data_11141 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the CH domain from human Vav-3 protein ; _BMRB_accession_number 11141 _BMRB_flat_file_name bmr11141.str _Entry_type original _Submission_date 2010-03-31 _Accession_date 2010-03-31 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tomizawa T. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 841 "13C chemical shifts" 635 "15N chemical shifts" 140 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-04-01 original author . stop_ _Original_release_date 2011-04-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the CH domain from human Vav-3 protein' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tomizawa T. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Vav-3 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CH domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'CH domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 143 _Mol_residue_sequence ; GSSGSSGMEPWKQCAQWLIH CKVLPTNHRVTWDSAQVFDL AQTLRDGVLLCQLLNNLRAH SINLKEINLRPQMSQFLCLK NIRTFLTACCETFGMRKSEL FEAFDLFDVRDFGKVIETLS RLSRTPIALATGIRPFPSGP SSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 GLU 10 PRO 11 TRP 12 LYS 13 GLN 14 CYS 15 ALA 16 GLN 17 TRP 18 LEU 19 ILE 20 HIS 21 CYS 22 LYS 23 VAL 24 LEU 25 PRO 26 THR 27 ASN 28 HIS 29 ARG 30 VAL 31 THR 32 TRP 33 ASP 34 SER 35 ALA 36 GLN 37 VAL 38 PHE 39 ASP 40 LEU 41 ALA 42 GLN 43 THR 44 LEU 45 ARG 46 ASP 47 GLY 48 VAL 49 LEU 50 LEU 51 CYS 52 GLN 53 LEU 54 LEU 55 ASN 56 ASN 57 LEU 58 ARG 59 ALA 60 HIS 61 SER 62 ILE 63 ASN 64 LEU 65 LYS 66 GLU 67 ILE 68 ASN 69 LEU 70 ARG 71 PRO 72 GLN 73 MET 74 SER 75 GLN 76 PHE 77 LEU 78 CYS 79 LEU 80 LYS 81 ASN 82 ILE 83 ARG 84 THR 85 PHE 86 LEU 87 THR 88 ALA 89 CYS 90 CYS 91 GLU 92 THR 93 PHE 94 GLY 95 MET 96 ARG 97 LYS 98 SER 99 GLU 100 LEU 101 PHE 102 GLU 103 ALA 104 PHE 105 ASP 106 LEU 107 PHE 108 ASP 109 VAL 110 ARG 111 ASP 112 PHE 113 GLY 114 LYS 115 VAL 116 ILE 117 GLU 118 THR 119 LEU 120 SER 121 ARG 122 LEU 123 SER 124 ARG 125 THR 126 PRO 127 ILE 128 ALA 129 LEU 130 ALA 131 THR 132 GLY 133 ILE 134 ARG 135 PRO 136 PHE 137 PRO 138 SER 139 GLY 140 PRO 141 SER 142 SER 143 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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 2D86 "Solution Structure Of The Ch Domain From Human Vav-3 Protein" 100.00 143 100.00 100.00 4.37e-100 DBJ BAI45437 "vav 3 guanine nucleotide exchange factor [synthetic construct]" 93.71 847 97.76 98.51 6.75e-89 GB AAC79695 "VAV-3 protein [Homo sapiens]" 93.71 847 97.01 98.51 2.59e-88 GB AAD20349 "VAV-3 protein [Homo sapiens]" 93.71 847 97.76 98.51 6.75e-89 GB AAI43970 "VAV3 protein [Homo sapiens]" 93.71 875 97.76 98.51 2.60e-88 GB AAI46366 "Vav 3 guanine nucleotide exchange factor, partial [synthetic construct]" 93.71 847 97.76 98.51 6.75e-89 GB AAI56727 "Vav 3 guanine nucleotide exchange factor [synthetic construct]" 93.71 847 97.76 98.51 6.75e-89 REF NP_006104 "guanine nucleotide exchange factor VAV3 isoform 1 [Homo sapiens]" 93.71 847 97.76 98.51 6.75e-89 REF XP_001083337 "PREDICTED: guanine nucleotide exchange factor VAV3 isoform 2 [Macaca mulatta]" 93.71 847 97.01 97.76 2.59e-88 REF XP_002801727 "PREDICTED: guanine nucleotide exchange factor VAV3 [Macaca mulatta]" 93.71 875 97.01 97.76 1.03e-87 REF XP_002801728 "PREDICTED: guanine nucleotide exchange factor VAV3 [Macaca mulatta]" 93.71 621 97.01 97.76 8.43e-90 REF XP_002928351 "PREDICTED: guanine nucleotide exchange factor VAV3 [Ailuropoda melanoleuca]" 93.71 847 97.01 97.76 3.81e-88 SP Q9UKW4 "RecName: Full=Guanine nucleotide exchange factor VAV3; Short=VAV-3" 93.71 847 97.76 98.51 6.75e-89 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'cell free synthesis' . Escherichia coli . P050404-11 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.23mM CH 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 1.23 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRview _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.932 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRview $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'CH domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY HA2 H 3.763 0.030 1 2 1 1 GLY HA3 H 3.763 0.030 1 3 1 1 GLY CA C 41.405 0.300 1 4 4 4 GLY HA2 H 3.934 0.030 1 5 4 4 GLY HA3 H 3.934 0.030 1 6 4 4 GLY CA C 43.066 0.300 1 7 6 6 SER HA H 4.370 0.030 1 8 6 6 SER HB2 H 3.805 0.030 1 9 6 6 SER HB3 H 3.805 0.030 1 10 6 6 SER CA C 56.335 0.300 1 11 6 6 SER CB C 61.693 0.300 1 12 7 7 GLY H H 8.340 0.030 1 13 7 7 GLY HA2 H 3.828 0.030 1 14 7 7 GLY HA3 H 3.828 0.030 1 15 7 7 GLY C C 171.417 0.300 1 16 7 7 GLY CA C 42.928 0.300 1 17 7 7 GLY N N 110.281 0.300 1 18 8 8 MET H H 8.051 0.030 1 19 8 8 MET HA H 4.301 0.030 1 20 8 8 MET HB2 H 1.827 0.030 1 21 8 8 MET HB3 H 1.827 0.030 1 22 8 8 MET HE H 1.883 0.030 1 23 8 8 MET HG2 H 2.307 0.030 2 24 8 8 MET HG3 H 2.405 0.030 2 25 8 8 MET C C 174.035 0.300 1 26 8 8 MET CA C 52.801 0.300 1 27 8 8 MET CB C 31.231 0.300 1 28 8 8 MET CE C 14.493 0.300 1 29 8 8 MET CG C 29.761 0.300 1 30 8 8 MET N N 118.898 0.300 1 31 9 9 GLU H H 8.999 0.030 1 32 9 9 GLU HA H 4.362 0.030 1 33 9 9 GLU HB2 H 2.044 0.030 2 34 9 9 GLU HB3 H 1.411 0.030 2 35 9 9 GLU HG2 H 2.434 0.030 2 36 9 9 GLU HG3 H 2.497 0.030 2 37 9 9 GLU C C 173.923 0.300 1 38 9 9 GLU CA C 54.011 0.300 1 39 9 9 GLU CB C 27.253 0.300 1 40 9 9 GLU CG C 34.788 0.300 1 41 9 9 GLU N N 124.981 0.300 1 42 10 10 PRO HA H 4.083 0.030 1 43 10 10 PRO HB2 H 2.291 0.030 2 44 10 10 PRO HB3 H 2.113 0.030 2 45 10 10 PRO HD2 H 3.879 0.030 2 46 10 10 PRO HD3 H 3.963 0.030 2 47 10 10 PRO HG2 H 1.966 0.030 2 48 10 10 PRO HG3 H 2.217 0.030 2 49 10 10 PRO C C 176.585 0.300 1 50 10 10 PRO CA C 64.415 0.300 1 51 10 10 PRO CB C 29.559 0.300 1 52 10 10 PRO CD C 48.504 0.300 1 53 10 10 PRO CG C 25.630 0.300 1 54 11 11 TRP H H 8.894 0.030 1 55 11 11 TRP HA H 3.989 0.030 1 56 11 11 TRP HB2 H 3.324 0.030 1 57 11 11 TRP HB3 H 3.324 0.030 1 58 11 11 TRP HD1 H 7.474 0.030 1 59 11 11 TRP HE1 H 10.136 0.030 1 60 11 11 TRP HE3 H 7.147 0.030 1 61 11 11 TRP HH2 H 6.763 0.030 1 62 11 11 TRP HZ2 H 7.275 0.030 1 63 11 11 TRP HZ3 H 6.770 0.030 1 64 11 11 TRP C C 174.598 0.300 1 65 11 11 TRP CA C 57.914 0.300 1 66 11 11 TRP CB C 25.363 0.300 1 67 11 11 TRP CD1 C 125.248 0.300 1 68 11 11 TRP CE3 C 117.511 0.300 1 69 11 11 TRP CH2 C 122.705 0.300 1 70 11 11 TRP CZ2 C 112.294 0.300 1 71 11 11 TRP CZ3 C 119.286 0.300 1 72 11 11 TRP N N 115.070 0.300 1 73 11 11 TRP NE1 N 129.421 0.300 1 74 12 12 LYS H H 6.273 0.030 1 75 12 12 LYS HA H 3.168 0.030 1 76 12 12 LYS HB2 H 1.256 0.030 2 77 12 12 LYS HB3 H 1.109 0.030 2 78 12 12 LYS HD2 H 1.134 0.030 2 79 12 12 LYS HD3 H 1.200 0.030 2 80 12 12 LYS HE2 H 2.559 0.030 2 81 12 12 LYS HE3 H 2.687 0.030 2 82 12 12 LYS HG2 H -0.357 0.030 2 83 12 12 LYS HG3 H -0.434 0.030 2 84 12 12 LYS C C 177.262 0.300 1 85 12 12 LYS CA C 56.890 0.300 1 86 12 12 LYS CB C 29.477 0.300 1 87 12 12 LYS CD C 27.044 0.300 1 88 12 12 LYS CE C 39.778 0.300 1 89 12 12 LYS CG C 21.788 0.300 1 90 12 12 LYS N N 122.892 0.300 1 91 13 13 GLN H H 7.450 0.030 1 92 13 13 GLN HA H 3.731 0.030 1 93 13 13 GLN HB2 H 2.086 0.030 2 94 13 13 GLN HB3 H 1.957 0.030 2 95 13 13 GLN HE21 H 7.450 0.030 2 96 13 13 GLN HE22 H 7.097 0.030 2 97 13 13 GLN HG2 H 2.164 0.030 1 98 13 13 GLN HG3 H 2.164 0.030 1 99 13 13 GLN C C 175.771 0.300 1 100 13 13 GLN CA C 56.962 0.300 1 101 13 13 GLN CB C 26.099 0.300 1 102 13 13 GLN CG C 32.443 0.300 1 103 13 13 GLN N N 119.108 0.300 1 104 13 13 GLN NE2 N 112.298 0.300 1 105 14 14 CYS H H 8.043 0.030 1 106 14 14 CYS HA H 2.172 0.030 1 107 14 14 CYS HB2 H 2.444 0.030 2 108 14 14 CYS HB3 H 2.975 0.030 2 109 14 14 CYS C C 172.950 0.300 1 110 14 14 CYS CA C 58.539 0.300 1 111 14 14 CYS CB C 24.203 0.300 1 112 14 14 CYS N N 121.209 0.300 1 113 15 15 ALA H H 7.814 0.030 1 114 15 15 ALA HA H 3.638 0.030 1 115 15 15 ALA HB H 1.264 0.030 1 116 15 15 ALA C C 175.577 0.300 1 117 15 15 ALA CA C 53.404 0.300 1 118 15 15 ALA CB C 15.168 0.300 1 119 15 15 ALA N N 119.968 0.300 1 120 16 16 GLN H H 7.448 0.030 1 121 16 16 GLN HA H 3.578 0.030 1 122 16 16 GLN HB2 H 1.864 0.030 1 123 16 16 GLN HB3 H 1.864 0.030 1 124 16 16 GLN HE21 H 6.805 0.030 2 125 16 16 GLN HE22 H 7.124 0.030 2 126 16 16 GLN HG2 H 2.056 0.030 2 127 16 16 GLN HG3 H 2.131 0.030 2 128 16 16 GLN C C 174.936 0.300 1 129 16 16 GLN CA C 55.940 0.300 1 130 16 16 GLN CB C 26.006 0.300 1 131 16 16 GLN CG C 31.441 0.300 1 132 16 16 GLN N N 113.011 0.300 1 133 16 16 GLN NE2 N 112.247 0.300 1 134 17 17 TRP H H 7.781 0.030 1 135 17 17 TRP HA H 4.208 0.030 1 136 17 17 TRP HB2 H 3.269 0.030 2 137 17 17 TRP HB3 H 2.918 0.030 2 138 17 17 TRP HD1 H 7.802 0.030 1 139 17 17 TRP HE1 H 10.548 0.030 1 140 17 17 TRP HE3 H 7.290 0.030 1 141 17 17 TRP HH2 H 6.766 0.030 1 142 17 17 TRP HZ2 H 6.964 0.030 1 143 17 17 TRP HZ3 H 6.775 0.030 1 144 17 17 TRP C C 175.699 0.300 1 145 17 17 TRP CA C 60.341 0.300 1 146 17 17 TRP CB C 26.049 0.300 1 147 17 17 TRP CD1 C 126.583 0.300 1 148 17 17 TRP CE3 C 117.324 0.300 1 149 17 17 TRP CH2 C 120.749 0.300 1 150 17 17 TRP CZ2 C 111.647 0.300 1 151 17 17 TRP N N 122.189 0.300 1 152 17 17 TRP NE1 N 132.700 0.300 1 153 18 18 LEU H H 8.303 0.030 1 154 18 18 LEU HA H 3.297 0.030 1 155 18 18 LEU HB2 H 2.015 0.030 2 156 18 18 LEU HB3 H 0.801 0.030 2 157 18 18 LEU HD1 H 0.653 0.030 1 158 18 18 LEU HD2 H 0.624 0.030 1 159 18 18 LEU HG H 2.076 0.030 1 160 18 18 LEU C C 177.035 0.300 1 161 18 18 LEU CA C 55.758 0.300 1 162 18 18 LEU CB C 38.972 0.300 1 163 18 18 LEU CD1 C 25.180 0.300 2 164 18 18 LEU CD2 C 21.623 0.300 2 165 18 18 LEU CG C 24.146 0.300 1 166 18 18 LEU N N 117.897 0.300 1 167 19 19 ILE H H 7.584 0.030 1 168 19 19 ILE HA H 3.934 0.030 1 169 19 19 ILE HB H 1.750 0.030 1 170 19 19 ILE HD1 H 0.509 0.030 1 171 19 19 ILE HG12 H 1.402 0.030 2 172 19 19 ILE HG13 H 0.639 0.030 2 173 19 19 ILE HG2 H 0.673 0.030 1 174 19 19 ILE C C 179.205 0.300 1 175 19 19 ILE CA C 62.391 0.300 1 176 19 19 ILE CB C 35.326 0.300 1 177 19 19 ILE CD1 C 12.123 0.300 1 178 19 19 ILE CG1 C 27.023 0.300 1 179 19 19 ILE CG2 C 14.939 0.300 1 180 19 19 ILE N N 120.973 0.300 1 181 20 20 HIS H H 8.399 0.030 1 182 20 20 HIS HA H 4.400 0.030 1 183 20 20 HIS HB2 H 3.307 0.030 2 184 20 20 HIS HB3 H 3.035 0.030 2 185 20 20 HIS HD2 H 6.947 0.030 1 186 20 20 HIS HE1 H 7.799 0.030 1 187 20 20 HIS C C 175.363 0.300 1 188 20 20 HIS CA C 56.539 0.300 1 189 20 20 HIS CB C 28.256 0.300 1 190 20 20 HIS CD2 C 116.955 0.300 1 191 20 20 HIS CE1 C 135.866 0.300 1 192 20 20 HIS N N 124.635 0.300 1 193 21 21 CYS H H 7.832 0.030 1 194 21 21 CYS HA H 3.906 0.030 1 195 21 21 CYS HB2 H 2.299 0.030 2 196 21 21 CYS HB3 H 2.174 0.030 2 197 21 21 CYS C C 171.061 0.300 1 198 21 21 CYS CA C 58.602 0.300 1 199 21 21 CYS CB C 25.358 0.300 1 200 21 21 CYS N N 114.301 0.300 1 201 22 22 LYS H H 7.840 0.030 1 202 22 22 LYS HA H 3.969 0.030 1 203 22 22 LYS HB2 H 1.843 0.030 2 204 22 22 LYS HB3 H 1.896 0.030 2 205 22 22 LYS HD2 H 1.496 0.030 2 206 22 22 LYS HD3 H 1.605 0.030 2 207 22 22 LYS HE2 H 2.906 0.030 1 208 22 22 LYS HE3 H 2.906 0.030 1 209 22 22 LYS HG2 H 1.172 0.030 2 210 22 22 LYS HG3 H 1.262 0.030 2 211 22 22 LYS C C 173.562 0.300 1 212 22 22 LYS CA C 54.777 0.300 1 213 22 22 LYS CB C 25.889 0.300 1 214 22 22 LYS CD C 26.415 0.300 1 215 22 22 LYS CE C 39.962 0.300 1 216 22 22 LYS CG C 22.619 0.300 1 217 22 22 LYS N N 112.151 0.300 1 218 23 23 VAL H H 7.604 0.030 1 219 23 23 VAL HA H 3.929 0.030 1 220 23 23 VAL HB H 1.856 0.030 1 221 23 23 VAL HG1 H 0.634 0.030 1 222 23 23 VAL HG2 H 0.603 0.030 1 223 23 23 VAL C C 172.260 0.300 1 224 23 23 VAL CA C 60.276 0.300 1 225 23 23 VAL CB C 30.031 0.300 1 226 23 23 VAL CG1 C 20.102 0.300 2 227 23 23 VAL CG2 C 20.066 0.300 2 228 23 23 VAL N N 113.023 0.300 1 229 24 24 LEU H H 6.338 0.030 1 230 24 24 LEU HA H 4.591 0.030 1 231 24 24 LEU HB2 H 1.021 0.030 2 232 24 24 LEU HB3 H 0.842 0.030 2 233 24 24 LEU HD1 H 0.256 0.030 1 234 24 24 LEU HD2 H 0.177 0.030 1 235 24 24 LEU HG H 1.031 0.030 1 236 24 24 LEU C C 171.228 0.300 1 237 24 24 LEU CA C 48.156 0.300 1 238 24 24 LEU CB C 42.489 0.300 1 239 24 24 LEU CD1 C 23.063 0.300 2 240 24 24 LEU CD2 C 20.614 0.300 2 241 24 24 LEU CG C 24.249 0.300 1 242 24 24 LEU N N 116.753 0.300 1 243 25 25 PRO HA H 4.491 0.030 1 244 25 25 PRO HB2 H 2.274 0.030 2 245 25 25 PRO HB3 H 2.036 0.030 2 246 25 25 PRO HD2 H 3.491 0.030 2 247 25 25 PRO HD3 H 3.755 0.030 2 248 25 25 PRO HG2 H 1.974 0.030 2 249 25 25 PRO HG3 H 2.118 0.030 2 250 25 25 PRO C C 174.326 0.300 1 251 25 25 PRO CA C 59.524 0.300 1 252 25 25 PRO CB C 30.400 0.300 1 253 25 25 PRO CD C 48.014 0.300 1 254 25 25 PRO CG C 24.799 0.300 1 255 26 26 THR H H 8.208 0.030 1 256 26 26 THR HA H 3.770 0.030 1 257 26 26 THR HB H 4.099 0.030 1 258 26 26 THR HG2 H 1.187 0.030 1 259 26 26 THR C C 172.248 0.300 1 260 26 26 THR CA C 62.015 0.300 1 261 26 26 THR CB C 66.710 0.300 1 262 26 26 THR CG2 C 19.806 0.300 1 263 26 26 THR N N 110.075 0.300 1 264 27 27 ASN HA H 4.745 0.030 1 265 27 27 ASN HB2 H 2.817 0.030 2 266 27 27 ASN HB3 H 2.979 0.030 2 267 27 27 ASN HD21 H 7.562 0.030 2 268 27 27 ASN HD22 H 6.734 0.030 2 269 27 27 ASN C C 173.150 0.300 1 270 27 27 ASN CA C 49.771 0.300 1 271 27 27 ASN CB C 35.301 0.300 1 272 27 27 ASN ND2 N 110.986 0.300 1 273 28 28 HIS H H 7.300 0.030 1 274 28 28 HIS HA H 3.830 0.030 1 275 28 28 HIS HB2 H 2.440 0.030 2 276 28 28 HIS HB3 H 3.247 0.030 2 277 28 28 HIS HD2 H 6.995 0.030 1 278 28 28 HIS HE1 H 7.455 0.030 1 279 28 28 HIS C C 172.814 0.300 1 280 28 28 HIS CA C 56.857 0.300 1 281 28 28 HIS CB C 29.541 0.300 1 282 28 28 HIS CD2 C 116.247 0.300 1 283 28 28 HIS CE1 C 135.368 0.300 1 284 28 28 HIS N N 118.224 0.300 1 285 29 29 ARG H H 7.474 0.030 1 286 29 29 ARG HA H 1.455 0.030 1 287 29 29 ARG HB2 H 0.418 0.030 2 288 29 29 ARG HB3 H 0.507 0.030 2 289 29 29 ARG HD2 H 2.584 0.030 1 290 29 29 ARG HD3 H 2.584 0.030 1 291 29 29 ARG HG2 H 0.569 0.030 1 292 29 29 ARG HG3 H 0.569 0.030 1 293 29 29 ARG C C 175.706 0.300 1 294 29 29 ARG CA C 55.693 0.300 1 295 29 29 ARG CB C 25.758 0.300 1 296 29 29 ARG CD C 40.385 0.300 1 297 29 29 ARG CG C 24.237 0.300 1 298 29 29 ARG N N 127.834 0.300 1 299 30 30 VAL H H 10.080 0.030 1 300 30 30 VAL HA H 3.916 0.030 1 301 30 30 VAL HB H 2.323 0.030 1 302 30 30 VAL HG1 H 0.873 0.030 1 303 30 30 VAL HG2 H 0.919 0.030 1 304 30 30 VAL C C 172.558 0.300 1 305 30 30 VAL CA C 62.673 0.300 1 306 30 30 VAL CB C 29.260 0.300 1 307 30 30 VAL CG1 C 19.299 0.300 2 308 30 30 VAL CG2 C 17.948 0.300 2 309 30 30 VAL N N 118.430 0.300 1 310 31 31 THR H H 8.304 0.030 1 311 31 31 THR HA H 4.271 0.030 1 312 31 31 THR HB H 4.370 0.030 1 313 31 31 THR HG2 H 1.050 0.030 1 314 31 31 THR C C 173.478 0.300 1 315 31 31 THR CA C 59.711 0.300 1 316 31 31 THR CB C 68.561 0.300 1 317 31 31 THR CG2 C 19.919 0.300 1 318 31 31 THR N N 107.592 0.300 1 319 32 32 TRP H H 7.530 0.030 1 320 32 32 TRP HA H 4.823 0.030 1 321 32 32 TRP HB2 H 3.174 0.030 2 322 32 32 TRP HB3 H 3.415 0.030 2 323 32 32 TRP HD1 H 6.801 0.030 1 324 32 32 TRP HE1 H 9.275 0.030 1 325 32 32 TRP HE3 H 7.389 0.030 1 326 32 32 TRP HH2 H 7.071 0.030 1 327 32 32 TRP HZ2 H 7.332 0.030 1 328 32 32 TRP HZ3 H 6.980 0.030 1 329 32 32 TRP C C 176.156 0.300 1 330 32 32 TRP CA C 52.862 0.300 1 331 32 32 TRP CB C 27.665 0.300 1 332 32 32 TRP CD1 C 122.666 0.300 1 333 32 32 TRP CE3 C 118.447 0.300 1 334 32 32 TRP CH2 C 122.620 0.300 1 335 32 32 TRP CZ2 C 112.041 0.300 1 336 32 32 TRP CZ3 C 119.734 0.300 1 337 32 32 TRP N N 123.794 0.300 1 338 32 32 TRP NE1 N 126.395 0.300 1 339 33 33 ASP HA H 4.369 0.030 1 340 33 33 ASP HB2 H 2.659 0.030 1 341 33 33 ASP HB3 H 2.659 0.030 1 342 33 33 ASP C C 174.813 0.300 1 343 33 33 ASP CA C 55.105 0.300 1 344 33 33 ASP CB C 37.930 0.300 1 345 34 34 SER H H 7.726 0.030 1 346 34 34 SER HA H 4.382 0.030 1 347 34 34 SER HB2 H 3.809 0.030 2 348 34 34 SER HB3 H 4.157 0.030 2 349 34 34 SER C C 172.631 0.300 1 350 34 34 SER CA C 55.221 0.300 1 351 34 34 SER CB C 61.314 0.300 1 352 34 34 SER N N 108.988 0.300 1 353 35 35 ALA H H 7.639 0.030 1 354 35 35 ALA HA H 4.282 0.030 1 355 35 35 ALA HB H 1.673 0.030 1 356 35 35 ALA C C 174.292 0.300 1 357 35 35 ALA CA C 51.000 0.300 1 358 35 35 ALA CB C 18.748 0.300 1 359 35 35 ALA N N 125.556 0.300 1 360 36 36 GLN H H 8.829 0.030 1 361 36 36 GLN HA H 4.602 0.030 1 362 36 36 GLN HB2 H 1.480 0.030 2 363 36 36 GLN HB3 H 2.043 0.030 2 364 36 36 GLN HE21 H 6.775 0.030 2 365 36 36 GLN HE22 H 7.526 0.030 2 366 36 36 GLN HG2 H 2.265 0.030 2 367 36 36 GLN HG3 H 2.327 0.030 2 368 36 36 GLN C C 174.210 0.300 1 369 36 36 GLN CA C 51.181 0.300 1 370 36 36 GLN CB C 30.748 0.300 1 371 36 36 GLN CG C 31.433 0.300 1 372 36 36 GLN N N 118.763 0.300 1 373 36 36 GLN NE2 N 112.755 0.300 1 374 37 37 VAL H H 8.051 0.030 1 375 37 37 VAL HA H 1.890 0.030 1 376 37 37 VAL HB H 0.559 0.030 1 377 37 37 VAL HG1 H 0.533 0.030 1 378 37 37 VAL HG2 H 0.385 0.030 1 379 37 37 VAL C C 173.806 0.300 1 380 37 37 VAL CA C 62.362 0.300 1 381 37 37 VAL CB C 27.858 0.300 1 382 37 37 VAL CG1 C 20.222 0.300 2 383 37 37 VAL CG2 C 16.164 0.300 2 384 37 37 VAL N N 122.474 0.300 1 385 38 38 PHE H H 7.006 0.030 1 386 38 38 PHE HA H 3.728 0.030 1 387 38 38 PHE HB2 H 2.664 0.030 2 388 38 38 PHE HB3 H 2.901 0.030 2 389 38 38 PHE HD1 H 6.915 0.030 1 390 38 38 PHE HD2 H 6.915 0.030 1 391 38 38 PHE HE1 H 7.125 0.030 1 392 38 38 PHE HE2 H 7.125 0.030 1 393 38 38 PHE HZ H 7.086 0.030 1 394 38 38 PHE C C 174.316 0.300 1 395 38 38 PHE CA C 57.424 0.300 1 396 38 38 PHE CB C 36.209 0.300 1 397 38 38 PHE CD1 C 129.129 0.300 1 398 38 38 PHE CD2 C 129.129 0.300 1 399 38 38 PHE CE1 C 129.244 0.300 1 400 38 38 PHE CE2 C 129.244 0.300 1 401 38 38 PHE CZ C 127.686 0.300 1 402 38 38 PHE N N 117.891 0.300 1 403 39 39 ASP H H 7.736 0.030 1 404 39 39 ASP HA H 4.176 0.030 1 405 39 39 ASP HB2 H 2.240 0.030 2 406 39 39 ASP HB3 H 2.773 0.030 2 407 39 39 ASP C C 177.004 0.300 1 408 39 39 ASP CA C 55.108 0.300 1 409 39 39 ASP CB C 38.495 0.300 1 410 39 39 ASP N N 116.862 0.300 1 411 40 40 LEU H H 6.861 0.030 1 412 40 40 LEU HA H 3.943 0.030 1 413 40 40 LEU HB2 H 2.022 0.030 2 414 40 40 LEU HB3 H 1.319 0.030 2 415 40 40 LEU HD1 H 0.781 0.030 1 416 40 40 LEU HD2 H 1.265 0.030 1 417 40 40 LEU HG H 1.595 0.030 1 418 40 40 LEU C C 175.175 0.300 1 419 40 40 LEU CA C 54.874 0.300 1 420 40 40 LEU CB C 39.034 0.300 1 421 40 40 LEU CD1 C 20.215 0.300 2 422 40 40 LEU CD2 C 24.800 0.300 2 423 40 40 LEU CG C 25.163 0.300 1 424 40 40 LEU N N 120.367 0.300 1 425 41 41 ALA H H 7.276 0.030 1 426 41 41 ALA HA H 3.031 0.030 1 427 41 41 ALA HB H 0.181 0.030 1 428 41 41 ALA C C 177.051 0.300 1 429 41 41 ALA CA C 53.705 0.300 1 430 41 41 ALA CB C 14.235 0.300 1 431 41 41 ALA N N 121.372 0.300 1 432 42 42 GLN H H 7.950 0.030 1 433 42 42 GLN HA H 3.540 0.030 1 434 42 42 GLN HB2 H 1.770 0.030 1 435 42 42 GLN HB3 H 1.770 0.030 1 436 42 42 GLN HE21 H 6.917 0.030 2 437 42 42 GLN HE22 H 6.644 0.030 2 438 42 42 GLN HG2 H 2.063 0.030 2 439 42 42 GLN HG3 H 1.959 0.030 2 440 42 42 GLN C C 175.965 0.300 1 441 42 42 GLN CA C 56.230 0.300 1 442 42 42 GLN CB C 25.908 0.300 1 443 42 42 GLN CG C 30.775 0.300 1 444 42 42 GLN N N 113.804 0.300 1 445 42 42 GLN NE2 N 111.705 0.300 1 446 43 43 THR H H 7.024 0.030 1 447 43 43 THR HA H 3.913 0.030 1 448 43 43 THR HB H 4.170 0.030 1 449 43 43 THR HG2 H 1.021 0.030 1 450 43 43 THR C C 172.872 0.300 1 451 43 43 THR CA C 63.289 0.300 1 452 43 43 THR CB C 66.901 0.300 1 453 43 43 THR CG2 C 19.508 0.300 1 454 43 43 THR N N 112.969 0.300 1 455 44 44 LEU H H 7.206 0.030 1 456 44 44 LEU HA H 4.481 0.030 1 457 44 44 LEU HB2 H 1.390 0.030 2 458 44 44 LEU HB3 H 1.615 0.030 2 459 44 44 LEU HD1 H 0.644 0.030 1 460 44 44 LEU HD2 H 0.535 0.030 1 461 44 44 LEU HG H 1.751 0.030 1 462 44 44 LEU C C 175.768 0.300 1 463 44 44 LEU CA C 52.132 0.300 1 464 44 44 LEU CB C 41.557 0.300 1 465 44 44 LEU CD1 C 22.624 0.300 2 466 44 44 LEU CD2 C 19.228 0.300 2 467 44 44 LEU CG C 23.640 0.300 1 468 44 44 LEU N N 117.098 0.300 1 469 45 45 ARG H H 7.154 0.030 1 470 45 45 ARG HA H 3.509 0.030 1 471 45 45 ARG HB2 H 1.638 0.030 2 472 45 45 ARG HB3 H 1.809 0.030 2 473 45 45 ARG HD2 H 2.648 0.030 2 474 45 45 ARG HD3 H 2.871 0.030 2 475 45 45 ARG HE H 6.752 0.030 1 476 45 45 ARG HG2 H 1.494 0.030 2 477 45 45 ARG HG3 H 1.629 0.030 2 478 45 45 ARG C C 171.164 0.300 1 479 45 45 ARG CA C 58.521 0.300 1 480 45 45 ARG CB C 29.681 0.300 1 481 45 45 ARG CD C 41.875 0.300 1 482 45 45 ARG CG C 24.751 0.300 1 483 45 45 ARG N N 120.967 0.300 1 484 45 45 ARG NE N 83.210 0.300 1 485 46 46 ASP H H 7.960 0.030 1 486 46 46 ASP HA H 4.466 0.030 1 487 46 46 ASP HB2 H 2.656 0.030 2 488 46 46 ASP HB3 H 3.451 0.030 2 489 46 46 ASP C C 175.292 0.300 1 490 46 46 ASP CA C 51.146 0.300 1 491 46 46 ASP CB C 39.735 0.300 1 492 46 46 ASP N N 110.166 0.300 1 493 47 47 GLY H H 7.639 0.030 1 494 47 47 GLY HA2 H 3.342 0.030 2 495 47 47 GLY HA3 H 3.943 0.030 2 496 47 47 GLY C C 171.707 0.300 1 497 47 47 GLY CA C 45.259 0.300 1 498 47 47 GLY N N 103.530 0.300 1 499 48 48 VAL H H 8.231 0.030 1 500 48 48 VAL HA H 3.110 0.030 1 501 48 48 VAL HB H 2.010 0.030 1 502 48 48 VAL HG1 H 0.781 0.030 1 503 48 48 VAL HG2 H 0.828 0.030 1 504 48 48 VAL C C 175.703 0.300 1 505 48 48 VAL CA C 66.056 0.300 1 506 48 48 VAL CB C 29.204 0.300 1 507 48 48 VAL CG1 C 18.780 0.300 2 508 48 48 VAL CG2 C 21.508 0.300 2 509 48 48 VAL N N 121.475 0.300 1 510 49 49 LEU H H 8.060 0.030 1 511 49 49 LEU HA H 3.920 0.030 1 512 49 49 LEU HB2 H 0.984 0.030 2 513 49 49 LEU HB3 H 1.528 0.030 2 514 49 49 LEU HD1 H 0.728 0.030 1 515 49 49 LEU HD2 H 0.692 0.030 1 516 49 49 LEU HG H 1.754 0.030 1 517 49 49 LEU C C 177.013 0.300 1 518 49 49 LEU CA C 55.718 0.300 1 519 49 49 LEU CB C 38.326 0.300 1 520 49 49 LEU CD1 C 20.513 0.300 2 521 49 49 LEU CD2 C 23.811 0.300 2 522 49 49 LEU CG C 25.007 0.300 1 523 49 49 LEU N N 116.898 0.300 1 524 50 50 LEU H H 8.118 0.030 1 525 50 50 LEU HA H 3.621 0.030 1 526 50 50 LEU HB2 H 1.016 0.030 2 527 50 50 LEU HB3 H 0.155 0.030 2 528 50 50 LEU HD1 H 0.329 0.030 1 529 50 50 LEU HD2 H 0.350 0.030 1 530 50 50 LEU HG H 1.571 0.030 1 531 50 50 LEU C C 175.717 0.300 1 532 50 50 LEU CA C 55.127 0.300 1 533 50 50 LEU CB C 36.559 0.300 1 534 50 50 LEU CD1 C 23.814 0.300 2 535 50 50 LEU CD2 C 20.701 0.300 2 536 50 50 LEU CG C 23.543 0.300 1 537 50 50 LEU N N 117.025 0.300 1 538 51 51 CYS H H 7.220 0.030 1 539 51 51 CYS HA H 4.063 0.030 1 540 51 51 CYS HB2 H 3.084 0.030 2 541 51 51 CYS HB3 H 2.168 0.030 2 542 51 51 CYS C C 174.132 0.300 1 543 51 51 CYS CA C 62.987 0.300 1 544 51 51 CYS CB C 25.216 0.300 1 545 51 51 CYS N N 115.572 0.300 1 546 52 52 GLN H H 7.888 0.030 1 547 52 52 GLN HA H 3.782 0.030 1 548 52 52 GLN HB2 H 1.860 0.030 2 549 52 52 GLN HB3 H 2.110 0.030 2 550 52 52 GLN HE21 H 6.547 0.030 2 551 52 52 GLN HE22 H 6.966 0.030 2 552 52 52 GLN HG2 H 2.320 0.030 2 553 52 52 GLN HG3 H 2.141 0.030 2 554 52 52 GLN C C 176.076 0.300 1 555 52 52 GLN CA C 56.645 0.300 1 556 52 52 GLN CB C 25.619 0.300 1 557 52 52 GLN CG C 31.716 0.300 1 558 52 52 GLN N N 116.753 0.300 1 559 52 52 GLN NE2 N 110.012 0.300 1 560 53 53 LEU H H 8.561 0.030 1 561 53 53 LEU HA H 3.552 0.030 1 562 53 53 LEU HB2 H 2.517 0.030 2 563 53 53 LEU HB3 H 1.255 0.030 2 564 53 53 LEU HD1 H 0.485 0.030 1 565 53 53 LEU HD2 H 0.911 0.030 1 566 53 53 LEU HG H 1.255 0.030 1 567 53 53 LEU C C 175.450 0.300 1 568 53 53 LEU CA C 55.891 0.300 1 569 53 53 LEU CB C 39.160 0.300 1 570 53 53 LEU CD1 C 20.947 0.300 2 571 53 53 LEU CD2 C 24.620 0.300 2 572 53 53 LEU CG C 25.480 0.300 1 573 53 53 LEU N N 119.925 0.300 1 574 54 54 LEU H H 7.087 0.030 1 575 54 54 LEU HA H 3.845 0.030 1 576 54 54 LEU HB2 H 1.505 0.030 2 577 54 54 LEU HB3 H 1.916 0.030 2 578 54 54 LEU HD1 H 0.763 0.030 1 579 54 54 LEU HD2 H 0.197 0.030 1 580 54 54 LEU HG H 2.141 0.030 1 581 54 54 LEU C C 176.524 0.300 1 582 54 54 LEU CA C 56.103 0.300 1 583 54 54 LEU CB C 37.221 0.300 1 584 54 54 LEU CD1 C 26.055 0.300 2 585 54 54 LEU CD2 C 19.434 0.300 2 586 54 54 LEU CG C 23.419 0.300 1 587 54 54 LEU N N 113.229 0.300 1 588 55 55 ASN H H 6.869 0.030 1 589 55 55 ASN HA H 5.075 0.030 1 590 55 55 ASN HB2 H 2.848 0.030 2 591 55 55 ASN HB3 H 2.631 0.030 2 592 55 55 ASN HD21 H 7.356 0.030 2 593 55 55 ASN HD22 H 7.270 0.030 2 594 55 55 ASN C C 175.008 0.300 1 595 55 55 ASN CA C 51.585 0.300 1 596 55 55 ASN CB C 35.516 0.300 1 597 55 55 ASN N N 115.136 0.300 1 598 55 55 ASN ND2 N 107.279 0.300 1 599 56 56 ASN H H 8.024 0.030 1 600 56 56 ASN HA H 4.314 0.030 1 601 56 56 ASN HB2 H 2.702 0.030 2 602 56 56 ASN HB3 H 2.825 0.030 2 603 56 56 ASN HD21 H 6.994 0.030 2 604 56 56 ASN HD22 H 6.526 0.030 2 605 56 56 ASN C C 175.118 0.300 1 606 56 56 ASN CA C 52.159 0.300 1 607 56 56 ASN CB C 34.396 0.300 1 608 56 56 ASN N N 120.500 0.300 1 609 56 56 ASN ND2 N 106.807 0.300 1 610 57 57 LEU H H 7.747 0.030 1 611 57 57 LEU HA H 4.175 0.030 1 612 57 57 LEU HB2 H 1.266 0.030 2 613 57 57 LEU HB3 H 2.230 0.030 2 614 57 57 LEU HD1 H 0.785 0.030 1 615 57 57 LEU HD2 H 0.904 0.030 1 616 57 57 LEU HG H 1.891 0.030 1 617 57 57 LEU C C 174.463 0.300 1 618 57 57 LEU CA C 54.742 0.300 1 619 57 57 LEU CB C 40.711 0.300 1 620 57 57 LEU CD1 C 23.555 0.300 2 621 57 57 LEU CD2 C 20.221 0.300 2 622 57 57 LEU CG C 24.203 0.300 1 623 57 57 LEU N N 120.101 0.300 1 624 58 58 ARG H H 8.505 0.030 1 625 58 58 ARG HA H 4.128 0.030 1 626 58 58 ARG HB2 H 1.466 0.030 1 627 58 58 ARG HB3 H 1.466 0.030 1 628 58 58 ARG HD2 H 2.787 0.030 1 629 58 58 ARG HD3 H 2.787 0.030 1 630 58 58 ARG HG2 H 1.332 0.030 1 631 58 58 ARG HG3 H 1.332 0.030 1 632 58 58 ARG C C 171.104 0.300 1 633 58 58 ARG CA C 53.719 0.300 1 634 58 58 ARG CB C 28.818 0.300 1 635 58 58 ARG CD C 40.696 0.300 1 636 58 58 ARG CG C 24.459 0.300 1 637 58 58 ARG N N 119.695 0.300 1 638 59 59 ALA H H 8.467 0.030 1 639 59 59 ALA HA H 4.156 0.030 1 640 59 59 ALA HB H 1.006 0.030 1 641 59 59 ALA C C 175.705 0.300 1 642 59 59 ALA CA C 51.255 0.300 1 643 59 59 ALA CB C 15.944 0.300 1 644 59 59 ALA N N 131.053 0.300 1 645 60 60 HIS H H 8.517 0.030 1 646 60 60 HIS HA H 4.066 0.030 1 647 60 60 HIS HB2 H 3.292 0.030 2 648 60 60 HIS HB3 H 3.159 0.030 2 649 60 60 HIS HD2 H 6.841 0.030 1 650 60 60 HIS HE1 H 7.731 0.030 1 651 60 60 HIS C C 173.249 0.300 1 652 60 60 HIS CA C 54.749 0.300 1 653 60 60 HIS CB C 24.875 0.300 1 654 60 60 HIS CD2 C 118.023 0.300 1 655 60 60 HIS CE1 C 136.191 0.300 1 656 60 60 HIS N N 112.315 0.300 1 657 61 61 SER H H 8.179 0.030 1 658 61 61 SER HA H 4.120 0.030 1 659 61 61 SER HB2 H 3.630 0.030 2 660 61 61 SER HB3 H 3.957 0.030 2 661 61 61 SER C C 171.798 0.300 1 662 61 61 SER CA C 61.272 0.300 1 663 61 61 SER CB C 61.590 0.300 1 664 61 61 SER N N 118.182 0.300 1 665 62 62 ILE H H 9.211 0.030 1 666 62 62 ILE HA H 4.083 0.030 1 667 62 62 ILE HB H 1.458 0.030 1 668 62 62 ILE HD1 H 0.898 0.030 1 669 62 62 ILE HG12 H 1.329 0.030 2 670 62 62 ILE HG13 H 0.895 0.030 2 671 62 62 ILE HG2 H 0.621 0.030 1 672 62 62 ILE C C 173.215 0.300 1 673 62 62 ILE CA C 57.051 0.300 1 674 62 62 ILE CB C 39.086 0.300 1 675 62 62 ILE CD1 C 11.947 0.300 1 676 62 62 ILE CG1 C 24.883 0.300 1 677 62 62 ILE CG2 C 15.596 0.300 1 678 62 62 ILE N N 120.839 0.300 1 679 63 63 ASN H H 8.860 0.030 1 680 63 63 ASN HA H 4.456 0.030 1 681 63 63 ASN HB2 H 2.687 0.030 2 682 63 63 ASN HB3 H 2.805 0.030 2 683 63 63 ASN HD21 H 7.702 0.030 2 684 63 63 ASN HD22 H 6.888 0.030 2 685 63 63 ASN C C 174.016 0.300 1 686 63 63 ASN CA C 50.545 0.300 1 687 63 63 ASN CB C 35.821 0.300 1 688 63 63 ASN N N 126.960 0.300 1 689 63 63 ASN ND2 N 112.262 0.300 1 690 64 64 LEU H H 8.561 0.030 1 691 64 64 LEU HA H 3.819 0.030 1 692 64 64 LEU HB2 H 1.482 0.030 2 693 64 64 LEU HB3 H 1.701 0.030 2 694 64 64 LEU HD1 H 0.886 0.030 1 695 64 64 LEU HD2 H 0.724 0.030 1 696 64 64 LEU HG H 1.701 0.030 1 697 64 64 LEU C C 176.369 0.300 1 698 64 64 LEU CA C 55.340 0.300 1 699 64 64 LEU CB C 38.899 0.300 1 700 64 64 LEU CD1 C 22.871 0.300 2 701 64 64 LEU CD2 C 20.432 0.300 2 702 64 64 LEU CG C 24.770 0.300 1 703 64 64 LEU N N 126.706 0.300 1 704 65 65 LYS H H 8.045 0.030 1 705 65 65 LYS HA H 4.082 0.030 1 706 65 65 LYS HB2 H 1.746 0.030 1 707 65 65 LYS HB3 H 1.746 0.030 1 708 65 65 LYS HD2 H 1.605 0.030 1 709 65 65 LYS HD3 H 1.605 0.030 1 710 65 65 LYS HE2 H 2.906 0.030 1 711 65 65 LYS HE3 H 2.906 0.030 1 712 65 65 LYS HG2 H 1.351 0.030 2 713 65 65 LYS HG3 H 1.424 0.030 2 714 65 65 LYS C C 175.539 0.300 1 715 65 65 LYS CA C 55.588 0.300 1 716 65 65 LYS CB C 29.627 0.300 1 717 65 65 LYS CD C 26.674 0.300 1 718 65 65 LYS CE C 39.719 0.300 1 719 65 65 LYS CG C 22.947 0.300 1 720 65 65 LYS N N 114.942 0.300 1 721 66 66 GLU H H 7.785 0.030 1 722 66 66 GLU HA H 4.210 0.030 1 723 66 66 GLU HB2 H 1.907 0.030 2 724 66 66 GLU HB3 H 2.197 0.030 2 725 66 66 GLU HG2 H 2.182 0.030 2 726 66 66 GLU HG3 H 2.090 0.030 2 727 66 66 GLU C C 173.552 0.300 1 728 66 66 GLU CA C 53.649 0.300 1 729 66 66 GLU CB C 28.121 0.300 1 730 66 66 GLU CG C 34.170 0.300 1 731 66 66 GLU N N 115.796 0.300 1 732 67 67 ILE H H 7.047 0.030 1 733 67 67 ILE HA H 4.244 0.030 1 734 67 67 ILE HB H 1.891 0.030 1 735 67 67 ILE HD1 H 0.659 0.030 1 736 67 67 ILE HG12 H 0.905 0.030 2 737 67 67 ILE HG13 H 1.308 0.030 2 738 67 67 ILE HG2 H 0.768 0.030 1 739 67 67 ILE C C 171.714 0.300 1 740 67 67 ILE CA C 57.757 0.300 1 741 67 67 ILE CB C 37.139 0.300 1 742 67 67 ILE CD1 C 12.146 0.300 1 743 67 67 ILE CG1 C 24.385 0.300 1 744 67 67 ILE CG2 C 16.014 0.300 1 745 67 67 ILE N N 114.555 0.300 1 746 68 68 ASN H H 8.845 0.030 1 747 68 68 ASN HA H 4.804 0.030 1 748 68 68 ASN HB2 H 2.558 0.030 2 749 68 68 ASN HB3 H 2.447 0.030 2 750 68 68 ASN HD21 H 7.448 0.030 2 751 68 68 ASN HD22 H 6.992 0.030 2 752 68 68 ASN CA C 50.396 0.300 1 753 68 68 ASN CB C 37.963 0.300 1 754 68 68 ASN N N 121.226 0.300 1 755 68 68 ASN ND2 N 115.903 0.300 1 756 69 69 LEU H H 8.568 0.030 1 757 69 69 LEU HA H 4.039 0.030 1 758 69 69 LEU HB2 H 1.594 0.030 2 759 69 69 LEU HB3 H 1.464 0.030 2 760 69 69 LEU HD1 H 0.821 0.030 1 761 69 69 LEU HD2 H 0.723 0.030 1 762 69 69 LEU HG H 1.589 0.030 1 763 69 69 LEU CA C 54.051 0.300 1 764 69 69 LEU CB C 40.004 0.300 1 765 69 69 LEU CD1 C 23.129 0.300 2 766 69 69 LEU CD2 C 21.033 0.300 2 767 69 69 LEU CG C 24.909 0.300 1 768 69 69 LEU N N 123.436 0.300 1 769 70 70 ARG HA H 4.610 0.030 1 770 70 70 ARG HB2 H 1.779 0.030 2 771 70 70 ARG HB3 H 1.527 0.030 2 772 70 70 ARG HD2 H 3.134 0.030 2 773 70 70 ARG HD3 H 3.100 0.030 2 774 70 70 ARG HG2 H 1.475 0.030 1 775 70 70 ARG HG3 H 1.475 0.030 1 776 70 70 ARG CA C 51.366 0.300 1 777 70 70 ARG CB C 28.269 0.300 1 778 70 70 ARG CD C 41.314 0.300 1 779 70 70 ARG CG C 24.873 0.300 1 780 71 71 PRO HA H 4.196 0.030 1 781 71 71 PRO HB2 H 2.157 0.030 2 782 71 71 PRO HB3 H 1.750 0.030 2 783 71 71 PRO HD2 H 3.537 0.030 2 784 71 71 PRO HD3 H 3.442 0.030 2 785 71 71 PRO HG2 H 1.742 0.030 2 786 71 71 PRO HG3 H 2.033 0.030 2 787 71 71 PRO C C 174.203 0.300 1 788 71 71 PRO CA C 61.792 0.300 1 789 71 71 PRO CB C 30.903 0.300 1 790 71 71 PRO CD C 46.903 0.300 1 791 71 71 PRO CG C 25.946 0.300 1 792 72 72 GLN H H 8.672 0.030 1 793 72 72 GLN HA H 3.738 0.030 1 794 72 72 GLN HB2 H 2.029 0.030 1 795 72 72 GLN HB3 H 2.029 0.030 1 796 72 72 GLN HE21 H 7.446 0.030 2 797 72 72 GLN HE22 H 6.778 0.030 2 798 72 72 GLN HG2 H 2.204 0.030 2 799 72 72 GLN HG3 H 2.074 0.030 2 800 72 72 GLN C C 173.389 0.300 1 801 72 72 GLN CA C 54.177 0.300 1 802 72 72 GLN CB C 24.940 0.300 1 803 72 72 GLN CG C 31.871 0.300 1 804 72 72 GLN N N 119.278 0.300 1 805 72 72 GLN NE2 N 111.670 0.300 1 806 73 73 MET H H 8.254 0.030 1 807 73 73 MET HA H 4.295 0.030 1 808 73 73 MET HB2 H 1.955 0.030 2 809 73 73 MET HB3 H 2.358 0.030 2 810 73 73 MET HE H 1.890 0.030 1 811 73 73 MET HG2 H 2.472 0.030 2 812 73 73 MET HG3 H 2.656 0.030 2 813 73 73 MET C C 173.206 0.300 1 814 73 73 MET CA C 52.838 0.300 1 815 73 73 MET CB C 27.797 0.300 1 816 73 73 MET CE C 13.901 0.300 1 817 73 73 MET CG C 30.859 0.300 1 818 73 73 MET N N 112.406 0.300 1 819 74 74 SER H H 7.629 0.030 1 820 74 74 SER HA H 4.439 0.030 1 821 74 74 SER HB2 H 3.943 0.030 2 822 74 74 SER HB3 H 4.106 0.030 2 823 74 74 SER C C 174.044 0.300 1 824 74 74 SER CA C 55.268 0.300 1 825 74 74 SER CB C 61.422 0.300 1 826 74 74 SER N N 113.514 0.300 1 827 75 75 GLN HA H 3.226 0.030 1 828 75 75 GLN HB2 H 2.213 0.030 2 829 75 75 GLN HB3 H 1.921 0.030 2 830 75 75 GLN HE21 H 7.092 0.030 2 831 75 75 GLN HE22 H 7.403 0.030 2 832 75 75 GLN HG2 H 1.776 0.030 2 833 75 75 GLN HG3 H 1.845 0.030 2 834 75 75 GLN C C 174.241 0.300 1 835 75 75 GLN CA C 58.172 0.300 1 836 75 75 GLN CB C 26.566 0.300 1 837 75 75 GLN CG C 31.619 0.300 1 838 75 75 GLN NE2 N 112.054 0.300 1 839 76 76 PHE H H 8.453 0.030 1 840 76 76 PHE HA H 4.010 0.030 1 841 76 76 PHE HB2 H 2.795 0.030 2 842 76 76 PHE HB3 H 3.151 0.030 2 843 76 76 PHE HD1 H 7.119 0.030 1 844 76 76 PHE HD2 H 7.119 0.030 1 845 76 76 PHE HE1 H 7.350 0.030 1 846 76 76 PHE HE2 H 7.350 0.030 1 847 76 76 PHE HZ H 7.228 0.030 1 848 76 76 PHE C C 175.897 0.300 1 849 76 76 PHE CA C 59.039 0.300 1 850 76 76 PHE CB C 36.892 0.300 1 851 76 76 PHE CD1 C 129.359 0.300 1 852 76 76 PHE CD2 C 129.359 0.300 1 853 76 76 PHE CE1 C 129.222 0.300 1 854 76 76 PHE CE2 C 129.222 0.300 1 855 76 76 PHE CZ C 127.800 0.300 1 856 76 76 PHE N N 116.539 0.300 1 857 77 77 LEU H H 7.175 0.030 1 858 77 77 LEU HA H 3.871 0.030 1 859 77 77 LEU HB2 H 1.180 0.030 2 860 77 77 LEU HB3 H 1.892 0.030 2 861 77 77 LEU HD1 H 0.972 0.030 1 862 77 77 LEU HD2 H 0.779 0.030 1 863 77 77 LEU HG H 1.758 0.030 1 864 77 77 LEU C C 177.331 0.300 1 865 77 77 LEU CA C 54.662 0.300 1 866 77 77 LEU CB C 40.658 0.300 1 867 77 77 LEU CD1 C 23.670 0.300 2 868 77 77 LEU CD2 C 19.843 0.300 2 869 77 77 LEU CG C 24.512 0.300 1 870 77 77 LEU N N 116.250 0.300 1 871 78 78 CYS H H 8.272 0.030 1 872 78 78 CYS HA H 4.165 0.030 1 873 78 78 CYS HB2 H 2.554 0.030 1 874 78 78 CYS HB3 H 2.554 0.030 1 875 78 78 CYS C C 175.018 0.300 1 876 78 78 CYS CA C 60.764 0.300 1 877 78 78 CYS CB C 26.738 0.300 1 878 78 78 CYS N N 117.786 0.300 1 879 79 79 LEU H H 8.227 0.030 1 880 79 79 LEU HA H 3.598 0.030 1 881 79 79 LEU HB2 H 1.574 0.030 2 882 79 79 LEU HB3 H 0.986 0.030 2 883 79 79 LEU HD1 H 0.464 0.030 1 884 79 79 LEU HD2 H 0.036 0.030 1 885 79 79 LEU HG H 1.133 0.030 1 886 79 79 LEU C C 176.637 0.300 1 887 79 79 LEU CA C 55.623 0.300 1 888 79 79 LEU CB C 38.161 0.300 1 889 79 79 LEU CD1 C 23.847 0.300 2 890 79 79 LEU CD2 C 19.782 0.300 2 891 79 79 LEU CG C 24.372 0.300 1 892 79 79 LEU N N 117.903 0.300 1 893 80 80 LYS H H 7.014 0.030 1 894 80 80 LYS HA H 3.860 0.030 1 895 80 80 LYS HB2 H 1.565 0.030 2 896 80 80 LYS HB3 H 1.717 0.030 2 897 80 80 LYS HD2 H 1.451 0.030 2 898 80 80 LYS HD3 H 1.513 0.030 2 899 80 80 LYS HE2 H 2.840 0.030 1 900 80 80 LYS HE3 H 2.840 0.030 1 901 80 80 LYS HG2 H 1.276 0.030 1 902 80 80 LYS HG3 H 1.276 0.030 1 903 80 80 LYS C C 177.039 0.300 1 904 80 80 LYS CA C 57.436 0.300 1 905 80 80 LYS CB C 29.230 0.300 1 906 80 80 LYS CD C 26.819 0.300 1 907 80 80 LYS CE C 39.808 0.300 1 908 80 80 LYS CG C 22.514 0.300 1 909 80 80 LYS N N 118.133 0.300 1 910 81 81 ASN H H 7.501 0.030 1 911 81 81 ASN HA H 4.233 0.030 1 912 81 81 ASN HB2 H 2.542 0.030 2 913 81 81 ASN HB3 H 3.635 0.030 2 914 81 81 ASN HD21 H 7.408 0.030 2 915 81 81 ASN HD22 H 7.701 0.030 2 916 81 81 ASN C C 174.745 0.300 1 917 81 81 ASN CA C 53.614 0.300 1 918 81 81 ASN CB C 35.520 0.300 1 919 81 81 ASN N N 120.071 0.300 1 920 81 81 ASN ND2 N 107.419 0.300 1 921 82 82 ILE H H 8.391 0.030 1 922 82 82 ILE HA H 3.469 0.030 1 923 82 82 ILE HB H 1.706 0.030 1 924 82 82 ILE HD1 H 1.050 0.030 1 925 82 82 ILE HG12 H 1.963 0.030 2 926 82 82 ILE HG13 H 0.717 0.030 2 927 82 82 ILE HG2 H 1.118 0.030 1 928 82 82 ILE C C 175.364 0.300 1 929 82 82 ILE CA C 63.988 0.300 1 930 82 82 ILE CB C 36.946 0.300 1 931 82 82 ILE CD1 C 11.871 0.300 1 932 82 82 ILE CG1 C 27.974 0.300 1 933 82 82 ILE CG2 C 16.480 0.300 1 934 82 82 ILE N N 119.102 0.300 1 935 83 83 ARG H H 8.830 0.030 1 936 83 83 ARG HA H 3.947 0.030 1 937 83 83 ARG HB2 H 1.827 0.030 1 938 83 83 ARG HB3 H 1.827 0.030 1 939 83 83 ARG HD2 H 3.057 0.030 2 940 83 83 ARG HD3 H 3.003 0.030 2 941 83 83 ARG HG2 H 1.695 0.030 2 942 83 83 ARG C C 176.679 0.300 1 943 83 83 ARG CA C 58.196 0.300 1 944 83 83 ARG CB C 27.250 0.300 1 945 83 83 ARG CD C 41.107 0.300 1 946 83 83 ARG CG C 26.907 0.300 1 947 83 83 ARG N N 118.674 0.300 1 948 84 84 THR H H 8.214 0.030 1 949 84 84 THR HA H 4.434 0.030 1 950 84 84 THR HB H 3.815 0.030 1 951 84 84 THR HG2 H 1.187 0.030 1 952 84 84 THR C C 174.156 0.300 1 953 84 84 THR CA C 65.907 0.300 1 954 84 84 THR CB C 65.348 0.300 1 955 84 84 THR CG2 C 19.833 0.300 1 956 84 84 THR N N 119.550 0.300 1 957 85 85 PHE H H 7.779 0.030 1 958 85 85 PHE HA H 4.043 0.030 1 959 85 85 PHE HB2 H 3.444 0.030 2 960 85 85 PHE HB3 H 3.328 0.030 2 961 85 85 PHE HD1 H 6.952 0.030 1 962 85 85 PHE HD2 H 6.952 0.030 1 963 85 85 PHE HE1 H 6.970 0.030 1 964 85 85 PHE HE2 H 6.970 0.030 1 965 85 85 PHE HZ H 6.810 0.030 1 966 85 85 PHE C C 173.885 0.300 1 967 85 85 PHE CA C 59.061 0.300 1 968 85 85 PHE CB C 35.816 0.300 1 969 85 85 PHE CD1 C 131.922 0.300 1 970 85 85 PHE CD2 C 131.922 0.300 1 971 85 85 PHE CE1 C 126.829 0.300 1 972 85 85 PHE CE2 C 126.829 0.300 1 973 85 85 PHE CZ C 127.222 0.300 1 974 85 85 PHE N N 123.405 0.300 1 975 86 86 LEU H H 8.611 0.030 1 976 86 86 LEU HA H 3.494 0.030 1 977 86 86 LEU HB2 H 1.868 0.030 2 978 86 86 LEU HB3 H 1.185 0.030 2 979 86 86 LEU HD1 H 0.555 0.030 1 980 86 86 LEU HD2 H 0.035 0.030 1 981 86 86 LEU HG H 1.765 0.030 1 982 86 86 LEU C C 177.294 0.300 1 983 86 86 LEU CA C 55.989 0.300 1 984 86 86 LEU CB C 39.475 0.300 1 985 86 86 LEU CD1 C 23.439 0.300 2 986 86 86 LEU CD2 C 19.784 0.300 2 987 86 86 LEU CG C 24.646 0.300 1 988 86 86 LEU N N 121.386 0.300 1 989 87 87 THR H H 8.385 0.030 1 990 87 87 THR HA H 3.781 0.030 1 991 87 87 THR HB H 4.134 0.030 1 992 87 87 THR HG2 H 1.131 0.030 1 993 87 87 THR C C 173.918 0.300 1 994 87 87 THR CA C 64.647 0.300 1 995 87 87 THR CB C 66.546 0.300 1 996 87 87 THR CG2 C 19.352 0.300 1 997 87 87 THR N N 116.026 0.300 1 998 88 88 ALA H H 7.647 0.030 1 999 88 88 ALA HA H 4.332 0.030 1 1000 88 88 ALA HB H 1.365 0.030 1 1001 88 88 ALA C C 179.023 0.300 1 1002 88 88 ALA CA C 53.124 0.300 1 1003 88 88 ALA CB C 17.161 0.300 1 1004 88 88 ALA N N 124.351 0.300 1 1005 89 89 CYS H H 8.080 0.030 1 1006 89 89 CYS HA H 3.769 0.030 1 1007 89 89 CYS HB2 H 3.023 0.030 2 1008 89 89 CYS HB3 H 2.588 0.030 2 1009 89 89 CYS C C 174.113 0.300 1 1010 89 89 CYS CA C 63.731 0.300 1 1011 89 89 CYS CB C 24.791 0.300 1 1012 89 89 CYS N N 118.449 0.300 1 1013 90 90 CYS H H 6.870 0.030 1 1014 90 90 CYS HA H 4.645 0.030 1 1015 90 90 CYS HB2 H 2.869 0.030 1 1016 90 90 CYS HB3 H 2.869 0.030 1 1017 90 90 CYS C C 174.798 0.300 1 1018 90 90 CYS CA C 58.549 0.300 1 1019 90 90 CYS CB C 25.531 0.300 1 1020 90 90 CYS N N 115.498 0.300 1 1021 91 91 GLU H H 8.772 0.030 1 1022 91 91 GLU HA H 3.935 0.030 1 1023 91 91 GLU HB2 H 1.902 0.030 2 1024 91 91 GLU HB3 H 1.952 0.030 2 1025 91 91 GLU HG2 H 2.360 0.030 2 1026 91 91 GLU HG3 H 2.177 0.030 2 1027 91 91 GLU C C 175.756 0.300 1 1028 91 91 GLU CA C 57.209 0.300 1 1029 91 91 GLU CB C 27.892 0.300 1 1030 91 91 GLU CG C 34.159 0.300 1 1031 91 91 GLU N N 117.625 0.300 1 1032 92 92 THR H H 8.540 0.030 1 1033 92 92 THR HA H 4.206 0.030 1 1034 92 92 THR HB H 4.126 0.030 1 1035 92 92 THR HG2 H 0.606 0.030 1 1036 92 92 THR C C 172.633 0.300 1 1037 92 92 THR CA C 62.567 0.300 1 1038 92 92 THR CB C 66.368 0.300 1 1039 92 92 THR CG2 C 19.982 0.300 1 1040 92 92 THR N N 113.017 0.300 1 1041 93 93 PHE H H 7.062 0.030 1 1042 93 93 PHE HA H 4.266 0.030 1 1043 93 93 PHE HB2 H 3.210 0.030 2 1044 93 93 PHE HB3 H 3.435 0.030 2 1045 93 93 PHE HD1 H 7.255 0.030 1 1046 93 93 PHE HD2 H 7.255 0.030 1 1047 93 93 PHE HE1 H 7.036 0.030 1 1048 93 93 PHE HE2 H 7.036 0.030 1 1049 93 93 PHE HZ H 7.429 0.030 1 1050 93 93 PHE C C 173.951 0.300 1 1051 93 93 PHE CA C 57.222 0.300 1 1052 93 93 PHE CB C 36.651 0.300 1 1053 93 93 PHE CD1 C 129.407 0.300 1 1054 93 93 PHE CD2 C 129.407 0.300 1 1055 93 93 PHE CE1 C 129.498 0.300 1 1056 93 93 PHE CE2 C 129.498 0.300 1 1057 93 93 PHE CZ C 127.896 0.300 1 1058 93 93 PHE N N 115.941 0.300 1 1059 94 94 GLY H H 7.097 0.030 1 1060 94 94 GLY HA2 H 3.888 0.030 2 1061 94 94 GLY HA3 H 3.828 0.030 2 1062 94 94 GLY C C 172.296 0.300 1 1063 94 94 GLY CA C 44.424 0.300 1 1064 94 94 GLY N N 106.951 0.300 1 1065 95 95 MET H H 8.049 0.030 1 1066 95 95 MET HA H 4.148 0.030 1 1067 95 95 MET HB2 H 2.303 0.030 1 1068 95 95 MET HB3 H 2.303 0.030 1 1069 95 95 MET HE H 1.900 0.030 1 1070 95 95 MET HG2 H 1.176 0.030 2 1071 95 95 MET HG3 H 2.033 0.030 2 1072 95 95 MET C C 172.657 0.300 1 1073 95 95 MET CA C 54.283 0.300 1 1074 95 95 MET CB C 30.287 0.300 1 1075 95 95 MET CE C 15.144 0.300 1 1076 95 95 MET CG C 31.104 0.300 1 1077 95 95 MET N N 118.664 0.300 1 1078 96 96 ARG H H 8.699 0.030 1 1079 96 96 ARG HA H 4.354 0.030 1 1080 96 96 ARG HB2 H 1.479 0.030 2 1081 96 96 ARG HB3 H 1.859 0.030 2 1082 96 96 ARG HD2 H 3.056 0.030 1 1083 96 96 ARG HD3 H 3.056 0.030 1 1084 96 96 ARG HG2 H 1.582 0.030 2 1085 96 96 ARG HG3 H 1.651 0.030 2 1086 96 96 ARG C C 175.914 0.300 1 1087 96 96 ARG CA C 52.626 0.300 1 1088 96 96 ARG CB C 29.102 0.300 1 1089 96 96 ARG CD C 40.972 0.300 1 1090 96 96 ARG CG C 25.229 0.300 1 1091 96 96 ARG N N 119.700 0.300 1 1092 97 97 LYS H H 8.776 0.030 1 1093 97 97 LYS HA H 3.604 0.030 1 1094 97 97 LYS HB2 H 1.711 0.030 2 1095 97 97 LYS HB3 H 1.783 0.030 2 1096 97 97 LYS HD2 H 1.581 0.030 1 1097 97 97 LYS HD3 H 1.581 0.030 1 1098 97 97 LYS HE2 H 2.897 0.030 1 1099 97 97 LYS HE3 H 2.897 0.030 1 1100 97 97 LYS HG2 H 1.336 0.030 2 1101 97 97 LYS HG3 H 1.442 0.030 2 1102 97 97 LYS C C 176.739 0.300 1 1103 97 97 LYS CA C 57.802 0.300 1 1104 97 97 LYS CB C 29.687 0.300 1 1105 97 97 LYS CD C 26.875 0.300 1 1106 97 97 LYS CE C 39.775 0.300 1 1107 97 97 LYS CG C 23.104 0.300 1 1108 97 97 LYS N N 123.192 0.300 1 1109 98 98 SER H H 8.010 0.030 1 1110 98 98 SER HA H 4.067 0.030 1 1111 98 98 SER HB2 H 3.728 0.030 2 1112 98 98 SER HB3 H 3.911 0.030 2 1113 98 98 SER C C 172.941 0.300 1 1114 98 98 SER CA C 57.594 0.300 1 1115 98 98 SER CB C 60.065 0.300 1 1116 98 98 SER N N 110.762 0.300 1 1117 99 99 GLU H H 7.666 0.030 1 1118 99 99 GLU HA H 4.242 0.030 1 1119 99 99 GLU HB2 H 1.960 0.030 2 1120 99 99 GLU HB3 H 2.212 0.030 2 1121 99 99 GLU HG2 H 2.079 0.030 1 1122 99 99 GLU HG3 H 2.079 0.030 1 1123 99 99 GLU C C 173.618 0.300 1 1124 99 99 GLU CA C 53.508 0.300 1 1125 99 99 GLU CB C 28.406 0.300 1 1126 99 99 GLU CG C 35.042 0.300 1 1127 99 99 GLU N N 119.662 0.300 1 1128 100 100 LEU H H 7.116 0.030 1 1129 100 100 LEU HA H 4.455 0.030 1 1130 100 100 LEU HB2 H 1.229 0.030 2 1131 100 100 LEU HB3 H 1.746 0.030 2 1132 100 100 LEU HD1 H 0.697 0.030 1 1133 100 100 LEU HD2 H 0.575 0.030 1 1134 100 100 LEU HG H 1.761 0.030 1 1135 100 100 LEU C C 172.911 0.300 1 1136 100 100 LEU CA C 51.499 0.300 1 1137 100 100 LEU CB C 40.052 0.300 1 1138 100 100 LEU CD1 C 24.499 0.300 2 1139 100 100 LEU CD2 C 20.335 0.300 2 1140 100 100 LEU CG C 24.626 0.300 1 1141 100 100 LEU N N 118.300 0.300 1 1142 101 101 PHE H H 6.285 0.030 1 1143 101 101 PHE HA H 4.595 0.030 1 1144 101 101 PHE HB2 H 2.600 0.030 2 1145 101 101 PHE HB3 H 3.578 0.030 2 1146 101 101 PHE HD1 H 7.495 0.030 1 1147 101 101 PHE HD2 H 7.495 0.030 1 1148 101 101 PHE HE1 H 7.133 0.030 1 1149 101 101 PHE HE2 H 7.133 0.030 1 1150 101 101 PHE HZ H 6.917 0.030 1 1151 101 101 PHE C C 170.046 0.300 1 1152 101 101 PHE CA C 52.594 0.300 1 1153 101 101 PHE CB C 36.644 0.300 1 1154 101 101 PHE CD1 C 131.646 0.300 1 1155 101 101 PHE CD2 C 131.646 0.300 1 1156 101 101 PHE CE1 C 128.556 0.300 1 1157 101 101 PHE CE2 C 128.556 0.300 1 1158 101 101 PHE CZ C 129.107 0.300 1 1159 101 101 PHE N N 114.699 0.300 1 1160 102 102 GLU H H 9.016 0.030 1 1161 102 102 GLU HA H 4.388 0.030 1 1162 102 102 GLU HB2 H 2.172 0.030 2 1163 102 102 GLU HB3 H 1.814 0.030 2 1164 102 102 GLU HG2 H 2.294 0.030 2 1165 102 102 GLU HG3 H 2.432 0.030 2 1166 102 102 GLU C C 176.902 0.300 1 1167 102 102 GLU CA C 53.050 0.300 1 1168 102 102 GLU CB C 28.535 0.300 1 1169 102 102 GLU CG C 34.585 0.300 1 1170 102 102 GLU N N 120.724 0.300 1 1171 103 103 ALA H H 9.075 0.030 1 1172 103 103 ALA HA H 3.994 0.030 1 1173 103 103 ALA HB H 1.186 0.030 1 1174 103 103 ALA C C 177.623 0.300 1 1175 103 103 ALA CA C 55.105 0.300 1 1176 103 103 ALA CB C 16.632 0.300 1 1177 103 103 ALA N N 125.932 0.300 1 1178 104 104 PHE H H 8.925 0.030 1 1179 104 104 PHE HA H 4.181 0.030 1 1180 104 104 PHE HB2 H 3.123 0.030 2 1181 104 104 PHE HB3 H 3.173 0.030 2 1182 104 104 PHE HD1 H 7.447 0.030 1 1183 104 104 PHE HD2 H 7.447 0.030 1 1184 104 104 PHE HE1 H 7.308 0.030 1 1185 104 104 PHE HE2 H 7.308 0.030 1 1186 104 104 PHE HZ H 7.196 0.030 1 1187 104 104 PHE C C 175.577 0.300 1 1188 104 104 PHE CA C 60.206 0.300 1 1189 104 104 PHE CB C 35.797 0.300 1 1190 104 104 PHE CD1 C 129.308 0.300 1 1191 104 104 PHE CD2 C 129.308 0.300 1 1192 104 104 PHE CE1 C 129.299 0.300 1 1193 104 104 PHE CE2 C 129.299 0.300 1 1194 104 104 PHE CZ C 128.186 0.300 1 1195 104 104 PHE N N 113.627 0.300 1 1196 105 105 ASP H H 8.456 0.030 1 1197 105 105 ASP HA H 4.308 0.030 1 1198 105 105 ASP HB2 H 2.771 0.030 2 1199 105 105 ASP HB3 H 3.055 0.030 2 1200 105 105 ASP C C 174.326 0.300 1 1201 105 105 ASP CA C 55.834 0.300 1 1202 105 105 ASP CB C 37.861 0.300 1 1203 105 105 ASP N N 121.378 0.300 1 1204 106 106 LEU H H 6.743 0.030 1 1205 106 106 LEU HA H 4.344 0.030 1 1206 106 106 LEU HB2 H 1.912 0.030 2 1207 106 106 LEU HB3 H 1.116 0.030 2 1208 106 106 LEU HD1 H 0.820 0.030 1 1209 106 106 LEU HD2 H 0.864 0.030 1 1210 106 106 LEU HG H 1.534 0.030 1 1211 106 106 LEU C C 175.506 0.300 1 1212 106 106 LEU CA C 53.402 0.300 1 1213 106 106 LEU CB C 41.387 0.300 1 1214 106 106 LEU CD1 C 19.830 0.300 2 1215 106 106 LEU CD2 C 24.422 0.300 2 1216 106 106 LEU CG C 25.444 0.300 1 1217 106 106 LEU N N 112.941 0.300 1 1218 107 107 PHE H H 8.501 0.030 1 1219 107 107 PHE HA H 4.125 0.030 1 1220 107 107 PHE HB2 H 2.886 0.030 2 1221 107 107 PHE HB3 H 2.413 0.030 2 1222 107 107 PHE HD1 H 7.173 0.030 1 1223 107 107 PHE HD2 H 7.173 0.030 1 1224 107 107 PHE HE1 H 7.356 0.030 1 1225 107 107 PHE HE2 H 7.356 0.030 1 1226 107 107 PHE HZ H 7.149 0.030 1 1227 107 107 PHE C C 173.053 0.300 1 1228 107 107 PHE CA C 60.488 0.300 1 1229 107 107 PHE CB C 37.808 0.300 1 1230 107 107 PHE CD1 C 129.461 0.300 1 1231 107 107 PHE CD2 C 129.461 0.300 1 1232 107 107 PHE CE1 C 129.209 0.300 1 1233 107 107 PHE CE2 C 129.209 0.300 1 1234 107 107 PHE CZ C 127.051 0.300 1 1235 107 107 PHE N N 116.934 0.300 1 1236 108 108 ASP H H 7.822 0.030 1 1237 108 108 ASP HA H 4.830 0.030 1 1238 108 108 ASP HB2 H 2.560 0.030 2 1239 108 108 ASP HB3 H 2.834 0.030 2 1240 108 108 ASP C C 172.908 0.300 1 1241 108 108 ASP CA C 50.985 0.300 1 1242 108 108 ASP CB C 39.693 0.300 1 1243 108 108 ASP N N 114.464 0.300 1 1244 109 109 VAL H H 7.391 0.030 1 1245 109 109 VAL HA H 3.352 0.030 1 1246 109 109 VAL HB H 2.268 0.030 1 1247 109 109 VAL HG1 H 0.752 0.030 1 1248 109 109 VAL HG2 H 0.512 0.030 1 1249 109 109 VAL C C 173.348 0.300 1 1250 109 109 VAL CA C 60.335 0.300 1 1251 109 109 VAL CB C 27.443 0.300 1 1252 109 109 VAL CG1 C 22.368 0.300 2 1253 109 109 VAL CG2 C 18.254 0.300 2 1254 109 109 VAL N N 116.692 0.300 1 1255 110 110 ARG H H 7.300 0.030 1 1256 110 110 ARG HA H 4.114 0.030 1 1257 110 110 ARG HB2 H 1.707 0.030 2 1258 110 110 ARG HB3 H 1.843 0.030 2 1259 110 110 ARG HD2 H 3.108 0.030 1 1260 110 110 ARG HD3 H 3.108 0.030 1 1261 110 110 ARG HG2 H 1.569 0.030 2 1262 110 110 ARG HG3 H 1.638 0.030 2 1263 110 110 ARG C C 175.018 0.300 1 1264 110 110 ARG CA C 55.623 0.300 1 1265 110 110 ARG CB C 28.847 0.300 1 1266 110 110 ARG CD C 41.258 0.300 1 1267 110 110 ARG CG C 24.946 0.300 1 1268 110 110 ARG N N 118.024 0.300 1 1269 111 111 ASP H H 8.063 0.030 1 1270 111 111 ASP HA H 4.538 0.030 1 1271 111 111 ASP HB2 H 2.735 0.030 2 1272 111 111 ASP HB3 H 2.439 0.030 2 1273 111 111 ASP C C 172.437 0.300 1 1274 111 111 ASP CA C 51.393 0.300 1 1275 111 111 ASP CB C 37.167 0.300 1 1276 111 111 ASP N N 116.685 0.300 1 1277 112 112 PHE H H 9.270 0.030 1 1278 112 112 PHE HA H 4.017 0.030 1 1279 112 112 PHE HB2 H 2.837 0.030 2 1280 112 112 PHE HB3 H 2.894 0.030 2 1281 112 112 PHE HD1 H 6.908 0.030 1 1282 112 112 PHE HD2 H 6.908 0.030 1 1283 112 112 PHE HE1 H 6.849 0.030 1 1284 112 112 PHE HE2 H 6.849 0.030 1 1285 112 112 PHE HZ H 6.597 0.030 1 1286 112 112 PHE C C 175.123 0.300 1 1287 112 112 PHE CA C 58.267 0.300 1 1288 112 112 PHE CB C 36.599 0.300 1 1289 112 112 PHE CD1 C 129.183 0.300 1 1290 112 112 PHE CD2 C 129.183 0.300 1 1291 112 112 PHE CE1 C 127.842 0.300 1 1292 112 112 PHE CE2 C 127.842 0.300 1 1293 112 112 PHE CZ C 124.983 0.300 1 1294 112 112 PHE N N 124.203 0.300 1 1295 113 113 GLY H H 8.771 0.030 1 1296 113 113 GLY HA2 H 3.516 0.030 2 1297 113 113 GLY HA3 H 3.899 0.030 2 1298 113 113 GLY C C 174.514 0.300 1 1299 113 113 GLY CA C 45.012 0.300 1 1300 113 113 GLY N N 107.309 0.300 1 1301 114 114 LYS H H 7.373 0.030 1 1302 114 114 LYS HA H 3.941 0.030 1 1303 114 114 LYS HB2 H 1.773 0.030 1 1304 114 114 LYS HB3 H 1.773 0.030 1 1305 114 114 LYS HD2 H 1.665 0.030 1 1306 114 114 LYS HD3 H 1.665 0.030 1 1307 114 114 LYS HE2 H 2.914 0.030 1 1308 114 114 LYS HE3 H 2.914 0.030 1 1309 114 114 LYS HG2 H 1.326 0.030 2 1310 114 114 LYS HG3 H 1.473 0.030 2 1311 114 114 LYS C C 177.004 0.300 1 1312 114 114 LYS CA C 56.546 0.300 1 1313 114 114 LYS CB C 30.433 0.300 1 1314 114 114 LYS CD C 27.084 0.300 1 1315 114 114 LYS CE C 39.772 0.300 1 1316 114 114 LYS CG C 23.390 0.300 1 1317 114 114 LYS N N 120.771 0.300 1 1318 115 115 VAL H H 6.857 0.030 1 1319 115 115 VAL HA H 3.131 0.030 1 1320 115 115 VAL HB H 1.498 0.030 1 1321 115 115 VAL HG1 H 0.167 0.030 1 1322 115 115 VAL HG2 H -0.155 0.030 1 1323 115 115 VAL C C 175.062 0.300 1 1324 115 115 VAL CA C 62.664 0.300 1 1325 115 115 VAL CB C 27.252 0.300 1 1326 115 115 VAL CG1 C 17.166 0.300 2 1327 115 115 VAL CG2 C 18.071 0.300 2 1328 115 115 VAL N N 120.564 0.300 1 1329 116 116 ILE H H 7.196 0.030 1 1330 116 116 ILE HA H 3.301 0.030 1 1331 116 116 ILE HB H 1.834 0.030 1 1332 116 116 ILE HD1 H 0.685 0.030 1 1333 116 116 ILE HG12 H 0.996 0.030 2 1334 116 116 ILE HG13 H 0.633 0.030 2 1335 116 116 ILE HG2 H 0.793 0.030 1 1336 116 116 ILE C C 175.454 0.300 1 1337 116 116 ILE CA C 62.485 0.300 1 1338 116 116 ILE CB C 34.381 0.300 1 1339 116 116 ILE CD1 C 10.683 0.300 1 1340 116 116 ILE CG1 C 25.845 0.300 1 1341 116 116 ILE CG2 C 15.433 0.300 1 1342 116 116 ILE N N 118.154 0.300 1 1343 117 117 GLU H H 7.813 0.030 1 1344 117 117 GLU HA H 3.835 0.030 1 1345 117 117 GLU HB2 H 1.924 0.030 2 1346 117 117 GLU HB3 H 1.967 0.030 2 1347 117 117 GLU HG2 H 2.194 0.030 1 1348 117 117 GLU HG3 H 2.194 0.030 1 1349 117 117 GLU C C 176.900 0.300 1 1350 117 117 GLU CA C 57.095 0.300 1 1351 117 117 GLU CB C 26.741 0.300 1 1352 117 117 GLU CG C 33.593 0.300 1 1353 117 117 GLU N N 118.404 0.300 1 1354 118 118 THR H H 8.157 0.030 1 1355 118 118 THR HA H 4.560 0.030 1 1356 118 118 THR HB H 3.847 0.030 1 1357 118 118 THR HG2 H 1.343 0.030 1 1358 118 118 THR C C 173.786 0.300 1 1359 118 118 THR CA C 66.097 0.300 1 1360 118 118 THR CB C 65.982 0.300 1 1361 118 118 THR CG2 C 20.136 0.300 1 1362 118 118 THR N N 117.979 0.300 1 1363 119 119 LEU H H 8.282 0.030 1 1364 119 119 LEU HA H 4.047 0.030 1 1365 119 119 LEU HB2 H 1.519 0.030 2 1366 119 119 LEU HB3 H 2.134 0.030 2 1367 119 119 LEU HD1 H 0.690 0.030 1 1368 119 119 LEU HD2 H 0.905 0.030 1 1369 119 119 LEU HG H 1.988 0.030 1 1370 119 119 LEU C C 174.527 0.300 1 1371 119 119 LEU CA C 55.658 0.300 1 1372 119 119 LEU CB C 37.519 0.300 1 1373 119 119 LEU CD1 C 23.323 0.300 2 1374 119 119 LEU CD2 C 20.909 0.300 2 1375 119 119 LEU CG C 25.159 0.300 1 1376 119 119 LEU N N 120.805 0.300 1 1377 120 120 SER H H 8.282 0.030 1 1378 120 120 SER HA H 2.421 0.030 1 1379 120 120 SER HB2 H 3.571 0.030 2 1380 120 120 SER HB3 H 3.027 0.030 2 1381 120 120 SER C C 176.681 0.300 1 1382 120 120 SER CA C 57.421 0.300 1 1383 120 120 SER CB C 60.088 0.300 1 1384 120 120 SER N N 115.205 0.300 1 1385 121 121 ARG H H 7.900 0.030 1 1386 121 121 ARG HA H 3.670 0.030 1 1387 121 121 ARG HB2 H 1.840 0.030 2 1388 121 121 ARG HB3 H 1.652 0.030 2 1389 121 121 ARG HD2 H 2.966 0.030 2 1390 121 121 ARG HD3 H 3.188 0.030 2 1391 121 121 ARG HG2 H 1.497 0.030 2 1392 121 121 ARG HG3 H 1.713 0.030 2 1393 121 121 ARG C C 177.474 0.300 1 1394 121 121 ARG CA C 57.371 0.300 1 1395 121 121 ARG CB C 27.582 0.300 1 1396 121 121 ARG CD C 41.176 0.300 1 1397 121 121 ARG CG C 26.510 0.300 1 1398 121 121 ARG N N 120.659 0.300 1 1399 122 122 LEU H H 8.689 0.030 1 1400 122 122 LEU HA H 4.294 0.030 1 1401 122 122 LEU HB2 H 2.138 0.030 2 1402 122 122 LEU HB3 H 1.385 0.030 2 1403 122 122 LEU HD1 H 0.507 0.030 1 1404 122 122 LEU HD2 H 0.915 0.030 1 1405 122 122 LEU HG H 1.424 0.030 1 1406 122 122 LEU C C 177.282 0.300 1 1407 122 122 LEU CA C 55.306 0.300 1 1408 122 122 LEU CB C 39.310 0.300 1 1409 122 122 LEU CD1 C 20.260 0.300 2 1410 122 122 LEU CD2 C 25.338 0.300 2 1411 122 122 LEU CG C 25.460 0.300 1 1412 122 122 LEU N N 124.020 0.300 1 1413 123 123 SER H H 7.886 0.030 1 1414 123 123 SER HA H 3.954 0.030 1 1415 123 123 SER HB2 H 2.375 0.030 2 1416 123 123 SER HB3 H 3.193 0.030 2 1417 123 123 SER C C 170.328 0.300 1 1418 123 123 SER CA C 58.921 0.300 1 1419 123 123 SER CB C 59.830 0.300 1 1420 123 123 SER N N 116.606 0.300 1 1421 124 124 ARG H H 6.876 0.030 1 1422 124 124 ARG HA H 4.411 0.030 1 1423 124 124 ARG HB2 H 1.849 0.030 2 1424 124 124 ARG HB3 H 1.549 0.030 2 1425 124 124 ARG HD2 H 2.981 0.030 2 1426 124 124 ARG HD3 H 2.924 0.030 2 1427 124 124 ARG HG2 H 1.440 0.030 2 1428 124 124 ARG HG3 H 1.544 0.030 2 1429 124 124 ARG C C 173.850 0.300 1 1430 124 124 ARG CA C 52.854 0.300 1 1431 124 124 ARG CB C 28.590 0.300 1 1432 124 124 ARG CD C 41.176 0.300 1 1433 124 124 ARG CG C 26.090 0.300 1 1434 124 124 ARG N N 116.045 0.300 1 1435 125 125 THR H H 7.712 0.030 1 1436 125 125 THR HA H 4.519 0.030 1 1437 125 125 THR HB H 4.798 0.030 1 1438 125 125 THR HG2 H 1.727 0.030 1 1439 125 125 THR C C 171.253 0.300 1 1440 125 125 THR CA C 58.631 0.300 1 1441 125 125 THR CB C 67.763 0.300 1 1442 125 125 THR CG2 C 21.205 0.300 1 1443 125 125 THR N N 112.722 0.300 1 1444 126 126 PRO HA H 4.120 0.030 1 1445 126 126 PRO HB2 H 1.884 0.030 2 1446 126 126 PRO HB3 H 2.318 0.030 2 1447 126 126 PRO HD2 H 3.868 0.030 2 1448 126 126 PRO HD3 H 4.078 0.030 2 1449 126 126 PRO HG2 H 2.166 0.030 2 1450 126 126 PRO HG3 H 2.023 0.030 2 1451 126 126 PRO C C 177.861 0.300 1 1452 126 126 PRO CA C 63.900 0.300 1 1453 126 126 PRO CB C 29.820 0.300 1 1454 126 126 PRO CD C 47.909 0.300 1 1455 126 126 PRO CG C 25.536 0.300 1 1456 127 127 ILE H H 8.053 0.030 1 1457 127 127 ILE HA H 3.633 0.030 1 1458 127 127 ILE HB H 1.551 0.030 1 1459 127 127 ILE HD1 H 0.279 0.030 1 1460 127 127 ILE HG12 H 1.546 0.030 2 1461 127 127 ILE HG13 H 0.789 0.030 2 1462 127 127 ILE HG2 H 0.616 0.030 1 1463 127 127 ILE C C 176.036 0.300 1 1464 127 127 ILE CA C 63.056 0.300 1 1465 127 127 ILE CB C 35.494 0.300 1 1466 127 127 ILE CD1 C 11.335 0.300 1 1467 127 127 ILE CG1 C 27.750 0.300 1 1468 127 127 ILE CG2 C 16.751 0.300 1 1469 127 127 ILE N N 115.050 0.300 1 1470 128 128 ALA H H 7.442 0.030 1 1471 128 128 ALA HA H 4.202 0.030 1 1472 128 128 ALA HB H 1.714 0.030 1 1473 128 128 ALA C C 178.398 0.300 1 1474 128 128 ALA CA C 53.684 0.300 1 1475 128 128 ALA CB C 17.000 0.300 1 1476 128 128 ALA N N 121.887 0.300 1 1477 129 129 LEU H H 9.036 0.030 1 1478 129 129 LEU HA H 4.097 0.030 1 1479 129 129 LEU HB2 H 1.376 0.030 2 1480 129 129 LEU HB3 H 1.778 0.030 2 1481 129 129 LEU HD1 H 0.725 0.030 1 1482 129 129 LEU HD2 H 0.896 0.030 1 1483 129 129 LEU HG H 1.761 0.030 1 1484 129 129 LEU C C 179.167 0.300 1 1485 129 129 LEU CA C 55.165 0.300 1 1486 129 129 LEU CB C 39.303 0.300 1 1487 129 129 LEU CD1 C 23.784 0.300 2 1488 129 129 LEU CD2 C 20.689 0.300 2 1489 129 129 LEU CG C 23.894 0.300 1 1490 129 129 LEU N N 117.340 0.300 1 1491 130 130 ALA H H 7.779 0.030 1 1492 130 130 ALA HA H 4.162 0.030 1 1493 130 130 ALA HB H 1.495 0.030 1 1494 130 130 ALA C C 176.274 0.300 1 1495 130 130 ALA CA C 51.781 0.300 1 1496 130 130 ALA CB C 15.695 0.300 1 1497 130 130 ALA N N 120.899 0.300 1 1498 131 131 THR H H 7.545 0.030 1 1499 131 131 THR HA H 4.205 0.030 1 1500 131 131 THR HB H 4.313 0.030 1 1501 131 131 THR HG2 H 1.612 0.030 1 1502 131 131 THR C C 174.688 0.300 1 1503 131 131 THR CA C 61.721 0.300 1 1504 131 131 THR CB C 68.988 0.300 1 1505 131 131 THR CG2 C 19.641 0.300 1 1506 131 131 THR N N 107.623 0.300 1 1507 132 132 GLY H H 7.674 0.030 1 1508 132 132 GLY HA2 H 3.630 0.030 2 1509 132 132 GLY HA3 H 4.216 0.030 2 1510 132 132 GLY C C 171.547 0.300 1 1511 132 132 GLY CA C 43.003 0.300 1 1512 132 132 GLY N N 108.240 0.300 1 1513 133 133 ILE H H 8.032 0.030 1 1514 133 133 ILE HA H 3.728 0.030 1 1515 133 133 ILE HB H 1.651 0.030 1 1516 133 133 ILE HD1 H 0.745 0.030 1 1517 133 133 ILE HG12 H 1.346 0.030 2 1518 133 133 ILE HG13 H 0.755 0.030 2 1519 133 133 ILE HG2 H 0.977 0.030 1 1520 133 133 ILE C C 175.099 0.300 1 1521 133 133 ILE CA C 59.560 0.300 1 1522 133 133 ILE CB C 35.568 0.300 1 1523 133 133 ILE CD1 C 11.396 0.300 1 1524 133 133 ILE CG1 C 26.636 0.300 1 1525 133 133 ILE CG2 C 16.511 0.300 1 1526 133 133 ILE N N 124.006 0.300 1 1527 134 134 ARG H H 8.674 0.030 1 1528 134 134 ARG HA H 4.271 0.030 1 1529 134 134 ARG HB2 H 1.794 0.030 2 1530 134 134 ARG HB3 H 1.859 0.030 2 1531 134 134 ARG HD2 H 3.173 0.030 1 1532 134 134 ARG HD3 H 3.173 0.030 1 1533 134 134 ARG HG2 H 1.772 0.030 1 1534 134 134 ARG HG3 H 1.772 0.030 1 1535 134 134 ARG C C 171.374 0.300 1 1536 134 134 ARG CA C 52.662 0.300 1 1537 134 134 ARG CB C 27.152 0.300 1 1538 134 134 ARG CD C 41.044 0.300 1 1539 134 134 ARG CG C 24.770 0.300 1 1540 134 134 ARG N N 132.524 0.300 1 1541 135 135 PRO HA H 4.220 0.030 1 1542 135 135 PRO HB2 H 1.516 0.030 2 1543 135 135 PRO HB3 H 2.075 0.030 2 1544 135 135 PRO HD2 H 3.537 0.030 1 1545 135 135 PRO HD3 H 3.537 0.030 1 1546 135 135 PRO HG2 H 1.857 0.030 2 1547 135 135 PRO HG3 H 1.593 0.030 2 1548 135 135 PRO C C 172.924 0.300 1 1549 135 135 PRO CA C 59.959 0.300 1 1550 135 135 PRO CB C 31.112 0.300 1 1551 135 135 PRO CD C 47.670 0.300 1 1552 135 135 PRO CG C 24.204 0.300 1 1553 136 136 PHE H H 7.918 0.030 1 1554 136 136 PHE HA H 4.761 0.030 1 1555 136 136 PHE HB2 H 2.517 0.030 2 1556 136 136 PHE HB3 H 2.895 0.030 2 1557 136 136 PHE HD1 H 6.293 0.030 1 1558 136 136 PHE HD2 H 6.293 0.030 1 1559 136 136 PHE HE1 H 6.556 0.030 1 1560 136 136 PHE HE2 H 6.556 0.030 1 1561 136 136 PHE HZ H 7.042 0.030 1 1562 136 136 PHE C C 169.845 0.300 1 1563 136 136 PHE CA C 51.745 0.300 1 1564 136 136 PHE CB C 40.021 0.300 1 1565 136 136 PHE CD1 C 129.460 0.300 1 1566 136 136 PHE CD2 C 129.460 0.300 1 1567 136 136 PHE CE1 C 130.449 0.300 1 1568 136 136 PHE CE2 C 130.449 0.300 1 1569 136 136 PHE CZ C 126.417 0.300 1 1570 136 136 PHE N N 115.754 0.300 1 1571 137 137 PRO HA H 4.764 0.030 1 1572 137 137 PRO HB2 H 2.187 0.030 1 1573 137 137 PRO HB3 H 2.187 0.030 1 1574 137 137 PRO HD2 H 2.859 0.030 2 1575 137 137 PRO HD3 H 3.157 0.030 2 1576 137 137 PRO HG2 H 1.764 0.030 2 1577 137 137 PRO HG3 H 1.672 0.030 2 1578 137 137 PRO C C 173.716 0.300 1 1579 137 137 PRO CA C 60.367 0.300 1 1580 137 137 PRO CB C 32.913 0.300 1 1581 137 137 PRO CD C 47.628 0.300 1 1582 137 137 PRO CG C 22.314 0.300 1 1583 138 138 SER H H 8.895 0.030 1 1584 138 138 SER HA H 4.380 0.030 1 1585 138 138 SER HB2 H 3.803 0.030 1 1586 138 138 SER HB3 H 3.803 0.030 1 1587 138 138 SER C C 172.224 0.300 1 1588 138 138 SER CA C 56.088 0.300 1 1589 138 138 SER CB C 62.020 0.300 1 1590 138 138 SER N N 115.968 0.300 1 1591 139 139 GLY HA2 H 3.976 0.030 2 1592 139 139 GLY HA3 H 4.073 0.030 2 1593 139 139 GLY CA C 42.259 0.300 1 1594 140 140 PRO HA H 4.356 0.030 1 1595 140 140 PRO HB2 H 2.182 0.030 2 1596 140 140 PRO HB3 H 1.864 0.030 2 1597 140 140 PRO HD2 H 3.505 0.030 1 1598 140 140 PRO HD3 H 3.505 0.030 1 1599 140 140 PRO HG2 H 1.900 0.030 1 1600 140 140 PRO HG3 H 1.900 0.030 1 1601 140 140 PRO CA C 60.903 0.300 1 1602 140 140 PRO CB C 29.867 0.300 1 1603 140 140 PRO CD C 47.399 0.300 1 1604 140 140 PRO CG C 24.784 0.300 1 1605 142 142 SER HA H 4.375 0.030 1 1606 142 142 SER HB2 H 3.763 0.030 1 1607 142 142 SER HB3 H 3.763 0.030 1 1608 142 142 SER C C 171.515 0.300 1 1609 142 142 SER CA C 56.011 0.300 1 1610 142 142 SER CB C 61.691 0.300 1 1611 143 143 GLY H H 7.939 0.030 1 1612 143 143 GLY HA2 H 3.688 0.030 2 1613 143 143 GLY HA3 H 3.637 0.030 2 1614 143 143 GLY C C 176.544 0.300 1 1615 143 143 GLY CA C 43.852 0.300 1 1616 143 143 GLY N N 116.402 0.300 1 stop_ save_