 148 148 VAL HG1 H 0.939 0.030 1 1640 148 148 VAL HG2 H 0.942 0.030 1 1641 148 148 VAL C C 176.027 0.300 1 1642 148 148 VAL CA C 62.139 0.300 1 1643 148 148 VAL CB C 32.861 0.300 1 1644 148 148 VAL CG1 C 20.475 0.300 2 1645 148 148 VAL CG2 C 21.128 0.300 2 1646 148 148 VAL N N 121.092 0.300 1 1647 149 149 SER H H 8.383 0.030 1 1648 149 149 SER HA H 4.522 0.030 1 1649 149 149 SER HB2 H 3.872 0.030 1 1650 149 149 SER HB3 H 3.872 0.030 1 1651 149 149 SER C C 174.438 0.300 1 1652 149 149 SER CA C 58.208 0.300 1 1653 149 149 SER CB C 63.931 0.300 1 1654 149 149 SER N N 119.602 0.300 1 1655 150 150 GLY H H 8.246 0.030 1 1656 150 150 GLY C C 171.738 0.300 1 1657 150 150 GLY CA C 44.720 0.300 1 1658 150 150 GLY N N 110.854 0.300 1 stop_ save_