data_10164 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the A1pp domain from human protein C6orf130 ; _BMRB_accession_number 10164 _BMRB_flat_file_name bmr10164.str _Entry_type new _Submission_date 2007-12-28 _Accession_date 2008-01-08 _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 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 5 Kigawa T. . . 6 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" 859 "13C chemical shifts" 646 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-23 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the A1pp domain from human protein C6orf130' _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 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 5 Kigawa T. . . 6 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 'Uncharacterized protein C6orf130' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Uncharacterized protein C6orf130' $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 'A1pp domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 149 _Mol_residue_sequence ; GSSGSSGGSRITYVKGDLFA CPKTDSLAHCISEDCRMGAG IAVLFKKKFGGVQELLNQQK KSGEVAVLKRDGRYIYYLIT KKRASHKPTYENLQKSLEAM KSHCLKNGVTDLSMPRIGCG LDRLQWENVSAMIEEVFEAT DIKITVYTL ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLY 9 SER 10 ARG 11 ILE 12 THR 13 TYR 14 VAL 15 LYS 16 GLY 17 ASP 18 LEU 19 PHE 20 ALA 21 CYS 22 PRO 23 LYS 24 THR 25 ASP 26 SER 27 LEU 28 ALA 29 HIS 30 CYS 31 ILE 32 SER 33 GLU 34 ASP 35 CYS 36 ARG 37 MET 38 GLY 39 ALA 40 GLY 41 ILE 42 ALA 43 VAL 44 LEU 45 PHE 46 LYS 47 LYS 48 LYS 49 PHE 50 GLY 51 GLY 52 VAL 53 GLN 54 GLU 55 LEU 56 LEU 57 ASN 58 GLN 59 GLN 60 LYS 61 LYS 62 SER 63 GLY 64 GLU 65 VAL 66 ALA 67 VAL 68 LEU 69 LYS 70 ARG 71 ASP 72 GLY 73 ARG 74 TYR 75 ILE 76 TYR 77 TYR 78 LEU 79 ILE 80 THR 81 LYS 82 LYS 83 ARG 84 ALA 85 SER 86 HIS 87 LYS 88 PRO 89 THR 90 TYR 91 GLU 92 ASN 93 LEU 94 GLN 95 LYS 96 SER 97 LEU 98 GLU 99 ALA 100 MET 101 LYS 102 SER 103 HIS 104 CYS 105 LEU 106 LYS 107 ASN 108 GLY 109 VAL 110 THR 111 ASP 112 LEU 113 SER 114 MET 115 PRO 116 ARG 117 ILE 118 GLY 119 CYS 120 GLY 121 LEU 122 ASP 123 ARG 124 LEU 125 GLN 126 TRP 127 GLU 128 ASN 129 VAL 130 SER 131 ALA 132 MET 133 ILE 134 GLU 135 GLU 136 VAL 137 PHE 138 GLU 139 ALA 140 THR 141 ASP 142 ILE 143 LYS 144 ILE 145 THR 146 VAL 147 TYR 148 THR 149 LEU 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 BMRB 15593 C6orf130 95.30 160 100.00 100.00 4.16e-100 BMRB 17421 C6orf130 95.30 151 100.00 100.00 2.72e-100 PDB 2EEE "Solution Structure Of The A1pp Domain From Human Protein C6orf130" 100.00 149 100.00 100.00 3.16e-105 PDB 2L8R "Solution Structure Of Human Protein C6orf130 In Complex With Adp- Ribose" 95.30 151 100.00 100.00 2.72e-100 PDB 2LGR "Solution Structure Of Human Protein C6orf130, A Putative Macro Domain" 95.30 160 100.00 100.00 4.16e-100 PDB 4J5Q "Targ1 (c6orf130), Terminal Adp-ribose Glycohydrolase 1, Apo Structure" 95.30 146 100.00 100.00 3.45e-100 PDB 4J5R "Targ1 (c6orf130), Terminal Adp-ribose Glycohydrolase 1 Bound To Adp- Hpd" 97.99 146 98.63 98.63 4.38e-101 PDB 4J5S "Targ1 (c6orf130), Terminal Adp-ribose Glycohydrolase 1 Adp-ribose Complex" 97.99 146 98.63 98.63 4.38e-101 DBJ BAF83628 "unnamed protein product [Homo sapiens]" 95.30 152 100.00 100.00 1.90e-100 DBJ BAG36161 "unnamed protein product [Homo sapiens]" 95.30 152 100.00 100.00 1.90e-100 GB AAH11709 "Chromosome 6 open reading frame 130 [Homo sapiens]" 95.30 152 100.00 100.00 1.90e-100 GB AIC53444 "C6orf130, partial [synthetic construct]" 95.30 152 100.00 100.00 1.90e-100 GB AIC58012 "C6orf130, partial [synthetic construct]" 95.30 152 100.00 100.00 2.76e-100 GB EAX04011 "chromosome 6 open reading frame 130, isoform CRA_b [Homo sapiens]" 95.30 152 100.00 100.00 1.90e-100 GB EAX04012 "chromosome 6 open reading frame 130, isoform CRA_b [Homo sapiens]" 95.30 152 100.00 100.00 1.90e-100 REF NP_001181654 "O-acetyl-ADP-ribose deacetylase C6orf130 homolog [Macaca mulatta]" 95.30 152 100.00 100.00 1.90e-100 REF NP_659500 "O-acetyl-ADP-ribose deacetylase 1 [Homo sapiens]" 95.30 152 100.00 100.00 1.90e-100 REF XP_001117219 "PREDICTED: uncharacterized protein C6orf130-like isoform 2 [Macaca mulatta]" 95.30 152 100.00 100.00 1.90e-100 REF XP_001117235 "PREDICTED: uncharacterized protein C6orf130-like isoform 3 [Macaca mulatta]" 95.30 152 100.00 100.00 1.90e-100 REF XP_001174030 "PREDICTED: O-acetyl-ADP-ribose deacetylase 1 [Pan troglodytes]" 95.30 152 100.00 100.00 1.90e-100 SP Q9Y530 "RecName: Full=O-acetyl-ADP-ribose deacetylase 1" 95.30 152 100.00 100.00 1.90e-100 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' . . . . plasmid P060821-05 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.22 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20060524 loop_ _Vendor _Address _Electronic_address 'Delaglio, F' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _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_software_4 _Saveframe_category software _Name kujira _Version 0.9823 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guentert, P.' . . stop_ loop_ _Task 'structure solution' refinement 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_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-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 'Uncharacterized protein C6orf130' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 5 5 SER CA C 58.376 0.300 1 2 5 5 SER HA H 4.528 0.030 1 3 5 5 SER CB C 63.813 0.300 1 4 5 5 SER HB2 H 3.901 0.030 2 5 5 5 SER C C 174.968 0.300 1 6 6 6 SER N N 117.996 0.300 1 7 6 6 SER H H 8.503 0.030 1 8 6 6 SER CA C 58.642 0.300 1 9 6 6 SER HA H 4.526 0.030 1 10 6 6 SER CB C 63.855 0.300 1 11 6 6 SER HB2 H 3.926 0.030 1 12 6 6 SER HB3 H 3.926 0.030 1 13 6 6 SER C C 175.129 0.300 1 14 7 7 GLY N N 110.904 0.300 1 15 7 7 GLY H H 8.470 0.030 1 16 7 7 GLY CA C 45.430 0.300 1 17 7 7 GLY HA2 H 4.030 0.030 1 18 7 7 GLY HA3 H 4.030 0.030 1 19 7 7 GLY C C 174.606 0.300 1 20 8 8 GLY N N 108.942 0.300 1 21 8 8 GLY H H 8.286 0.030 1 22 8 8 GLY CA C 45.058 0.300 1 23 8 8 GLY HA2 H 4.027 0.030 2 24 8 8 GLY HA3 H 4.199 0.030 2 25 8 8 GLY C C 173.943 0.300 1 26 9 9 SER N N 115.435 0.300 1 27 9 9 SER H H 8.275 0.030 1 28 9 9 SER CA C 57.847 0.300 1 29 9 9 SER HA H 4.616 0.030 1 30 9 9 SER CB C 64.102 0.300 1 31 9 9 SER HB2 H 3.855 0.030 2 32 9 9 SER HB3 H 3.949 0.030 2 33 9 9 SER C C 174.962 0.300 1 34 10 10 ARG N N 126.156 0.300 1 35 10 10 ARG H H 9.427 0.030 1 36 10 10 ARG CA C 56.662 0.300 1 37 10 10 ARG HA H 4.332 0.030 1 38 10 10 ARG CB C 30.289 0.300 1 39 10 10 ARG HB2 H 1.874 0.030 2 40 10 10 ARG HB3 H 2.008 0.030 2 41 10 10 ARG CG C 26.413 0.300 1 42 10 10 ARG HG2 H 1.555 0.030 2 43 10 10 ARG HG3 H 1.720 0.030 2 44 10 10 ARG CD C 42.385 0.300 1 45 10 10 ARG HD2 H 3.036 0.030 2 46 10 10 ARG HD3 H 3.422 0.030 2 47 10 10 ARG NE N 83.899 0.300 1 48 10 10 ARG HE H 7.582 0.030 1 49 10 10 ARG C C 175.504 0.300 1 50 11 11 ILE N N 119.127 0.300 1 51 11 11 ILE H H 8.176 0.030 1 52 11 11 ILE CA C 61.153 0.300 1 53 11 11 ILE HA H 4.553 0.030 1 54 11 11 ILE CB C 39.949 0.300 1 55 11 11 ILE HB H 1.541 0.030 1 56 11 11 ILE CG1 C 28.113 0.300 1 57 11 11 ILE HG12 H 0.543 0.030 2 58 11 11 ILE HG13 H 1.521 0.030 2 59 11 11 ILE CG2 C 17.693 0.300 1 60 11 11 ILE HG2 H 0.243 0.030 1 61 11 11 ILE CD1 C 14.301 0.300 1 62 11 11 ILE HD1 H 0.899 0.030 1 63 11 11 ILE C C 176.134 0.300 1 64 12 12 THR N N 124.682 0.300 1 65 12 12 THR H H 8.534 0.030 1 66 12 12 THR CA C 61.630 0.300 1 67 12 12 THR HA H 4.359 0.030 1 68 12 12 THR CB C 70.705 0.300 1 69 12 12 THR HB H 3.889 0.030 1 70 12 12 THR CG2 C 21.233 0.300 1 71 12 12 THR HG2 H 1.118 0.030 1 72 12 12 THR C C 171.804 0.300 1 73 13 13 TYR N N 124.043 0.300 1 74 13 13 TYR H H 8.691 0.030 1 75 13 13 TYR CA C 57.846 0.300 1 76 13 13 TYR HA H 5.099 0.030 1 77 13 13 TYR CB C 39.895 0.300 1 78 13 13 TYR HB2 H 2.675 0.030 2 79 13 13 TYR HB3 H 2.849 0.030 2 80 13 13 TYR CD1 C 133.473 0.300 1 81 13 13 TYR HD1 H 7.040 0.030 1 82 13 13 TYR CD2 C 133.473 0.300 1 83 13 13 TYR HD2 H 7.040 0.030 1 84 13 13 TYR CE1 C 117.185 0.300 1 85 13 13 TYR HE1 H 6.789 0.030 1 86 13 13 TYR CE2 C 117.185 0.300 1 87 13 13 TYR HE2 H 6.789 0.030 1 88 13 13 TYR C C 175.924 0.300 1 89 14 14 VAL N N 124.012 0.300 1 90 14 14 VAL H H 8.633 0.030 1 91 14 14 VAL CA C 60.958 0.300 1 92 14 14 VAL HA H 4.015 0.030 1 93 14 14 VAL CB C 35.416 0.300 1 94 14 14 VAL HB H 0.746 0.030 1 95 14 14 VAL CG1 C 21.496 0.300 2 96 14 14 VAL HG1 H 0.566 0.030 1 97 14 14 VAL CG2 C 21.746 0.300 2 98 14 14 VAL HG2 H 0.362 0.030 1 99 14 14 VAL C C 173.974 0.300 1 100 15 15 LYS N N 127.960 0.300 1 101 15 15 LYS H H 8.318 0.030 1 102 15 15 LYS CA C 54.152 0.300 1 103 15 15 LYS HA H 5.126 0.030 1 104 15 15 LYS CB C 32.086 0.300 1 105 15 15 LYS HB2 H 1.798 0.030 2 106 15 15 LYS HB3 H 1.586 0.030 2 107 15 15 LYS CG C 24.699 0.300 1 108 15 15 LYS HG2 H 1.227 0.030 2 109 15 15 LYS HG3 H 1.407 0.030 2 110 15 15 LYS CD C 29.346 0.300 1 111 15 15 LYS HD2 H 1.647 0.030 1 112 15 15 LYS HD3 H 1.647 0.030 1 113 15 15 LYS CE C 42.134 0.300 1 114 15 15 LYS HE2 H 2.963 0.030 1 115 15 15 LYS HE3 H 2.963 0.030 1 116 15 15 LYS C C 176.050 0.300 1 117 16 16 GLY N N 114.545 0.300 1 118 16 16 GLY H H 8.508 0.030 1 119 16 16 GLY CA C 45.006 0.300 1 120 16 16 GLY HA2 H 4.028 0.030 2 121 16 16 GLY HA3 H 4.197 0.030 2 122 16 16 GLY C C 170.957 0.300 1 123 17 17 ASP N N 119.423 0.300 1 124 17 17 ASP H H 8.271 0.030 1 125 17 17 ASP CA C 53.164 0.300 1 126 17 17 ASP HA H 4.407 0.030 1 127 17 17 ASP CB C 41.912 0.300 1 128 17 17 ASP HB2 H 2.567 0.030 2 129 17 17 ASP HB3 H 2.671 0.030 2 130 17 17 ASP C C 176.089 0.300 1 131 18 18 LEU N N 130.056 0.300 1 132 18 18 LEU H H 8.304 0.030 1 133 18 18 LEU CA C 57.156 0.300 1 134 18 18 LEU HA H 2.425 0.030 1 135 18 18 LEU CB C 42.959 0.300 1 136 18 18 LEU HB2 H 1.107 0.030 2 137 18 18 LEU HB3 H 0.803 0.030 2 138 18 18 LEU CG C 26.282 0.300 1 139 18 18 LEU HG H 0.538 0.030 1 140 18 18 LEU CD1 C 24.689 0.300 2 141 18 18 LEU HD1 H 0.424 0.030 1 142 18 18 LEU CD2 C 27.290 0.300 2 143 18 18 LEU HD2 H 0.453 0.030 1 144 18 18 LEU C C 175.737 0.300 1 145 19 19 PHE N N 109.678 0.300 1 146 19 19 PHE H H 7.461 0.030 1 147 19 19 PHE CA C 59.844 0.300 1 148 19 19 PHE HA H 3.920 0.030 1 149 19 19 PHE CB C 36.735 0.300 1 150 19 19 PHE HB2 H 3.062 0.030 2 151 19 19 PHE HB3 H 2.782 0.030 2 152 19 19 PHE CD1 C 130.876 0.300 1 153 19 19 PHE HD1 H 7.121 0.030 1 154 19 19 PHE CD2 C 130.876 0.300 1 155 19 19 PHE HD2 H 7.121 0.030 1 156 19 19 PHE CE1 C 130.826 0.300 1 157 19 19 PHE HE1 H 6.468 0.030 1 158 19 19 PHE CE2 C 130.826 0.300 1 159 19 19 PHE HE2 H 6.468 0.030 1 160 19 19 PHE CZ C 128.896 0.300 1 161 19 19 PHE HZ H 5.925 0.030 1 162 19 19 PHE C C 175.833 0.300 1 163 20 20 ALA N N 123.506 0.300 1 164 20 20 ALA H H 7.752 0.030 1 165 20 20 ALA CA C 51.160 0.300 1 166 20 20 ALA HA H 4.518 0.030 1 167 20 20 ALA CB C 18.395 0.300 1 168 20 20 ALA HB H 1.450 0.030 1 169 20 20 ALA C C 176.772 0.300 1 170 21 21 CYS N N 118.823 0.300 1 171 21 21 CYS H H 7.225 0.030 1 172 21 21 CYS CA C 56.813 0.300 1 173 21 21 CYS HA H 4.580 0.030 1 174 21 21 CYS CB C 25.916 0.300 1 175 21 21 CYS HB2 H 2.591 0.030 2 176 21 21 CYS HB3 H 3.474 0.030 2 177 21 21 CYS C C 170.919 0.300 1 178 22 22 PRO CA C 64.000 0.300 1 179 22 22 PRO HA H 4.373 0.030 1 180 22 22 PRO CB C 31.802 0.300 1 181 22 22 PRO HB2 H 1.828 0.030 2 182 22 22 PRO HB3 H 2.322 0.030 2 183 22 22 PRO CG C 28.349 0.300 1 184 22 22 PRO HG2 H 2.122 0.030 2 185 22 22 PRO HG3 H 1.954 0.030 2 186 22 22 PRO CD C 50.789 0.300 1 187 22 22 PRO HD2 H 3.550 0.030 2 188 22 22 PRO HD3 H 3.747 0.030 2 189 22 22 PRO C C 178.609 0.300 1 190 23 23 LYS N N 122.870 0.300 1 191 23 23 LYS H H 8.785 0.030 1 192 23 23 LYS CA C 58.671 0.300 1 193 23 23 LYS HA H 4.103 0.030 1 194 23 23 LYS CB C 32.078 0.300 1 195 23 23 LYS HB2 H 1.922 0.030 1 196 23 23 LYS HB3 H 1.922 0.030 1 197 23 23 LYS CG C 24.793 0.300 1 198 23 23 LYS HG2 H 1.600 0.030 1 199 23 23 LYS HG3 H 1.600 0.030 1 200 23 23 LYS CD C 29.389 0.300 1 201 23 23 LYS HD2 H 1.749 0.030 1 202 23 23 LYS HD3 H 1.749 0.030 1 203 23 23 LYS CE C 42.052 0.300 1 204 23 23 LYS HE2 H 3.035 0.030 1 205 23 23 LYS HE3 H 3.035 0.030 1 206 23 23 LYS C C 175.722 0.300 1 207 24 24 THR N N 102.744 0.300 1 208 24 24 THR H H 7.097 0.030 1 209 24 24 THR CA C 61.064 0.300 1 210 24 24 THR HA H 4.166 0.030 1 211 24 24 THR CB C 68.805 0.300 1 212 24 24 THR HB H 4.521 0.030 1 213 24 24 THR CG2 C 22.148 0.300 1 214 24 24 THR HG2 H 1.216 0.030 1 215 24 24 THR C C 176.216 0.300 1 216 25 25 ASP N N 125.303 0.300 1 217 25 25 ASP H H 7.768 0.030 1 218 25 25 ASP CA C 55.246 0.300 1 219 25 25 ASP HA H 4.536 0.030 1 220 25 25 ASP CB C 40.321 0.300 1 221 25 25 ASP HB2 H 2.921 0.030 2 222 25 25 ASP HB3 H 2.643 0.030 2 223 25 25 ASP C C 177.718 0.300 1 224 26 26 SER N N 118.303 0.300 1 225 26 26 SER H H 8.472 0.030 1 226 26 26 SER CA C 61.547 0.300 1 227 26 26 SER HA H 5.138 0.030 1 228 26 26 SER CB C 65.326 0.300 1 229 26 26 SER HB2 H 4.381 0.030 2 230 26 26 SER HB3 H 4.086 0.030 2 231 26 26 SER C C 172.446 0.300 1 232 27 27 LEU N N 121.957 0.300 1 233 27 27 LEU H H 8.553 0.030 1 234 27 27 LEU CA C 53.919 0.300 1 235 27 27 LEU HA H 6.004 0.030 1 236 27 27 LEU CB C 48.728 0.300 1 237 27 27 LEU HB2 H 1.757 0.030 2 238 27 27 LEU HB3 H 1.527 0.030 2 239 27 27 LEU CG C 28.309 0.300 1 240 27 27 LEU HG H 1.523 0.030 1 241 27 27 LEU CD1 C 26.043 0.300 2 242 27 27 LEU HD1 H 0.746 0.030 1 243 27 27 LEU CD2 C 25.891 0.300 2 244 27 27 LEU HD2 H 0.702 0.030 1 245 27 27 LEU C C 176.071 0.300 1 246 28 28 ALA N N 119.120 0.300 1 247 28 28 ALA H H 8.083 0.030 1 248 28 28 ALA CA C 50.738 0.300 1 249 28 28 ALA HA H 5.833 0.030 1 250 28 28 ALA CB C 24.493 0.300 1 251 28 28 ALA HB H 1.377 0.030 1 252 28 28 ALA C C 174.396 0.300 1 253 29 29 HIS N N 111.296 0.300 1 254 29 29 HIS H H 8.042 0.030 1 255 29 29 HIS CA C 55.617 0.300 1 256 29 29 HIS HA H 4.552 0.030 1 257 29 29 HIS CB C 31.644 0.300 1 258 29 29 HIS HB2 H 2.957 0.030 1 259 29 29 HIS HB3 H 2.957 0.030 1 260 29 29 HIS CD2 C 115.501 0.300 1 261 29 29 HIS HD2 H 5.625 0.030 1 262 29 29 HIS CE1 C 132.921 0.300 1 263 29 29 HIS HE1 H 7.045 0.030 1 264 29 29 HIS C C 172.453 0.300 1 265 30 30 CYS N N 115.842 0.300 1 266 30 30 CYS H H 8.182 0.030 1 267 30 30 CYS CA C 57.610 0.300 1 268 30 30 CYS HA H 5.489 0.030 1 269 30 30 CYS CB C 30.518 0.300 1 270 30 30 CYS HB2 H 2.987 0.030 2 271 30 30 CYS HB3 H 3.057 0.030 2 272 30 30 CYS C C 175.085 0.300 1 273 31 31 ILE N N 117.447 0.300 1 274 31 31 ILE H H 9.209 0.030 1 275 31 31 ILE CA C 60.057 0.300 1 276 31 31 ILE HA H 4.816 0.030 1 277 31 31 ILE CB C 43.206 0.300 1 278 31 31 ILE HB H 2.246 0.030 1 279 31 31 ILE CG1 C 26.719 0.300 1 280 31 31 ILE HG12 H 0.454 0.030 2 281 31 31 ILE HG13 H 1.261 0.030 2 282 31 31 ILE CG2 C 19.824 0.300 1 283 31 31 ILE HG2 H 0.699 0.030 1 284 31 31 ILE CD1 C 16.499 0.300 1 285 31 31 ILE HD1 H 1.000 0.030 1 286 31 31 ILE C C 173.249 0.300 1 287 32 32 SER N N 111.596 0.300 1 288 32 32 SER H H 7.858 0.030 1 289 32 32 SER CA C 55.599 0.300 1 290 32 32 SER HA H 5.139 0.030 1 291 32 32 SER CB C 66.377 0.300 1 292 32 32 SER HB2 H 3.616 0.030 2 293 32 32 SER HB3 H 3.276 0.030 2 294 32 32 SER C C 176.120 0.300 1 295 33 33 GLU N N 118.525 0.300 1 296 33 33 GLU H H 8.189 0.030 1 297 33 33 GLU CA C 59.273 0.300 1 298 33 33 GLU HA H 3.759 0.030 1 299 33 33 GLU CB C 30.553 0.300 1 300 33 33 GLU HB2 H 2.172 0.030 2 301 33 33 GLU HB3 H 2.340 0.030 2 302 33 33 GLU CG C 37.797 0.300 1 303 33 33 GLU HG2 H 2.473 0.030 2 304 33 33 GLU HG3 H 2.365 0.030 2 305 33 33 GLU C C 177.446 0.300 1 306 34 34 ASP N N 113.498 0.300 1 307 34 34 ASP H H 7.480 0.030 1 308 34 34 ASP CA C 54.511 0.300 1 309 34 34 ASP HA H 4.342 0.030 1 310 34 34 ASP CB C 40.374 0.300 1 311 34 34 ASP HB2 H 2.876 0.030 2 312 34 34 ASP HB3 H 2.683 0.030 2 313 34 34 ASP C C 175.854 0.300 1 314 35 35 CYS N N 111.837 0.300 1 315 35 35 CYS H H 8.327 0.030 1 316 35 35 CYS CA C 61.093 0.300 1 317 35 35 CYS HA H 3.772 0.030 1 318 35 35 CYS CB C 25.679 0.300 1 319 35 35 CYS HB2 H 3.037 0.030 2 320 35 35 CYS HB3 H 2.782 0.030 2 321 35 35 CYS C C 173.370 0.300 1 322 36 36 ARG N N 117.440 0.300 1 323 36 36 ARG H H 7.473 0.030 1 324 36 36 ARG CA C 57.988 0.300 1 325 36 36 ARG HA H 3.981 0.030 1 326 36 36 ARG CB C 30.430 0.300 1 327 36 36 ARG HB2 H 1.708 0.030 2 328 36 36 ARG HB3 H 1.763 0.030 2 329 36 36 ARG CG C 27.558 0.300 1 330 36 36 ARG HG2 H 1.481 0.030 2 331 36 36 ARG HG3 H 1.561 0.030 2 332 36 36 ARG CD C 43.030 0.300 1 333 36 36 ARG HD2 H 3.156 0.030 1 334 36 36 ARG HD3 H 3.156 0.030 1 335 36 36 ARG C C 177.233 0.300 1 336 37 37 MET CA C 56.118 0.300 1 337 37 37 MET HA H 4.036 0.030 1 338 37 37 MET HB2 H 1.778 0.030 2 339 37 37 MET CG C 33.538 0.300 1 340 37 37 MET HG2 H 2.555 0.030 2 341 37 37 MET CE C 18.307 0.300 1 342 37 37 MET HE H 2.120 0.030 1 343 38 38 GLY H H 8.192 0.030 1 344 38 38 GLY CA C 45.670 0.300 1 345 38 38 GLY HA2 H 4.220 0.030 2 346 38 38 GLY HA3 H 3.595 0.030 2 347 38 38 GLY C C 173.799 0.300 1 348 39 39 ALA N N 122.002 0.300 1 349 39 39 ALA H H 7.697 0.030 1 350 39 39 ALA CA C 51.019 0.300 1 351 39 39 ALA HA H 4.678 0.030 1 352 39 39 ALA CB C 22.608 0.300 1 353 39 39 ALA HB H 1.401 0.030 1 354 39 39 ALA C C 176.769 0.300 1 355 40 40 GLY N N 107.149 0.300 1 356 40 40 GLY H H 8.731 0.030 1 357 40 40 GLY CA C 45.768 0.300 1 358 40 40 GLY HA2 H 3.957 0.030 2 359 40 40 GLY HA3 H 4.220 0.030 2 360 40 40 GLY C C 176.747 0.300 1 361 41 41 ILE CA C 63.397 0.300 1 362 41 41 ILE HA H 4.312 0.030 1 363 41 41 ILE CB C 38.794 0.300 1 364 41 41 ILE HB H 2.159 0.030 1 365 41 41 ILE CG1 C 30.346 0.300 1 366 41 41 ILE HG12 H 1.725 0.030 2 367 41 41 ILE HG13 H 1.967 0.030 2 368 41 41 ILE CG2 C 17.188 0.300 1 369 41 41 ILE HG2 H 1.250 0.030 1 370 41 41 ILE CD1 C 14.806 0.300 1 371 41 41 ILE HD1 H 1.083 0.030 1 372 41 41 ILE C C 177.249 0.300 1 373 42 42 ALA N N 124.835 0.300 1 374 42 42 ALA H H 8.629 0.030 1 375 42 42 ALA CA C 55.599 0.300 1 376 42 42 ALA HA H 4.377 0.030 1 377 42 42 ALA CB C 18.155 0.300 1 378 42 42 ALA HB H 1.778 0.030 1 379 42 42 ALA C C 179.079 0.300 1 380 43 43 VAL N N 116.015 0.300 1 381 43 43 VAL H H 7.363 0.030 1 382 43 43 VAL CA C 65.623 0.300 1 383 43 43 VAL HA H 3.822 0.030 1 384 43 43 VAL CB C 32.408 0.300 1 385 43 43 VAL HB H 1.957 0.030 1 386 43 43 VAL CG1 C 20.750 0.300 2 387 43 43 VAL HG1 H 0.972 0.030 1 388 43 43 VAL CG2 C 22.190 0.300 2 389 43 43 VAL HG2 H 0.977 0.030 1 390 43 43 VAL C C 178.285 0.300 1 391 44 44 LEU N N 119.736 0.300 1 392 44 44 LEU H H 7.357 0.030 1 393 44 44 LEU CA C 57.460 0.300 1 394 44 44 LEU HA H 3.968 0.030 1 395 44 44 LEU CB C 41.234 0.300 1 396 44 44 LEU HB2 H 2.059 0.030 2 397 44 44 LEU HB3 H 0.909 0.030 2 398 44 44 LEU CG C 27.837 0.300 1 399 44 44 LEU HG H 1.656 0.030 1 400 44 44 LEU CD1 C 25.454 0.300 2 401 44 44 LEU HD1 H 0.959 0.030 1 402 44 44 LEU CD2 C 23.011 0.300 2 403 44 44 LEU HD2 H 0.728 0.030 1 404 44 44 LEU C C 179.972 0.300 1 405 45 45 PHE N N 118.434 0.300 1 406 45 45 PHE H H 7.733 0.030 1 407 45 45 PHE CA C 63.151 0.300 1 408 45 45 PHE HA H 4.009 0.030 1 409 45 45 PHE CB C 39.883 0.300 1 410 45 45 PHE HB2 H 3.300 0.030 2 411 45 45 PHE HB3 H 2.920 0.030 2 412 45 45 PHE CD1 C 131.450 0.300 1 413 45 45 PHE HD1 H 7.040 0.030 1 414 45 45 PHE CD2 C 131.450 0.300 1 415 45 45 PHE HD2 H 7.040 0.030 1 416 45 45 PHE CE1 C 131.183 0.300 1 417 45 45 PHE HE1 H 6.795 0.030 1 418 45 45 PHE CE2 C 131.183 0.300 1 419 45 45 PHE HE2 H 6.795 0.030 1 420 45 45 PHE CZ C 128.512 0.300 1 421 45 45 PHE HZ H 6.803 0.030 1 422 45 45 PHE C C 180.448 0.300 1 423 46 46 LYS N N 124.749 0.300 1 424 46 46 LYS H H 8.819 0.030 1 425 46 46 LYS CA C 60.958 0.300 1 426 46 46 LYS HA H 4.160 0.030 1 427 46 46 LYS CB C 31.930 0.300 1 428 46 46 LYS HB2 H 2.280 0.030 1 429 46 46 LYS HB3 H 2.280 0.030 1 430 46 46 LYS CG C 25.083 0.300 1 431 46 46 LYS HG2 H 1.401 0.030 1 432 46 46 LYS HG3 H 1.401 0.030 1 433 46 46 LYS CD C 29.798 0.300 1 434 46 46 LYS HD2 H 1.939 0.030 1 435 46 46 LYS HD3 H 1.939 0.030 1 436 46 46 LYS CE C 42.076 0.300 1 437 46 46 LYS HE2 H 3.027 0.030 2 438 46 46 LYS HE3 H 3.186 0.030 2 439 46 46 LYS C C 179.139 0.300 1 440 47 47 LYS N N 119.317 0.300 1 441 47 47 LYS H H 8.154 0.030 1 442 47 47 LYS CA C 59.331 0.300 1 443 47 47 LYS HA H 3.939 0.030 1 444 47 47 LYS CB C 33.065 0.300 1 445 47 47 LYS HB2 H 1.745 0.030 2 446 47 47 LYS HB3 H 1.803 0.030 2 447 47 47 LYS CG C 25.154 0.300 1 448 47 47 LYS HG2 H 1.361 0.030 2 449 47 47 LYS HG3 H 1.538 0.030 2 450 47 47 LYS CD C 29.257 0.300 1 451 47 47 LYS HD2 H 1.582 0.030 1 452 47 47 LYS HD3 H 1.582 0.030 1 453 47 47 LYS CE C 41.993 0.300 1 454 47 47 LYS HE2 H 2.879 0.030 1 455 47 47 LYS HE3 H 2.879 0.030 1 456 47 47 LYS C C 178.108 0.300 1 457 48 48 LYS N N 116.005 0.300 1 458 48 48 LYS H H 7.976 0.030 1 459 48 48 LYS CA C 58.650 0.300 1 460 48 48 LYS HA H 3.684 0.030 1 461 48 48 LYS CB C 32.372 0.300 1 462 48 48 LYS HB2 H 0.740 0.030 2 463 48 48 LYS HB3 H 0.436 0.030 2 464 48 48 LYS CG C 24.863 0.300 1 465 48 48 LYS HG2 H 0.571 0.030 2 466 48 48 LYS HG3 H 0.490 0.030 2 467 48 48 LYS CD C 28.372 0.300 1 468 48 48 LYS HD2 H 0.694 0.030 2 469 48 48 LYS HD3 H 0.473 0.030 2 470 48 48 LYS CE C 41.626 0.300 1 471 48 48 LYS HE2 H 2.113 0.030 2 472 48 48 LYS HE3 H 2.226 0.030 2 473 48 48 LYS C C 178.213 0.300 1 474 49 49 PHE N N 112.629 0.300 1 475 49 49 PHE H H 7.658 0.030 1 476 49 49 PHE CA C 56.958 0.300 1 477 49 49 PHE HA H 5.028 0.030 1 478 49 49 PHE CB C 40.496 0.300 1 479 49 49 PHE HB2 H 3.222 0.030 2 480 49 49 PHE HB3 H 3.060 0.030 2 481 49 49 PHE CD1 C 131.792 0.300 1 482 49 49 PHE HD1 H 7.342 0.030 1 483 49 49 PHE CD2 C 131.792 0.300 1 484 49 49 PHE HD2 H 7.342 0.030 1 485 49 49 PHE CE1 C 131.077 0.300 1 486 49 49 PHE HE1 H 7.074 0.030 1 487 49 49 PHE CE2 C 131.077 0.300 1 488 49 49 PHE HE2 H 7.074 0.030 1 489 49 49 PHE CZ C 129.721 0.300 1 490 49 49 PHE HZ H 7.022 0.030 1 491 49 49 PHE C C 176.188 0.300 1 492 50 50 GLY N N 108.499 0.300 1 493 50 50 GLY H H 7.821 0.030 1 494 50 50 GLY CA C 46.579 0.300 1 495 50 50 GLY HA2 H 3.953 0.030 1 496 50 50 GLY HA3 H 3.953 0.030 1 497 50 50 GLY C C 174.288 0.300 1 498 51 51 GLY N N 108.968 0.300 1 499 51 51 GLY H H 8.600 0.030 1 500 51 51 GLY CA C 46.597 0.300 1 501 51 51 GLY HA2 H 3.943 0.030 2 502 51 51 GLY HA3 H 4.047 0.030 2 503 51 51 GLY C C 174.522 0.300 1 504 52 52 VAL N N 118.929 0.300 1 505 52 52 VAL H H 7.980 0.030 1 506 52 52 VAL CA C 68.080 0.300 1 507 52 52 VAL HA H 3.334 0.030 1 508 52 52 VAL CB C 31.150 0.300 1 509 52 52 VAL HB H 2.004 0.030 1 510 52 52 VAL CG1 C 21.138 0.300 2 511 52 52 VAL HG1 H 0.935 0.030 1 512 52 52 VAL CG2 C 23.150 0.300 2 513 52 52 VAL HG2 H 0.994 0.030 1 514 52 52 VAL C C 177.566 0.300 1 515 53 53 GLN N N 116.880 0.300 1 516 53 53 GLN H H 8.513 0.030 1 517 53 53 GLN CA C 58.730 0.300 1 518 53 53 GLN HA H 3.946 0.030 1 519 53 53 GLN CB C 28.098 0.300 1 520 53 53 GLN HB2 H 2.038 0.030 2 521 53 53 GLN HB3 H 2.096 0.030 2 522 53 53 GLN CG C 34.108 0.300 1 523 53 53 GLN HG2 H 2.393 0.030 1 524 53 53 GLN HG3 H 2.393 0.030 1 525 53 53 GLN NE2 N 114.850 0.300 1 526 53 53 GLN HE21 H 7.023 0.030 2 527 53 53 GLN HE22 H 7.509 0.030 2 528 53 53 GLN C C 177.916 0.300 1 529 54 54 GLU N N 119.584 0.300 1 530 54 54 GLU H H 7.525 0.030 1 531 54 54 GLU CA C 59.754 0.300 1 532 54 54 GLU HA H 3.980 0.030 1 533 54 54 GLU CB C 29.509 0.300 1 534 54 54 GLU HB2 H 2.010 0.030 2 535 54 54 GLU HB3 H 2.196 0.030 2 536 54 54 GLU CG C 37.272 0.300 1 537 54 54 GLU HG2 H 2.245 0.030 2 538 54 54 GLU HG3 H 2.331 0.030 2 539 54 54 GLU C C 180.168 0.300 1 540 55 55 LEU N N 121.130 0.300 1 541 55 55 LEU H H 8.437 0.030 1 542 55 55 LEU CA C 58.005 0.300 1 543 55 55 LEU HA H 3.870 0.030 1 544 55 55 LEU CB C 42.588 0.300 1 545 55 55 LEU HB2 H 2.035 0.030 2 546 55 55 LEU HB3 H 1.048 0.030 2 547 55 55 LEU CG C 25.486 0.300 1 548 55 55 LEU HG H 1.483 0.030 1 549 55 55 LEU CD1 C 25.578 0.300 2 550 55 55 LEU HD1 H 0.073 0.030 1 551 55 55 LEU CD2 C 23.100 0.300 2 552 55 55 LEU HD2 H -0.005 0.030 1 553 55 55 LEU C C 180.835 0.300 1 554 56 56 LEU N N 123.508 0.300 1 555 56 56 LEU H H 8.664 0.030 1 556 56 56 LEU CA C 58.397 0.300 1 557 56 56 LEU HA H 3.972 0.030 1 558 56 56 LEU CB C 42.087 0.300 1 559 56 56 LEU HB2 H 1.419 0.030 2 560 56 56 LEU HB3 H 1.898 0.030 2 561 56 56 LEU CG C 26.970 0.300 1 562 56 56 LEU HG H 1.722 0.030 1 563 56 56 LEU CD1 C 25.916 0.300 2 564 56 56 LEU HD1 H 0.821 0.030 1 565 56 56 LEU CD2 C 22.942 0.300 2 566 56 56 LEU HD2 H 0.897 0.030 1 567 56 56 LEU C C 181.257 0.300 1 568 57 57 ASN N N 116.946 0.300 1 569 57 57 ASN H H 8.334 0.030 1 570 57 57 ASN CA C 54.627 0.300 1 571 57 57 ASN HA H 4.566 0.030 1 572 57 57 ASN CB C 38.170 0.300 1 573 57 57 ASN HB2 H 2.937 0.030 1 574 57 57 ASN HB3 H 2.937 0.030 1 575 57 57 ASN ND2 N 110.877 0.300 1 576 57 57 ASN HD21 H 7.668 0.030 2 577 57 57 ASN HD22 H 6.989 0.030 2 578 57 57 ASN C C 176.756 0.300 1 579 58 58 GLN N N 118.214 0.300 1 580 58 58 GLN H H 7.670 0.030 1 581 58 58 GLN CA C 58.022 0.300 1 582 58 58 GLN HA H 4.184 0.030 1 583 58 58 GLN CB C 28.460 0.300 1 584 58 58 GLN HB2 H 2.283 0.030 2 585 58 58 GLN HB3 H 2.141 0.030 2 586 58 58 GLN CG C 34.968 0.300 1 587 58 58 GLN HG2 H 2.470 0.030 2 588 58 58 GLN HG3 H 2.953 0.030 2 589 58 58 GLN NE2 N 111.013 0.300 1 590 58 58 GLN HE21 H 6.719 0.030 2 591 58 58 GLN HE22 H 7.663 0.030 2 592 58 58 GLN C C 175.792 0.300 1 593 59 59 GLN N N 114.113 0.300 1 594 59 59 GLN H H 7.825 0.030 1 595 59 59 GLN CA C 56.584 0.300 1 596 59 59 GLN HA H 4.015 0.030 1 597 59 59 GLN CB C 26.829 0.300 1 598 59 59 GLN HB2 H 2.088 0.030 2 599 59 59 GLN HB3 H 2.213 0.030 2 600 59 59 GLN CG C 34.139 0.300 1 601 59 59 GLN HG2 H 2.306 0.030 2 602 59 59 GLN HG3 H 2.347 0.030 2 603 59 59 GLN NE2 N 112.095 0.300 1 604 59 59 GLN HE21 H 6.813 0.030 2 605 59 59 GLN HE22 H 7.462 0.030 2 606 59 59 GLN C C 175.049 0.300 1 607 60 60 LYS N N 118.472 0.300 1 608 60 60 LYS H H 9.134 0.030 1 609 60 60 LYS CA C 54.005 0.300 1 610 60 60 LYS HA H 4.458 0.030 1 611 60 60 LYS CB C 32.573 0.300 1 612 60 60 LYS HB2 H 1.937 0.030 2 613 60 60 LYS HB3 H 1.548 0.030 2 614 60 60 LYS CG C 23.906 0.300 1 615 60 60 LYS HG2 H 1.370 0.030 2 616 60 60 LYS HG3 H 1.314 0.030 2 617 60 60 LYS CD C 27.826 0.300 1 618 60 60 LYS HD2 H 1.582 0.030 2 619 60 60 LYS HD3 H 1.725 0.030 2 620 60 60 LYS CE C 42.590 0.300 1 621 60 60 LYS HE2 H 3.102 0.030 2 622 60 60 LYS HE3 H 3.314 0.030 2 623 60 60 LYS C C 176.936 0.300 1 624 61 61 LYS N N 121.877 0.300 1 625 61 61 LYS H H 9.069 0.030 1 626 61 61 LYS CA C 53.421 0.300 1 627 61 61 LYS HA H 4.517 0.030 1 628 61 61 LYS CB C 35.816 0.300 1 629 61 61 LYS HB2 H 1.815 0.030 2 630 61 61 LYS HB3 H 1.589 0.030 2 631 61 61 LYS CG C 24.560 0.300 1 632 61 61 LYS HG2 H 1.390 0.030 1 633 61 61 LYS HG3 H 1.390 0.030 1 634 61 61 LYS CD C 28.638 0.300 1 635 61 61 LYS HD2 H 1.585 0.030 1 636 61 61 LYS HD3 H 1.585 0.030 1 637 61 61 LYS CE C 42.217 0.300 1 638 61 61 LYS HE2 H 2.978 0.030 1 639 61 61 LYS HE3 H 2.978 0.030 1 640 61 61 LYS C C 175.049 0.300 1 641 62 62 SER N N 114.153 0.300 1 642 62 62 SER H H 8.524 0.030 1 643 62 62 SER CA C 60.959 0.300 1 644 62 62 SER HA H 3.954 0.030 1 645 62 62 SER CB C 64.374 0.300 1 646 62 62 SER HB2 H 3.616 0.030 2 647 62 62 SER HB3 H 3.325 0.030 2 648 62 62 SER C C 175.660 0.300 1 649 63 63 GLY N N 111.615 0.300 1 650 63 63 GLY H H 9.308 0.030 1 651 63 63 GLY CA C 44.971 0.300 1 652 63 63 GLY HA2 H 4.188 0.030 1 653 63 63 GLY HA3 H 4.188 0.030 1 654 63 63 GLY C C 172.420 0.300 1 655 64 64 GLU N N 117.287 0.300 1 656 64 64 GLU H H 7.909 0.030 1 657 64 64 GLU CA C 53.972 0.300 1 658 64 64 GLU HA H 4.549 0.030 1 659 64 64 GLU CB C 32.449 0.300 1 660 64 64 GLU HB2 H 2.550 0.030 2 661 64 64 GLU HB3 H 2.263 0.030 2 662 64 64 GLU CG C 37.475 0.300 1 663 64 64 GLU HG2 H 2.021 0.030 1 664 64 64 GLU HG3 H 2.021 0.030 1 665 64 64 GLU C C 174.611 0.300 1 666 65 65 VAL N N 118.093 0.300 1 667 65 65 VAL H H 8.337 0.030 1 668 65 65 VAL CA C 59.380 0.300 1 669 65 65 VAL HA H 5.149 0.030 1 670 65 65 VAL CB C 35.892 0.300 1 671 65 65 VAL HB H 1.951 0.030 1 672 65 65 VAL CG1 C 20.247 0.300 2 673 65 65 VAL HG1 H 0.813 0.030 1 674 65 65 VAL CG2 C 24.630 0.300 2 675 65 65 VAL HG2 H 1.082 0.030 1 676 65 65 VAL C C 172.013 0.300 1 677 66 66 ALA N N 130.790 0.300 1 678 66 66 ALA H H 8.876 0.030 1 679 66 66 ALA CA C 50.170 0.300 1 680 66 66 ALA HA H 4.879 0.030 1 681 66 66 ALA CB C 21.291 0.300 1 682 66 66 ALA HB H 1.261 0.030 1 683 66 66 ALA C C 175.997 0.300 1 684 67 67 VAL N N 119.453 0.300 1 685 67 67 VAL H H 8.615 0.030 1 686 67 67 VAL CA C 61.078 0.300 1 687 67 67 VAL HA H 5.255 0.030 1 688 67 67 VAL CB C 36.283 0.300 1 689 67 67 VAL HB H 1.678 0.030 1 690 67 67 VAL CG1 C 21.685 0.300 2 691 67 67 VAL HG1 H 0.513 0.030 1 692 67 67 VAL CG2 C 21.685 0.300 2 693 67 67 VAL HG2 H 0.535 0.030 1 694 67 67 VAL C C 176.213 0.300 1 695 68 68 LEU N N 126.404 0.300 1 696 68 68 LEU H H 9.013 0.030 1 697 68 68 LEU CA C 53.424 0.300 1 698 68 68 LEU HA H 4.809 0.030 1 699 68 68 LEU CB C 46.473 0.300 1 700 68 68 LEU HB2 H 1.670 0.030 2 701 68 68 LEU HB3 H 1.269 0.030 2 702 68 68 LEU CG C 26.974 0.300 1 703 68 68 LEU HG H 1.493 0.030 1 704 68 68 LEU CD1 C 22.929 0.300 2 705 68 68 LEU HD1 H 0.837 0.030 1 706 68 68 LEU CD2 C 25.739 0.300 2 707 68 68 LEU HD2 H 0.877 0.030 1 708 68 68 LEU C C 174.704 0.300 1 709 69 69 LYS N N 123.462 0.300 1 710 69 69 LYS H H 8.756 0.030 1 711 69 69 LYS CA C 55.228 0.300 1 712 69 69 LYS HA H 4.791 0.030 1 713 69 69 LYS CB C 33.820 0.300 1 714 69 69 LYS HB2 H 1.812 0.030 2 715 69 69 LYS HB3 H 1.526 0.030 2 716 69 69 LYS CG C 25.086 0.300 1 717 69 69 LYS HG2 H 0.994 0.030 2 718 69 69 LYS HG3 H 0.551 0.030 2 719 69 69 LYS CD C 29.459 0.300 1 720 69 69 LYS HD2 H 1.470 0.030 2 721 69 69 LYS HD3 H 1.509 0.030 2 722 69 69 LYS CE C 42.086 0.300 1 723 69 69 LYS HE2 H 2.526 0.030 2 724 69 69 LYS HE3 H 2.664 0.030 2 725 69 69 LYS C C 177.387 0.300 1 726 70 70 ARG N N 127.852 0.300 1 727 70 70 ARG H H 8.688 0.030 1 728 70 70 ARG CA C 52.929 0.300 1 729 70 70 ARG CB C 34.028 0.300 1 730 70 70 ARG HB2 H 1.748 0.030 2 731 70 70 ARG HB3 H 1.408 0.030 2 732 70 70 ARG CD C 43.274 0.300 1 733 70 70 ARG HD2 H 3.692 0.030 2 734 70 70 ARG HD3 H 3.428 0.030 2 735 70 70 ARG NE N 84.861 0.300 1 736 70 70 ARG HE H 7.738 0.030 1 737 70 70 ARG C C 175.460 0.300 1 738 71 71 ASP CA C 55.193 0.300 1 739 71 71 ASP HA H 4.268 0.030 1 740 71 71 ASP CB C 40.326 0.300 1 741 71 71 ASP HB2 H 2.877 0.030 2 742 71 71 ASP HB3 H 2.688 0.030 2 743 71 71 ASP C C 175.970 0.300 1 744 72 72 GLY N N 104.319 0.300 1 745 72 72 GLY H H 8.642 0.030 1 746 72 72 GLY CA C 45.692 0.300 1 747 72 72 GLY HA2 H 4.062 0.030 2 748 72 72 GLY HA3 H 3.516 0.030 2 749 72 72 GLY C C 172.604 0.300 1 750 73 73 ARG N N 118.257 0.300 1 751 73 73 ARG H H 7.794 0.030 1 752 73 73 ARG CA C 52.893 0.300 1 753 73 73 ARG HA H 4.560 0.030 1 754 73 73 ARG CB C 31.831 0.300 1 755 73 73 ARG HB2 H 1.870 0.030 2 756 73 73 ARG HB3 H 1.824 0.030 2 757 73 73 ARG CG C 25.516 0.300 1 758 73 73 ARG HG2 H 1.529 0.030 2 759 73 73 ARG HG3 H 1.822 0.030 2 760 73 73 ARG CD C 43.968 0.300 1 761 73 73 ARG HD2 H 3.044 0.030 1 762 73 73 ARG HD3 H 3.044 0.030 1 763 73 73 ARG NE N 85.751 0.300 1 764 73 73 ARG HE H 6.695 0.030 1 765 73 73 ARG C C 173.057 0.300 1 766 74 74 TYR N N 117.830 0.300 1 767 74 74 TYR H H 8.366 0.030 1 768 74 74 TYR CA C 57.987 0.300 1 769 74 74 TYR HA H 5.005 0.030 1 770 74 74 TYR CB C 40.473 0.300 1 771 74 74 TYR HB2 H 2.616 0.030 2 772 74 74 TYR HB3 H 1.978 0.030 2 773 74 74 TYR CD1 C 133.694 0.300 1 774 74 74 TYR HD1 H 6.985 0.030 1 775 74 74 TYR CD2 C 133.694 0.300 1 776 74 74 TYR HD2 H 6.985 0.030 1 777 74 74 TYR CE1 C 117.208 0.300 1 778 74 74 TYR HE1 H 6.818 0.030 1 779 74 74 TYR CE2 C 117.208 0.300 1 780 74 74 TYR HE2 H 6.818 0.030 1 781 74 74 TYR C C 173.530 0.300 1 782 75 75 ILE N N 120.880 0.300 1 783 75 75 ILE H H 8.923 0.030 1 784 75 75 ILE CA C 59.632 0.300 1 785 75 75 ILE HA H 4.398 0.030 1 786 75 75 ILE CB C 37.608 0.300 1 787 75 75 ILE HB H 1.943 0.030 1 788 75 75 ILE CG1 C 27.537 0.300 1 789 75 75 ILE HG12 H 0.731 0.030 2 790 75 75 ILE HG13 H 0.547 0.030 2 791 75 75 ILE CG2 C 18.906 0.300 1 792 75 75 ILE HG2 H 0.601 0.030 1 793 75 75 ILE CD1 C 12.481 0.300 1 794 75 75 ILE HD1 H 0.056 0.030 1 795 75 75 ILE C C 174.203 0.300 1 796 76 76 TYR N N 125.586 0.300 1 797 76 76 TYR H H 9.540 0.030 1 798 76 76 TYR CA C 59.137 0.300 1 799 76 76 TYR HA H 4.630 0.030 1 800 76 76 TYR CB C 39.909 0.300 1 801 76 76 TYR HB2 H 3.047 0.030 2 802 76 76 TYR HB3 H 2.652 0.030 2 803 76 76 TYR CD1 C 132.982 0.300 1 804 76 76 TYR HD1 H 6.853 0.030 1 805 76 76 TYR CD2 C 132.982 0.300 1 806 76 76 TYR HD2 H 6.853 0.030 1 807 76 76 TYR CE1 C 117.297 0.300 1 808 76 76 TYR HE1 H 6.278 0.030 1 809 76 76 TYR CE2 C 117.297 0.300 1 810 76 76 TYR HE2 H 6.278 0.030 1 811 76 76 TYR C C 174.280 0.300 1 812 77 77 TYR N N 123.524 0.300 1 813 77 77 TYR H H 9.221 0.030 1 814 77 77 TYR CA C 55.476 0.300 1 815 77 77 TYR HA H 4.155 0.030 1 816 77 77 TYR CB C 35.926 0.300 1 817 77 77 TYR HB2 H 3.012 0.030 2 818 77 77 TYR HB3 H 2.244 0.030 2 819 77 77 TYR CD1 C 134.110 0.300 1 820 77 77 TYR HD1 H 7.081 0.030 1 821 77 77 TYR CD2 C 134.110 0.300 1 822 77 77 TYR HD2 H 7.081 0.030 1 823 77 77 TYR CE1 C 119.335 0.300 1 824 77 77 TYR HE1 H 6.736 0.030 1 825 77 77 TYR CE2 C 119.335 0.300 1 826 77 77 TYR HE2 H 6.736 0.030 1 827 77 77 TYR C C 174.236 0.300 1 828 78 78 LEU N N 123.875 0.300 1 829 78 78 LEU H H 8.948 0.030 1 830 78 78 LEU CA C 55.635 0.300 1 831 78 78 LEU HA H 4.134 0.030 1 832 78 78 LEU CB C 40.856 0.300 1 833 78 78 LEU HB2 H 1.992 0.030 2 834 78 78 LEU HB3 H 1.299 0.030 2 835 78 78 LEU CG C 27.458 0.300 1 836 78 78 LEU HG H 1.638 0.030 1 837 78 78 LEU CD1 C 26.387 0.300 2 838 78 78 LEU HD1 H 0.744 0.030 1 839 78 78 LEU CD2 C 24.481 0.300 2 840 78 78 LEU HD2 H 0.796 0.030 1 841 78 78 LEU C C 175.294 0.300 1 842 79 79 ILE N N 127.986 0.300 1 843 79 79 ILE H H 8.322 0.030 1 844 79 79 ILE CA C 59.349 0.300 1 845 79 79 ILE HA H 4.372 0.030 1 846 79 79 ILE CB C 34.277 0.300 1 847 79 79 ILE HB H 2.104 0.030 1 848 79 79 ILE CG1 C 26.324 0.300 1 849 79 79 ILE HG12 H 1.108 0.030 2 850 79 79 ILE HG13 H 1.267 0.030 2 851 79 79 ILE CG2 C 19.213 0.300 1 852 79 79 ILE HG2 H 0.554 0.030 1 853 79 79 ILE CD1 C 11.920 0.300 1 854 79 79 ILE HD1 H 0.490 0.030 1 855 79 79 ILE C C 176.505 0.300 1 856 80 80 THR N N 113.978 0.300 1 857 80 80 THR H H 8.276 0.030 1 858 80 80 THR CA C 61.646 0.300 1 859 80 80 THR HA H 4.334 0.030 1 860 80 80 THR CB C 69.165 0.300 1 861 80 80 THR HB H 4.419 0.030 1 862 80 80 THR CG2 C 23.955 0.300 1 863 80 80 THR HG2 H 1.137 0.030 1 864 80 80 THR C C 172.999 0.300 1 865 81 81 LYS N N 114.856 0.300 1 866 81 81 LYS H H 7.512 0.030 1 867 81 81 LYS CA C 54.894 0.300 1 868 81 81 LYS HA H 4.649 0.030 1 869 81 81 LYS CB C 34.139 0.300 1 870 81 81 LYS HB2 H 1.803 0.030 1 871 81 81 LYS HB3 H 1.803 0.030 1 872 81 81 LYS CG C 22.247 0.300 1 873 81 81 LYS HG2 H 1.174 0.030 2 874 81 81 LYS HG3 H 0.918 0.030 2 875 81 81 LYS CE C 42.307 0.300 1 876 81 81 LYS HE2 H 2.979 0.030 2 877 81 81 LYS HE3 H 3.042 0.030 2 878 81 81 LYS C C 175.344 0.300 1 879 82 82 LYS N N 121.209 0.300 1 880 82 82 LYS H H 9.577 0.030 1 881 82 82 LYS CA C 60.198 0.300 1 882 82 82 LYS HA H 3.884 0.030 1 883 82 82 LYS CB C 33.603 0.300 1 884 82 82 LYS HB2 H 1.912 0.030 1 885 82 82 LYS HB3 H 1.912 0.030 1 886 82 82 LYS CG C 25.264 0.300 1 887 82 82 LYS HG2 H 1.392 0.030 2 888 82 82 LYS HG3 H 1.543 0.030 2 889 82 82 LYS CD C 29.485 0.300 1 890 82 82 LYS HD2 H 1.753 0.030 1 891 82 82 LYS HD3 H 1.753 0.030 1 892 82 82 LYS CE C 41.970 0.300 1 893 82 82 LYS HE2 H 3.032 0.030 1 894 82 82 LYS HE3 H 3.032 0.030 1 895 82 82 LYS C C 176.049 0.300 1 896 83 83 ARG N N 112.456 0.300 1 897 83 83 ARG H H 6.717 0.030 1 898 83 83 ARG CA C 52.451 0.300 1 899 83 83 ARG HA H 4.691 0.030 1 900 83 83 ARG CB C 32.857 0.300 1 901 83 83 ARG HB2 H 1.706 0.030 2 902 83 83 ARG HB3 H 0.353 0.030 2 903 83 83 ARG CG C 27.148 0.300 1 904 83 83 ARG HG2 H 1.181 0.030 2 905 83 83 ARG HG3 H 1.365 0.030 2 906 83 83 ARG CD C 43.046 0.300 1 907 83 83 ARG HD2 H 3.071 0.030 2 908 83 83 ARG HD3 H 3.190 0.030 2 909 83 83 ARG C C 177.299 0.300 1 910 84 84 ALA N N 124.857 0.300 1 911 84 84 ALA H H 9.290 0.030 1 912 84 84 ALA CA C 56.005 0.300 1 913 84 84 ALA HA H 3.895 0.030 1 914 84 84 ALA CB C 19.175 0.300 1 915 84 84 ALA HB H 1.512 0.030 1 916 84 84 ALA C C 178.350 0.300 1 917 85 85 SER CA C 58.631 0.300 1 918 85 85 SER HA H 4.338 0.030 1 919 85 85 SER CB C 63.277 0.300 1 920 85 85 SER HB2 H 3.850 0.030 2 921 85 85 SER HB3 H 4.110 0.030 2 922 85 85 SER C C 175.469 0.300 1 923 86 86 HIS N N 121.978 0.300 1 924 86 86 HIS H H 7.560 0.030 1 925 86 86 HIS CA C 54.468 0.300 1 926 86 86 HIS HA H 4.766 0.030 1 927 86 86 HIS CB C 33.069 0.300 1 928 86 86 HIS HB2 H 3.295 0.030 2 929 86 86 HIS HB3 H 3.165 0.030 2 930 86 86 HIS CD2 C 116.041 0.300 1 931 86 86 HIS HD2 H 6.925 0.030 1 932 86 86 HIS CE1 C 138.576 0.300 1 933 86 86 HIS HE1 H 7.762 0.030 1 934 86 86 HIS C C 174.466 0.300 1 935 87 87 LYS N N 122.014 0.300 1 936 87 87 LYS H H 8.693 0.030 1 937 87 87 LYS CA C 53.283 0.300 1 938 87 87 LYS HA H 4.792 0.030 1 939 87 87 LYS CB C 32.803 0.300 1 940 87 87 LYS HB2 H 1.714 0.030 2 941 87 87 LYS HB3 H 1.934 0.030 2 942 87 87 LYS HG2 H 0.918 0.030 2 943 87 87 LYS CD C 30.157 0.300 1 944 87 87 LYS HD2 H 1.234 0.030 2 945 87 87 LYS HD3 H 1.512 0.030 2 946 87 87 LYS CE C 42.372 0.300 1 947 87 87 LYS HE2 H 2.840 0.030 2 948 87 87 LYS HE3 H 2.894 0.030 2 949 87 87 LYS C C 175.072 0.300 1 950 88 88 PRO CA C 62.515 0.300 1 951 88 88 PRO HA H 4.796 0.030 1 952 88 88 PRO CB C 32.687 0.300 1 953 88 88 PRO HB2 H 2.199 0.030 2 954 88 88 PRO HB3 H 1.830 0.030 2 955 88 88 PRO CG C 26.862 0.300 1 956 88 88 PRO HG2 H 2.025 0.030 2 957 88 88 PRO HG3 H 1.902 0.030 2 958 88 88 PRO CD C 50.446 0.300 1 959 88 88 PRO HD2 H 4.126 0.030 2 960 88 88 PRO HD3 H 3.610 0.030 2 961 88 88 PRO C C 175.319 0.300 1 962 89 89 THR N N 107.501 0.300 1 963 89 89 THR H H 7.933 0.030 1 964 89 89 THR CA C 58.518 0.300 1 965 89 89 THR HA H 4.758 0.030 1 966 89 89 THR CB C 70.861 0.300 1 967 89 89 THR HB H 4.750 0.030 1 968 89 89 THR CG2 C 22.089 0.300 1 969 89 89 THR HG2 H 1.323 0.030 1 970 89 89 THR C C 175.662 0.300 1 971 90 90 TYR N N 120.845 0.300 1 972 90 90 TYR H H 8.751 0.030 1 973 90 90 TYR CA C 63.195 0.300 1 974 90 90 TYR HA H 4.064 0.030 1 975 90 90 TYR CB C 37.372 0.300 1 976 90 90 TYR HB2 H 3.108 0.030 2 977 90 90 TYR HB3 H 2.854 0.030 2 978 90 90 TYR CD1 C 132.869 0.300 1 979 90 90 TYR HD1 H 7.237 0.030 1 980 90 90 TYR CD2 C 132.869 0.300 1 981 90 90 TYR HD2 H 7.237 0.030 1 982 90 90 TYR CE1 C 118.953 0.300 1 983 90 90 TYR HE1 H 6.866 0.030 1 984 90 90 TYR CE2 C 118.953 0.300 1 985 90 90 TYR HE2 H 6.866 0.030 1 986 90 90 TYR C C 178.063 0.300 1 987 91 91 GLU N N 118.210 0.300 1 988 91 91 GLU H H 8.857 0.030 1 989 91 91 GLU CA C 60.312 0.300 1 990 91 91 GLU HA H 4.114 0.030 1 991 91 91 GLU CB C 29.276 0.300 1 992 91 91 GLU HB2 H 2.121 0.030 2 993 91 91 GLU HB3 H 1.898 0.030 2 994 91 91 GLU CG C 36.941 0.300 1 995 91 91 GLU HG2 H 2.309 0.030 1 996 91 91 GLU HG3 H 2.309 0.030 1 997 91 91 GLU C C 178.970 0.300 1 998 92 92 ASN N N 117.220 0.300 1 999 92 92 ASN H H 7.894 0.030 1 1000 92 92 ASN CA C 55.334 0.300 1 1001 92 92 ASN HA H 4.696 0.030 1 1002 92 92 ASN CB C 37.704 0.300 1 1003 92 92 ASN HB2 H 2.975 0.030 2 1004 92 92 ASN HB3 H 2.314 0.030 2 1005 92 92 ASN ND2 N 112.389 0.300 1 1006 92 92 ASN HD21 H 8.217 0.030 2 1007 92 92 ASN HD22 H 6.938 0.030 2 1008 92 92 ASN C C 178.155 0.300 1 1009 93 93 LEU N N 121.622 0.300 1 1010 93 93 LEU H H 8.038 0.030 1 1011 93 93 LEU CA C 58.495 0.300 1 1012 93 93 LEU HA H 4.092 0.030 1 1013 93 93 LEU CB C 41.383 0.300 1 1014 93 93 LEU HB2 H 2.113 0.030 2 1015 93 93 LEU HB3 H 1.322 0.030 2 1016 93 93 LEU CG C 27.333 0.300 1 1017 93 93 LEU HG H 1.640 0.030 1 1018 93 93 LEU CD1 C 23.775 0.300 2 1019 93 93 LEU HD1 H 0.851 0.030 1 1020 93 93 LEU CD2 C 27.865 0.300 2 1021 93 93 LEU HD2 H 0.936 0.030 1 1022 93 93 LEU C C 177.808 0.300 1 1023 94 94 GLN N N 120.352 0.300 1 1024 94 94 GLN H H 8.792 0.030 1 1025 94 94 GLN CA C 61.099 0.300 1 1026 94 94 GLN HA H 3.721 0.030 1 1027 94 94 GLN CB C 27.560 0.300 1 1028 94 94 GLN HB2 H 2.130 0.030 2 1029 94 94 GLN HB3 H 2.442 0.030 2 1030 94 94 GLN CG C 33.298 0.300 1 1031 94 94 GLN HG2 H 2.315 0.030 2 1032 94 94 GLN HG3 H 2.079 0.030 2 1033 94 94 GLN NE2 N 111.030 0.300 1 1034 94 94 GLN HE21 H 7.477 0.030 2 1035 94 94 GLN HE22 H 6.687 0.030 2 1036 94 94 GLN C C 178.042 0.300 1 1037 95 95 LYS N N 117.824 0.300 1 1038 95 95 LYS H H 7.803 0.030 1 1039 95 95 LYS CA C 60.222 0.300 1 1040 95 95 LYS HA H 4.012 0.030 1 1041 95 95 LYS CB C 33.168 0.300 1 1042 95 95 LYS HB2 H 2.300 0.030 2 1043 95 95 LYS HB3 H 1.929 0.030 2 1044 95 95 LYS CG C 26.248 0.300 1 1045 95 95 LYS HG2 H 1.559 0.030 2 1046 95 95 LYS HG3 H 1.790 0.030 2 1047 95 95 LYS CD C 29.646 0.300 1 1048 95 95 LYS HD2 H 1.766 0.030 1 1049 95 95 LYS HD3 H 1.766 0.030 1 1050 95 95 LYS CE C 42.217 0.300 1 1051 95 95 LYS HE2 H 3.000 0.030 1 1052 95 95 LYS HE3 H 3.000 0.030 1 1053 95 95 LYS C C 179.868 0.300 1 1054 96 96 SER N N 118.301 0.300 1 1055 96 96 SER H H 8.251 0.030 1 1056 96 96 SER CA C 63.668 0.300 1 1057 96 96 SER HA H 3.710 0.030 1 1058 96 96 SER CB C 62.882 0.300 1 1059 96 96 SER HB2 H 3.690 0.030 1 1060 96 96 SER HB3 H 3.690 0.030 1 1061 96 96 SER C C 176.400 0.300 1 1062 97 97 LEU N N 122.701 0.300 1 1063 97 97 LEU H H 8.467 0.030 1 1064 97 97 LEU CA C 58.323 0.300 1 1065 97 97 LEU HA H 3.861 0.030 1 1066 97 97 LEU CB C 42.995 0.300 1 1067 97 97 LEU HB2 H 2.265 0.030 2 1068 97 97 LEU HB3 H 1.135 0.030 2 1069 97 97 LEU CG C 26.476 0.300 1 1070 97 97 LEU HG H 1.884 0.030 1 1071 97 97 LEU CD1 C 26.925 0.300 2 1072 97 97 LEU HD1 H 0.721 0.030 1 1073 97 97 LEU CD2 C 23.454 0.300 2 1074 97 97 LEU HD2 H 0.748 0.030 1 1075 97 97 LEU C C 178.941 0.300 1 1076 98 98 GLU N N 119.918 0.300 1 1077 98 98 GLU H H 8.410 0.030 1 1078 98 98 GLU CA C 59.561 0.300 1 1079 98 98 GLU HA H 3.622 0.030 1 1080 98 98 GLU CB C 29.142 0.300 1 1081 98 98 GLU HB2 H 1.988 0.030 2 1082 98 98 GLU HB3 H 2.204 0.030 2 1083 98 98 GLU CG C 36.567 0.300 1 1084 98 98 GLU HG2 H 2.431 0.030 2 1085 98 98 GLU HG3 H 2.211 0.030 2 1086 98 98 GLU C C 179.137 0.300 1 1087 99 99 ALA N N 124.193 0.300 1 1088 99 99 ALA H H 8.197 0.030 1 1089 99 99 ALA CA C 55.016 0.300 1 1090 99 99 ALA HA H 4.247 0.030 1 1091 99 99 ALA CB C 17.815 0.300 1 1092 99 99 ALA HB H 1.653 0.030 1 1093 99 99 ALA C C 181.133 0.300 1 1094 100 100 MET N N 122.009 0.300 1 1095 100 100 MET H H 8.482 0.030 1 1096 100 100 MET CA C 59.826 0.300 1 1097 100 100 MET HA H 3.714 0.030 1 1098 100 100 MET CB C 32.944 0.300 1 1099 100 100 MET HB2 H 1.577 0.030 2 1100 100 100 MET HB3 H 2.420 0.030 2 1101 100 100 MET CG C 29.904 0.300 1 1102 100 100 MET HG2 H 0.842 0.030 2 1103 100 100 MET HG3 H 1.766 0.030 2 1104 100 100 MET CE C 16.849 0.300 1 1105 100 100 MET HE H 1.762 0.030 1 1106 100 100 MET C C 176.658 0.300 1 1107 101 101 LYS N N 120.991 0.300 1 1108 101 101 LYS H H 8.721 0.030 1 1109 101 101 LYS CA C 60.563 0.300 1 1110 101 101 LYS HA H 3.614 0.030 1 1111 101 101 LYS CB C 30.759 0.300 1 1112 101 101 LYS HB2 H 1.030 0.030 2 1113 101 101 LYS HB3 H 1.691 0.030 2 1114 101 101 LYS CG C 23.667 0.300 1 1115 101 101 LYS HG2 H 0.928 0.030 2 1116 101 101 LYS HG3 H 1.018 0.030 2 1117 101 101 LYS CD C 29.387 0.300 1 1118 101 101 LYS HD2 H 1.195 0.030 2 1119 101 101 LYS HD3 H 1.370 0.030 2 1120 101 101 LYS CE C 41.860 0.300 1 1121 101 101 LYS HE2 H 2.672 0.030 2 1122 101 101 LYS HE3 H 2.733 0.030 2 1123 101 101 LYS C C 177.419 0.300 1 1124 102 102 SER N N 111.833 0.300 1 1125 102 102 SER H H 8.005 0.030 1 1126 102 102 SER CA C 61.993 0.300 1 1127 102 102 SER HA H 4.082 0.030 1 1128 102 102 SER CB C 62.863 0.300 1 1129 102 102 SER HB2 H 4.018 0.030 2 1130 102 102 SER HB3 H 3.967 0.030 2 1131 102 102 SER C C 176.601 0.300 1 1132 103 103 HIS N N 121.793 0.300 1 1133 103 103 HIS H H 7.605 0.030 1 1134 103 103 HIS CA C 62.090 0.300 1 1135 103 103 HIS HA H 4.000 0.030 1 1136 103 103 HIS CB C 30.652 0.300 1 1137 103 103 HIS HB2 H 3.349 0.030 2 1138 103 103 HIS HB3 H 3.164 0.030 2 1139 103 103 HIS CD2 C 118.511 0.300 1 1140 103 103 HIS HD2 H 7.142 0.030 1 1141 103 103 HIS CE1 C 137.891 0.300 1 1142 103 103 HIS HE1 H 5.725 0.030 1 1143 103 103 HIS C C 179.129 0.300 1 1144 104 104 CYS N N 119.421 0.300 1 1145 104 104 CYS H H 9.261 0.030 1 1146 104 104 CYS CA C 63.841 0.300 1 1147 104 104 CYS HA H 4.105 0.030 1 1148 104 104 CYS CB C 27.916 0.300 1 1149 104 104 CYS HB2 H 3.425 0.030 2 1150 104 104 CYS HB3 H 3.010 0.030 2 1151 104 104 CYS C C 178.176 0.300 1 1152 105 105 LEU N N 117.129 0.300 1 1153 105 105 LEU H H 8.331 0.030 1 1154 105 105 LEU CA C 57.262 0.300 1 1155 105 105 LEU HA H 4.245 0.030 1 1156 105 105 LEU CB C 42.030 0.300 1 1157 105 105 LEU HB2 H 1.888 0.030 2 1158 105 105 LEU HB3 H 1.509 0.030 2 1159 105 105 LEU CG C 26.885 0.300 1 1160 105 105 LEU HG H 1.900 0.030 1 1161 105 105 LEU CD1 C 22.945 0.300 2 1162 105 105 LEU HD1 H 0.987 0.030 1 1163 105 105 LEU CD2 C 26.111 0.300 2 1164 105 105 LEU HD2 H 0.884 0.030 1 1165 105 105 LEU C C 180.635 0.300 1 1166 106 106 LYS N N 118.583 0.300 1 1167 106 106 LYS H H 7.638 0.030 1 1168 106 106 LYS CA C 58.075 0.300 1 1169 106 106 LYS HA H 4.140 0.030 1 1170 106 106 LYS CB C 33.191 0.300 1 1171 106 106 LYS HB2 H 1.743 0.030 1 1172 106 106 LYS HB3 H 1.743 0.030 1 1173 106 106 LYS CG C 25.170 0.300 1 1174 106 106 LYS HG2 H 1.386 0.030 2 1175 106 106 LYS HG3 H 1.488 0.030 2 1176 106 106 LYS CD C 28.993 0.300 1 1177 106 106 LYS HD2 H 1.609 0.030 1 1178 106 106 LYS HD3 H 1.609 0.030 1 1179 106 106 LYS CE C 42.191 0.300 1 1180 106 106 LYS HE2 H 2.949 0.030 1 1181 106 106 LYS HE3 H 2.949 0.030 1 1182 106 106 LYS C C 177.466 0.300 1 1183 107 107 ASN N N 113.320 0.300 1 1184 107 107 ASN H H 7.606 0.030 1 1185 107 107 ASN CA C 53.813 0.300 1 1186 107 107 ASN HA H 4.841 0.030 1 1187 107 107 ASN CB C 39.785 0.300 1 1188 107 107 ASN HB2 H 2.820 0.030 2 1189 107 107 ASN HB3 H 2.073 0.030 2 1190 107 107 ASN ND2 N 115.309 0.300 1 1191 107 107 ASN HD21 H 6.294 0.030 2 1192 107 107 ASN HD22 H 6.685 0.030 2 1193 107 107 ASN C C 174.443 0.300 1 1194 108 108 GLY N N 109.386 0.300 1 1195 108 108 GLY H H 7.667 0.030 1 1196 108 108 GLY CA C 47.252 0.300 1 1197 108 108 GLY HA2 H 4.023 0.030 1 1198 108 108 GLY HA3 H 4.023 0.030 1 1199 108 108 GLY C C 174.436 0.300 1 1200 109 109 VAL N N 122.758 0.300 1 1201 109 109 VAL H H 8.480 0.030 1 1202 109 109 VAL CA C 63.788 0.300 1 1203 109 109 VAL HA H 4.094 0.030 1 1204 109 109 VAL CB C 32.931 0.300 1 1205 109 109 VAL HB H 2.077 0.030 1 1206 109 109 VAL CG1 C 22.140 0.300 2 1207 109 109 VAL HG1 H 1.279 0.030 1 1208 109 109 VAL CG2 C 22.101 0.300 2 1209 109 109 VAL HG2 H 1.390 0.030 1 1210 109 109 VAL C C 176.089 0.300 1 1211 110 110 THR N N 115.431 0.300 1 1212 110 110 THR H H 8.995 0.030 1 1213 110 110 THR CA C 62.045 0.300 1 1214 110 110 THR HA H 4.515 0.030 1 1215 110 110 THR CB C 70.758 0.300 1 1216 110 110 THR HB H 4.495 0.030 1 1217 110 110 THR CG2 C 20.928 0.300 1 1218 110 110 THR HG2 H 1.099 0.030 1 1219 110 110 THR C C 173.700 0.300 1 1220 111 111 ASP N N 123.757 0.300 1 1221 111 111 ASP H H 8.123 0.030 1 1222 111 111 ASP CA C 54.747 0.300 1 1223 111 111 ASP HA H 5.527 0.030 1 1224 111 111 ASP CB C 43.928 0.300 1 1225 111 111 ASP HB2 H 2.461 0.030 2 1226 111 111 ASP HB3 H 2.559 0.030 2 1227 111 111 ASP C C 172.807 0.300 1 1228 112 112 LEU N N 123.145 0.300 1 1229 112 112 LEU H H 8.671 0.030 1 1230 112 112 LEU CA C 52.953 0.300 1 1231 112 112 LEU HA H 5.213 0.030 1 1232 112 112 LEU CB C 47.875 0.300 1 1233 112 112 LEU HB2 H 1.137 0.030 2 1234 112 112 LEU HB3 H 1.353 0.030 2 1235 112 112 LEU CG C 27.009 0.300 1 1236 112 112 LEU HG H 1.293 0.030 1 1237 112 112 LEU CD1 C 25.347 0.300 2 1238 112 112 LEU HD1 H 0.732 0.030 1 1239 112 112 LEU CD2 C 25.467 0.300 2 1240 112 112 LEU HD2 H 0.589 0.030 1 1241 112 112 LEU C C 176.803 0.300 1 1242 113 113 SER N N 122.973 0.300 1 1243 113 113 SER H H 9.473 0.030 1 1244 113 113 SER CA C 59.207 0.300 1 1245 113 113 SER HA H 6.070 0.030 1 1246 113 113 SER CB C 67.023 0.300 1 1247 113 113 SER HB2 H 3.772 0.030 2 1248 113 113 SER HB3 H 3.895 0.030 2 1249 113 113 SER C C 172.066 0.300 1 1250 114 114 MET N N 118.476 0.300 1 1251 114 114 MET H H 9.080 0.030 1 1252 114 114 MET CA C 54.007 0.300 1 1253 114 114 MET HA H 5.435 0.030 1 1254 114 114 MET CB C 34.867 0.300 1 1255 114 114 MET HB2 H 2.243 0.030 2 1256 114 114 MET HB3 H 2.378 0.030 2 1257 114 114 MET CG C 30.421 0.300 1 1258 114 114 MET HG2 H 2.871 0.030 2 1259 114 114 MET HG3 H 2.372 0.030 2 1260 114 114 MET CE C 15.960 0.300 1 1261 114 114 MET HE H 1.688 0.030 1 1262 114 114 MET C C 172.934 0.300 1 1263 115 115 PRO CA C 62.262 0.300 1 1264 115 115 PRO HA H 5.593 0.030 1 1265 115 115 PRO CB C 32.748 0.300 1 1266 115 115 PRO HB2 H 2.360 0.030 1 1267 115 115 PRO HB3 H 2.360 0.030 1 1268 115 115 PRO CG C 26.702 0.300 1 1269 115 115 PRO HG2 H 2.220 0.030 2 1270 115 115 PRO HG3 H 2.017 0.030 2 1271 115 115 PRO CD C 49.124 0.300 1 1272 115 115 PRO HD2 H 4.245 0.030 2 1273 115 115 PRO HD3 H 3.881 0.030 2 1274 115 115 PRO C C 175.547 0.300 1 1275 116 116 ARG N N 116.821 0.300 1 1276 116 116 ARG H H 8.348 0.030 1 1277 116 116 ARG CA C 55.785 0.300 1 1278 116 116 ARG HA H 3.896 0.030 1 1279 116 116 ARG CB C 27.344 0.300 1 1280 116 116 ARG HB2 H 1.338 0.030 2 1281 116 116 ARG HB3 H 1.510 0.030 2 1282 116 116 ARG CG C 27.811 0.300 1 1283 116 116 ARG HG2 H 0.840 0.030 2 1284 116 116 ARG HG3 H 0.022 0.030 2 1285 116 116 ARG CD C 43.627 0.300 1 1286 116 116 ARG HD2 H 2.426 0.030 2 1287 116 116 ARG HD3 H 2.668 0.030 2 1288 116 116 ARG C C 176.796 0.300 1 1289 117 117 ILE N N 122.887 0.300 1 1290 117 117 ILE H H 7.989 0.030 1 1291 117 117 ILE CA C 63.148 0.300 1 1292 117 117 ILE HA H 4.028 0.030 1 1293 117 117 ILE CB C 40.010 0.300 1 1294 117 117 ILE HB H 1.938 0.030 1 1295 117 117 ILE CG1 C 24.736 0.300 1 1296 117 117 ILE HG12 H 1.481 0.030 2 1297 117 117 ILE HG13 H 2.122 0.030 2 1298 117 117 ILE CG2 C 19.879 0.300 1 1299 117 117 ILE HG2 H 1.224 0.030 1 1300 117 117 ILE CD1 C 15.496 0.300 1 1301 117 117 ILE HD1 H 0.795 0.030 1 1302 117 117 ILE C C 174.324 0.300 1 1303 118 118 GLY N N 107.320 0.300 1 1304 118 118 GLY H H 8.662 0.030 1 1305 118 118 GLY CA C 45.752 0.300 1 1306 118 118 GLY HA2 H 3.693 0.030 2 1307 118 118 GLY HA3 H 4.226 0.030 2 1308 118 118 GLY C C 172.861 0.300 1 1309 119 119 CYS N N 115.336 0.300 1 1310 119 119 CYS H H 7.445 0.030 1 1311 119 119 CYS CA C 58.753 0.300 1 1312 119 119 CYS HA H 4.831 0.030 1 1313 119 119 CYS CB C 28.840 0.300 1 1314 119 119 CYS HB2 H 3.002 0.030 2 1315 119 119 CYS HB3 H 3.190 0.030 2 1316 121 121 LEU CA C 57.692 0.300 1 1317 121 121 LEU HA H 4.152 0.030 1 1318 121 121 LEU CB C 41.644 0.300 1 1319 121 121 LEU HB2 H 1.816 0.030 2 1320 121 121 LEU HB3 H 1.626 0.030 2 1321 121 121 LEU CG C 27.176 0.300 1 1322 121 121 LEU HG H 1.816 0.030 1 1323 121 121 LEU CD1 C 25.179 0.300 2 1324 121 121 LEU HD1 H 0.965 0.030 1 1325 121 121 LEU CD2 C 23.347 0.300 2 1326 121 121 LEU HD2 H 0.931 0.030 1 1327 123 123 ARG N N 107.909 0.300 1 1328 123 123 ARG H H 7.536 0.030 1 1329 123 123 ARG CA C 57.775 0.300 1 1330 123 123 ARG HA H 3.989 0.030 1 1331 123 123 ARG CB C 28.219 0.300 1 1332 123 123 ARG HB2 H 2.180 0.030 2 1333 123 123 ARG HB3 H 1.926 0.030 2 1334 123 123 ARG CG C 27.235 0.300 1 1335 123 123 ARG HG2 H 1.710 0.030 1 1336 123 123 ARG HG3 H 1.710 0.030 1 1337 123 123 ARG CD C 43.714 0.300 1 1338 123 123 ARG HD2 H 3.195 0.030 2 1339 123 123 ARG HD3 H 3.278 0.030 2 1340 123 123 ARG C C 176.088 0.300 1 1341 124 124 LEU N N 118.876 0.300 1 1342 124 124 LEU H H 8.401 0.030 1 1343 124 124 LEU CA C 54.573 0.300 1 1344 124 124 LEU HA H 4.533 0.030 1 1345 124 124 LEU CB C 39.785 0.300 1 1346 124 124 LEU HB2 H 1.659 0.030 2 1347 124 124 LEU HB3 H 1.207 0.030 2 1348 124 124 LEU CG C 26.075 0.300 1 1349 124 124 LEU HG H 1.568 0.030 1 1350 124 124 LEU CD1 C 25.514 0.300 2 1351 124 124 LEU HD1 H 0.435 0.030 1 1352 124 124 LEU CD2 C 19.718 0.300 2 1353 124 124 LEU HD2 H 0.144 0.030 1 1354 124 124 LEU C C 175.551 0.300 1 1355 125 125 GLN N N 116.713 0.300 1 1356 125 125 GLN H H 7.779 0.030 1 1357 125 125 GLN CA C 54.609 0.300 1 1358 125 125 GLN HA H 4.794 0.030 1 1359 125 125 GLN CB C 30.327 0.300 1 1360 125 125 GLN HB2 H 2.359 0.030 2 1361 125 125 GLN HB3 H 2.190 0.030 2 1362 125 125 GLN CG C 34.184 0.300 1 1363 125 125 GLN HG2 H 2.553 0.030 1 1364 125 125 GLN HG3 H 2.553 0.030 1 1365 125 125 GLN NE2 N 112.991 0.300 1 1366 125 125 GLN HE21 H 7.699 0.030 2 1367 125 125 GLN HE22 H 6.953 0.030 2 1368 125 125 GLN C C 177.722 0.300 1 1369 126 126 TRP N N 128.887 0.300 1 1370 126 126 TRP H H 9.755 0.030 1 1371 126 126 TRP CA C 59.962 0.300 1 1372 126 126 TRP HA H 4.545 0.030 1 1373 126 126 TRP CB C 30.009 0.300 1 1374 126 126 TRP HB2 H 3.183 0.030 2 1375 126 126 TRP HB3 H 3.755 0.030 2 1376 126 126 TRP CD1 C 127.544 0.300 1 1377 126 126 TRP HD1 H 7.202 0.030 1 1378 126 126 TRP NE1 N 128.143 0.300 1 1379 126 126 TRP HE1 H 10.408 0.030 1 1380 126 126 TRP CE3 C 122.533 0.300 1 1381 126 126 TRP HE3 H 7.996 0.030 1 1382 126 126 TRP CZ2 C 114.391 0.300 1 1383 126 126 TRP HZ2 H 7.642 0.030 1 1384 126 126 TRP CZ3 C 122.459 0.300 1 1385 126 126 TRP HZ3 H 7.382 0.030 1 1386 126 126 TRP CH2 C 124.321 0.300 1 1387 126 126 TRP HH2 H 6.995 0.030 1 1388 126 126 TRP C C 177.057 0.300 1 1389 127 127 GLU N N 119.568 0.300 1 1390 127 127 GLU H H 9.946 0.030 1 1391 127 127 GLU CA C 60.623 0.300 1 1392 127 127 GLU HA H 3.780 0.030 1 1393 127 127 GLU CB C 28.594 0.300 1 1394 127 127 GLU HB2 H 1.934 0.030 2 1395 127 127 GLU HB3 H 1.982 0.030 2 1396 127 127 GLU CG C 36.778 0.300 1 1397 127 127 GLU HG2 H 2.329 0.030 2 1398 127 127 GLU HG3 H 2.428 0.030 2 1399 127 127 GLU C C 177.905 0.300 1 1400 128 128 ASN N N 115.229 0.300 1 1401 128 128 ASN H H 7.159 0.030 1 1402 128 128 ASN CA C 55.370 0.300 1 1403 128 128 ASN HA H 4.446 0.030 1 1404 128 128 ASN CB C 38.522 0.300 1 1405 128 128 ASN HB2 H 2.984 0.030 2 1406 128 128 ASN HB3 H 2.398 0.030 2 1407 128 128 ASN ND2 N 110.668 0.300 1 1408 128 128 ASN HD21 H 6.863 0.030 2 1409 128 128 ASN HD22 H 6.805 0.030 2 1410 128 128 ASN C C 177.374 0.300 1 1411 129 129 VAL N N 122.487 0.300 1 1412 129 129 VAL H H 8.033 0.030 1 1413 129 129 VAL CA C 67.289 0.300 1 1414 129 129 VAL HA H 3.489 0.030 1 1415 129 129 VAL CB C 31.824 0.300 1 1416 129 129 VAL HB H 1.715 0.030 1 1417 129 129 VAL CG1 C 21.668 0.300 2 1418 129 129 VAL HG1 H 0.943 0.030 1 1419 129 129 VAL CG2 C 23.098 0.300 2 1420 129 129 VAL HG2 H 1.111 0.030 1 1421 129 129 VAL C C 177.209 0.300 1 1422 130 130 SER N N 115.189 0.300 1 1423 130 130 SER H H 8.550 0.030 1 1424 130 130 SER CA C 61.477 0.300 1 1425 130 130 SER HA H 3.151 0.030 1 1426 130 130 SER CB C 61.348 0.300 1 1427 130 130 SER HB2 H 3.412 0.030 2 1428 130 130 SER HB3 H 2.779 0.030 2 1429 130 130 SER C C 175.971 0.300 1 1430 131 131 ALA N N 123.596 0.300 1 1431 131 131 ALA H H 6.551 0.030 1 1432 131 131 ALA CA C 54.947 0.300 1 1433 131 131 ALA HA H 4.079 0.030 1 1434 131 131 ALA CB C 18.023 0.300 1 1435 131 131 ALA HB H 1.411 0.030 1 1436 131 131 ALA C C 179.947 0.300 1 1437 132 132 MET N N 119.410 0.300 1 1438 132 132 MET H H 7.442 0.030 1 1439 132 132 MET CA C 58.917 0.300 1 1440 132 132 MET HA H 4.118 0.030 1 1441 132 132 MET CB C 33.984 0.300 1 1442 132 132 MET HB2 H 2.221 0.030 2 1443 132 132 MET HB3 H 2.263 0.030 2 1444 132 132 MET CG C 30.707 0.300 1 1445 132 132 MET HG2 H 2.566 0.030 2 1446 132 132 MET HG3 H 2.219 0.030 2 1447 132 132 MET CE C 17.293 0.300 1 1448 132 132 MET HE H 2.242 0.030 1 1449 132 132 MET C C 178.019 0.300 1 1450 133 133 ILE N N 120.265 0.300 1 1451 133 133 ILE H H 8.554 0.030 1 1452 133 133 ILE CA C 66.859 0.300 1 1453 133 133 ILE HA H 3.470 0.030 1 1454 133 133 ILE CB C 38.240 0.300 1 1455 133 133 ILE HB H 1.910 0.030 1 1456 133 133 ILE CG1 C 30.545 0.300 1 1457 133 133 ILE HG12 H 0.688 0.030 2 1458 133 133 ILE HG13 H 1.883 0.030 2 1459 133 133 ILE CG2 C 18.511 0.300 1 1460 133 133 ILE HG2 H 0.720 0.030 1 1461 133 133 ILE CD1 C 15.171 0.300 1 1462 133 133 ILE HD1 H 0.808 0.030 1 1463 133 133 ILE C C 177.949 0.300 1 1464 134 134 GLU N N 117.011 0.300 1 1465 134 134 GLU H H 8.106 0.030 1 1466 134 134 GLU CA C 59.844 0.300 1 1467 134 134 GLU HA H 3.919 0.030 1 1468 134 134 GLU CB C 29.024 0.300 1 1469 134 134 GLU HB2 H 2.098 0.030 1 1470 134 134 GLU HB3 H 2.098 0.030 1 1471 134 134 GLU CG C 36.168 0.300 1 1472 134 134 GLU HG2 H 2.484 0.030 2 1473 134 134 GLU HG3 H 2.272 0.030 2 1474 134 134 GLU C C 178.982 0.300 1 1475 135 135 GLU N N 118.619 0.300 1 1476 135 135 GLU H H 7.848 0.030 1 1477 135 135 GLU CA C 59.438 0.300 1 1478 135 135 GLU HA H 4.090 0.030 1 1479 135 135 GLU CB C 29.948 0.300 1 1480 135 135 GLU HB2 H 2.123 0.030 1 1481 135 135 GLU HB3 H 2.123 0.030 1 1482 135 135 GLU CG C 36.216 0.300 1 1483 135 135 GLU HG2 H 2.346 0.030 2 1484 135 135 GLU HG3 H 2.118 0.030 2 1485 135 135 GLU C C 179.547 0.300 1 1486 136 136 VAL N N 119.915 0.300 1 1487 136 136 VAL H H 8.793 0.030 1 1488 136 136 VAL CA C 66.122 0.300 1 1489 136 136 VAL HA H 3.578 0.030 1 1490 136 136 VAL CB C 31.990 0.300 1 1491 136 136 VAL HB H 1.921 0.030 1 1492 136 136 VAL CG1 C 21.586 0.300 2 1493 136 136 VAL HG1 H 0.104 0.030 1 1494 136 136 VAL CG2 C 23.201 0.300 2 1495 136 136 VAL HG2 H 1.064 0.030 1 1496 136 136 VAL C C 177.646 0.300 1 1497 137 137 PHE N N 111.913 0.300 1 1498 137 137 PHE H H 8.009 0.030 1 1499 137 137 PHE CA C 59.545 0.300 1 1500 137 137 PHE HA H 4.197 0.030 1 1501 137 137 PHE CB C 38.105 0.300 1 1502 137 137 PHE HB2 H 3.155 0.030 2 1503 137 137 PHE HB3 H 2.659 0.030 2 1504 137 137 PHE CD1 C 132.207 0.300 1 1505 137 137 PHE HD1 H 7.621 0.030 1 1506 137 137 PHE CD2 C 132.207 0.300 1 1507 137 137 PHE HD2 H 7.621 0.030 1 1508 137 137 PHE CE1 C 129.653 0.300 1 1509 137 137 PHE HE1 H 6.937 0.030 1 1510 137 137 PHE CE2 C 129.653 0.300 1 1511 137 137 PHE HE2 H 6.937 0.030 1 1512 137 137 PHE CZ C 128.593 0.300 1 1513 137 137 PHE HZ H 6.827 0.030 1 1514 138 138 GLU N N 123.997 0.300 1 1515 138 138 GLU H H 7.268 0.030 1 1516 138 138 GLU CA C 59.222 0.300 1 1517 138 138 GLU HA H 4.161 0.030 1 1518 138 138 GLU CB C 29.644 0.300 1 1519 138 138 GLU HB2 H 2.454 0.030 2 1520 138 138 GLU HB3 H 2.054 0.030 2 1521 138 138 GLU CG C 35.772 0.300 1 1522 138 138 GLU HG2 H 2.380 0.030 2 1523 138 138 GLU HG3 H 2.350 0.030 2 1524 139 139 ALA N N 121.713 0.300 1 1525 139 139 ALA H H 8.830 0.030 1 1526 139 139 ALA CA C 52.894 0.300 1 1527 139 139 ALA HA H 4.334 0.030 1 1528 139 139 ALA CB C 17.362 0.300 1 1529 139 139 ALA HB H 1.483 0.030 1 1530 139 139 ALA C C 176.943 0.300 1 1531 140 140 THR N N 107.901 0.300 1 1532 140 140 THR H H 7.809 0.030 1 1533 140 140 THR CA C 61.013 0.300 1 1534 140 140 THR HA H 4.164 0.030 1 1535 140 140 THR CB C 72.698 0.300 1 1536 140 140 THR HB H 4.451 0.030 1 1537 140 140 THR CG2 C 22.141 0.300 1 1538 140 140 THR HG2 H 1.230 0.030 1 1539 140 140 THR C C 174.222 0.300 1 1540 141 141 ASP N N 120.212 0.300 1 1541 141 141 ASP H H 8.959 0.030 1 1542 141 141 ASP CA C 53.333 0.300 1 1543 141 141 ASP HA H 4.991 0.030 1 1544 141 141 ASP CB C 40.660 0.300 1 1545 141 141 ASP HB2 H 2.631 0.030 2 1546 141 141 ASP HB3 H 2.906 0.030 2 1547 141 141 ASP C C 175.403 0.300 1 1548 142 142 ILE N N 120.815 0.300 1 1549 142 142 ILE H H 7.444 0.030 1 1550 142 142 ILE CA C 62.338 0.300 1 1551 142 142 ILE HA H 4.131 0.030 1 1552 142 142 ILE CB C 38.703 0.300 1 1553 142 142 ILE HB H 1.792 0.030 1 1554 142 142 ILE CG1 C 29.364 0.300 1 1555 142 142 ILE HG12 H 1.319 0.030 2 1556 142 142 ILE HG13 H 1.750 0.030 2 1557 142 142 ILE CG2 C 16.931 0.300 1 1558 142 142 ILE HG2 H 0.434 0.030 1 1559 142 142 ILE CD1 C 14.177 0.300 1 1560 142 142 ILE HD1 H 1.090 0.030 1 1561 142 142 ILE C C 175.399 0.300 1 1562 143 143 LYS N N 129.106 0.300 1 1563 143 143 LYS H H 8.588 0.030 1 1564 143 143 LYS CA C 55.725 0.300 1 1565 143 143 LYS HA H 4.444 0.030 1 1566 143 143 LYS CB C 33.768 0.300 1 1567 143 143 LYS HB2 H 1.864 0.030 2 1568 143 143 LYS HB3 H 1.991 0.030 2 1569 143 143 LYS CG C 24.928 0.300 1 1570 143 143 LYS HG2 H 1.399 0.030 2 1571 143 143 LYS HG3 H 1.540 0.030 2 1572 143 143 LYS CD C 28.819 0.300 1 1573 143 143 LYS HD2 H 1.700 0.030 1 1574 143 143 LYS HD3 H 1.700 0.030 1 1575 143 143 LYS CE C 42.099 0.300 1 1576 143 143 LYS HE2 H 3.027 0.030 1 1577 143 143 LYS HE3 H 3.027 0.030 1 1578 143 143 LYS C C 174.820 0.300 1 1579 144 144 ILE N N 122.496 0.300 1 1580 144 144 ILE H H 7.884 0.030 1 1581 144 144 ILE CA C 59.861 0.300 1 1582 144 144 ILE HA H 4.937 0.030 1 1583 144 144 ILE CB C 40.518 0.300 1 1584 144 144 ILE HB H 1.482 0.030 1 1585 144 144 ILE CG1 C 28.609 0.300 1 1586 144 144 ILE HG12 H 0.566 0.030 2 1587 144 144 ILE HG13 H 1.000 0.030 2 1588 144 144 ILE CG2 C 18.528 0.300 1 1589 144 144 ILE HG2 H 0.684 0.030 1 1590 144 144 ILE CD1 C 13.176 0.300 1 1591 144 144 ILE HD1 H -0.135 0.030 1 1592 144 144 ILE C C 175.232 0.300 1 1593 145 145 THR N N 126.667 0.300 1 1594 145 145 THR H H 9.100 0.030 1 1595 145 145 THR CA C 61.374 0.300 1 1596 145 145 THR HA H 4.992 0.030 1 1597 145 145 THR CB C 68.907 0.300 1 1598 145 145 THR HB H 4.354 0.030 1 1599 145 145 THR CG2 C 23.068 0.300 1 1600 145 145 THR HG2 H 0.660 0.030 1 1601 145 145 THR C C 173.158 0.300 1 1602 146 146 VAL N N 127.717 0.300 1 1603 146 146 VAL H H 8.818 0.030 1 1604 146 146 VAL CA C 59.930 0.300 1 1605 146 146 VAL HA H 5.053 0.030 1 1606 146 146 VAL CB C 32.906 0.300 1 1607 146 146 VAL HB H 1.522 0.030 1 1608 146 146 VAL CG1 C 20.758 0.300 2 1609 146 146 VAL HG1 H 0.456 0.030 1 1610 146 146 VAL CG2 C 22.169 0.300 2 1611 146 146 VAL HG2 H 0.815 0.030 1 1612 146 146 VAL C C 175.653 0.300 1 1613 147 147 TYR N N 129.304 0.300 1 1614 147 147 TYR H H 8.926 0.030 1 1615 147 147 TYR CA C 57.290 0.300 1 1616 147 147 TYR HA H 5.283 0.030 1 1617 147 147 TYR CB C 40.422 0.300 1 1618 147 147 TYR HB2 H 2.496 0.030 2 1619 147 147 TYR HB3 H 2.769 0.030 2 1620 147 147 TYR CD1 C 132.425 0.300 1 1621 147 147 TYR HD1 H 6.674 0.030 1 1622 147 147 TYR CD2 C 132.425 0.300 1 1623 147 147 TYR HD2 H 6.674 0.030 1 1624 147 147 TYR CE1 C 118.033 0.300 1 1625 147 147 TYR HE1 H 6.703 0.030 1 1626 147 147 TYR CE2 C 118.033 0.300 1 1627 147 147 TYR HE2 H 6.703 0.030 1 1628 147 147 TYR C C 177.250 0.300 1 1629 148 148 THR N N 116.883 0.300 1 1630 148 148 THR H H 8.607 0.030 1 1631 148 148 THR CA C 61.560 0.300 1 1632 148 148 THR HA H 4.431 0.030 1 1633 148 148 THR CB C 70.966 0.300 1 1634 148 148 THR HB H 4.095 0.030 1 1635 148 148 THR CG2 C 21.153 0.300 1 1636 148 148 THR HG2 H 1.156 0.030 1 1637 148 148 THR C C 172.797 0.300 1 1638 149 149 LEU N N 129.634 0.300 1 1639 149 149 LEU H H 8.026 0.030 1 1640 149 149 LEU CA C 57.244 0.300 1 1641 149 149 LEU HA H 4.219 0.030 1 1642 149 149 LEU CB C 43.420 0.300 1 1643 149 149 LEU HB2 H 1.576 0.030 1 1644 149 149 LEU HB3 H 1.576 0.030 1 1645 149 149 LEU CG C 27.419 0.300 1 1646 149 149 LEU HG H 1.654 0.030 1 1647 149 149 LEU CD1 C 25.080 0.300 2 1648 149 149 LEU HD1 H 0.913 0.030 1 1649 149 149 LEU CD2 C 24.006 0.300 2 1650 149 149 LEU HD2 H 0.879 0.030 1 1651 149 149 LEU C C 182.794 0.300 1 stop_ save_