data_7070 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; RRMs 1 and 2 of Prp24 from S. cerevisiae ; _BMRB_accession_number 7070 _BMRB_flat_file_name bmr7070.str _Entry_type original _Submission_date 2006-04-12 _Accession_date 2006-04-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details '(RNA recognition domains 1 and 2, residues 38 - 197) of Prp24 (S. cerevisiae)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Reiter Nicholas J. . 2 Lee Donghan . . 3 Wang Yun-Xin . . 4 Tonelli Marco . . 5 Bahrami Arash . . 6 Cornilescu Claudia C. . 7 Butcher Samuel E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 906 "13C chemical shifts" 687 "15N chemical shifts" 163 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-09 update Author 'Citation update' 2006-12-04 original Author 'Author release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Resonance assignments for the two N-terminal RNA recognition motifs (RRM) of the S. cerevisiae Pre-mRNA Processing Protein Prp24 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17131032 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Reiter Nicholas J. . 2 Lee Donghan . . 3 Wang Yun-Xing . . 4 Tonelli Marco . . 5 Bahrami Arash . . 6 Cornilescu Claudia C. . 7 Butcher Samuel E. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 58 _Page_last 58 _Year 2006 _Details . loop_ _Keyword beta-alpha-beta RBD RRM 'U6 RNA' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name monomer _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'monomer (2 RRM domains)' $polypeptide stop_ _System_molecular_weight 19421 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'monomer (2 RRM domains)' stop_ loop_ _Biological_function 'splicing protein' 'U6 RNP' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_polypeptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'PRP24 (RRM 1 and 2)' _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'splicing protein' 'U6 RNA' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 161 _Mol_residue_sequence ; MRELTTVLVKNLPKSYNQNK VYKYFKHCGPIIHVDVADSL KKNFRFARIEFARYDGALAA ITKTHKVVGQNEIIVSHLTE CTLWMTNFPPSYTQRNIRDL LQDINVVALSIRLPSLRFNT SRRFAYIDVTSKEDARYCVE KLNGLKIEGYTLVTKVSNPL E ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 GLU 4 LEU 5 THR 6 THR 7 VAL 8 LEU 9 VAL 10 LYS 11 ASN 12 LEU 13 PRO 14 LYS 15 SER 16 TYR 17 ASN 18 GLN 19 ASN 20 LYS 21 VAL 22 TYR 23 LYS 24 TYR 25 PHE 26 LYS 27 HIS 28 CYS 29 GLY 30 PRO 31 ILE 32 ILE 33 HIS 34 VAL 35 ASP 36 VAL 37 ALA 38 ASP 39 SER 40 LEU 41 LYS 42 LYS 43 ASN 44 PHE 45 ARG 46 PHE 47 ALA 48 ARG 49 ILE 50 GLU 51 PHE 52 ALA 53 ARG 54 TYR 55 ASP 56 GLY 57 ALA 58 LEU 59 ALA 60 ALA 61 ILE 62 THR 63 LYS 64 THR 65 HIS 66 LYS 67 VAL 68 VAL 69 GLY 70 GLN 71 ASN 72 GLU 73 ILE 74 ILE 75 VAL 76 SER 77 HIS 78 LEU 79 THR 80 GLU 81 CYS 82 THR 83 LEU 84 TRP 85 MET 86 THR 87 ASN 88 PHE 89 PRO 90 PRO 91 SER 92 TYR 93 THR 94 GLN 95 ARG 96 ASN 97 ILE 98 ARG 99 ASP 100 LEU 101 LEU 102 GLN 103 ASP 104 ILE 105 ASN 106 VAL 107 VAL 108 ALA 109 LEU 110 SER 111 ILE 112 ARG 113 LEU 114 PRO 115 SER 116 LEU 117 ARG 118 PHE 119 ASN 120 THR 121 SER 122 ARG 123 ARG 124 PHE 125 ALA 126 TYR 127 ILE 128 ASP 129 VAL 130 THR 131 SER 132 LYS 133 GLU 134 ASP 135 ALA 136 ARG 137 TYR 138 CYS 139 VAL 140 GLU 141 LYS 142 LEU 143 ASN 144 GLY 145 LEU 146 LYS 147 ILE 148 GLU 149 GLY 150 TYR 151 THR 152 LEU 153 VAL 154 THR 155 LYS 156 VAL 157 SER 158 ASN 159 PRO 160 LEU 161 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 16230 Prp24-RRM2 52.17 92 98.81 100.00 3.37e-53 BMRB 16243 Prp24-RRM23 52.17 186 98.81 100.00 1.28e-52 BMRB 16244 Prp24-RRM23 52.17 186 98.81 100.00 1.28e-52 BMRB 16246 Prp24-RRM2 52.17 92 98.81 100.00 3.37e-53 PDB 2GHP "Crystal Structure Of The N-Terminal 3 Rna Binding Domains Of The Yeast Splicing Factor Prp24" 99.38 292 99.38 99.38 6.71e-112 PDB 2GO9 "Rrm Domains 1 And 2 Of Prp24 From S. Cerevisiae" 100.00 161 100.00 100.00 5.22e-115 PDB 2KH9 "Solution Structure Of Yeast Prp24-Rrm2 Bound To A Fragment Of U6 Rna" 52.17 92 98.81 100.00 3.37e-53 PDB 4N0T "Core Structure Of The U6 Small Nuclear Ribonucleoprotein At 1.7 Angstrom Resolution" 99.38 374 100.00 100.00 5.37e-112 DBJ GAA25719 "K7_Prp24p [Saccharomyces cerevisiae Kyokai no. 7]" 99.38 444 100.00 100.00 2.42e-111 EMBL CAA89251 "U6sNRPp [Saccharomyces cerevisiae]" 99.38 444 100.00 100.00 1.97e-111 EMBL CAY82100 "Prp24p [Saccharomyces cerevisiae EC1118]" 99.38 444 100.00 100.00 1.97e-111 GB AAU09775 "YMR268C [Saccharomyces cerevisiae]" 98.76 444 100.00 100.00 1.46e-110 GB AHY76723 "Prp24p [Saccharomyces cerevisiae YJM993]" 99.38 444 100.00 100.00 1.97e-111 GB EDN64207 "Pre-mRNA Processing [Saccharomyces cerevisiae YJM789]" 99.38 444 100.00 100.00 2.42e-111 GB EDV11758 "U4/U6 snRNP-associated protein [Saccharomyces cerevisiae RM11-1a]" 99.38 444 100.00 100.00 1.97e-111 GB EDZ69961 "YMR268Cp-like protein [Saccharomyces cerevisiae AWRI1631]" 99.38 444 100.00 100.00 1.97e-111 REF NP_013995 "Prp24p [Saccharomyces cerevisiae S288c]" 99.38 444 100.00 100.00 1.97e-111 SP P49960 "RecName: Full=U4/U6 snRNA-associated-splicing factor PRP24; Short=U4/U6 snRNP protein [Saccharomyces cerevisiae S288c]" 99.38 444 100.00 100.00 1.97e-111 TPG DAA10168 "TPA: Prp24p [Saccharomyces cerevisiae S288c]" 99.38 444 100.00 100.00 1.97e-111 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $polypeptide 'Baker's yeast' 4932 Eukaryota Metazoa Saccharomyces cerevisiae 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 $polypeptide 'recombinant technology' 'E. coli' . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.3 mM- 0.8 mM protein, 50 mM K(PO)4) 0.1 M KCL 2 mM DTT ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $polypeptide 0.6 mM 0.3 0.9 '[U-15N; U-13C]' K(PO)4) 50 mM . . . KCL 0.1 M . . . DTT 2 mM . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-_aliphpatic_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-_aliphpatic_NOESY _Sample_label $sample_1 save_ save_3D_15N-_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N-_NOESY _Sample_label $sample_1 save_ save_3D_13C-aromatic_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-aromatic_NOESY _Sample_label $sample_1 save_ save_3D_13C-_aliphpatic_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C- aliphpatic NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N- NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_13C-aromatic_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-aromatic NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 3 mM pH 6.5 0.1 pH temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . 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 internal direct . . . 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 3D_13C-_aliphpatic_NOESY 3D_15N-_NOESY 3D_13C-aromatic_NOESY stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'monomer (2 RRM domains)' _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 3 3 GLU HA H 4.272 0.020 1 2 3 3 GLU HB2 H 1.870 0.020 1 3 3 3 GLU HB3 H 1.870 0.020 1 4 3 3 GLU HG2 H 2.192 0.020 2 5 3 3 GLU HG3 H 2.096 0.020 2 6 3 3 GLU CA C 56.537 0.400 1 7 3 3 GLU CB C 30.656 0.400 1 8 3 3 GLU CG C 36.469 0.400 1 9 4 4 LEU H H 8.492 0.020 1 10 4 4 LEU HA H 4.534 0.020 1 11 4 4 LEU HB2 H 1.422 0.020 2 12 4 4 LEU HB3 H 1.541 0.020 2 13 4 4 LEU HD1 H 0.622 0.020 2 14 4 4 LEU HD2 H 0.665 0.020 2 15 4 4 LEU C C 174.459 0.400 1 16 4 4 LEU CA C 55.129 0.400 1 17 4 4 LEU CB C 41.250 0.400 1 18 4 4 LEU CG C 25.414 0.400 1 19 4 4 LEU CD1 C 25.289 0.400 1 20 4 4 LEU CD2 C 23.211 0.400 1 21 4 4 LEU N N 123.407 0.400 1 22 5 5 THR H H 8.241 0.020 1 23 5 5 THR HA H 4.435 0.020 1 24 5 5 THR HB H 4.803 0.020 1 25 5 5 THR HG2 H 0.979 0.020 1 26 5 5 THR C C 177.453 0.400 1 27 5 5 THR CA C 62.206 0.400 1 28 5 5 THR CB C 69.749 0.400 1 29 5 5 THR CG2 C 22.244 0.400 1 30 5 5 THR N N 110.130 0.400 1 31 6 6 THR H H 8.044 0.020 1 32 6 6 THR HA H 5.603 0.020 1 33 6 6 THR HB H 4.088 0.020 1 34 6 6 THR HG2 H 1.063 0.020 1 35 6 6 THR C C 174.616 0.400 1 36 6 6 THR CA C 62.159 0.400 1 37 6 6 THR CB C 69.716 0.400 1 38 6 6 THR CG2 C 23.050 0.400 1 39 6 6 THR N N 117.907 0.400 1 40 7 7 VAL H H 9.287 0.020 1 41 7 7 VAL HA H 5.099 0.020 1 42 7 7 VAL HB H 2.075 0.020 1 43 7 7 VAL HG1 H 0.756 0.020 2 44 7 7 VAL HG2 H 0.790 0.020 2 45 7 7 VAL C C 175.436 0.400 1 46 7 7 VAL CA C 59.204 0.400 1 47 7 7 VAL CB C 34.861 0.400 1 48 7 7 VAL CG1 C 21.791 0.400 1 49 7 7 VAL CG2 C 20.317 0.400 1 50 7 7 VAL N N 120.503 0.400 1 51 8 8 LEU H H 9.242 0.020 1 52 8 8 LEU HA H 5.172 0.020 1 53 8 8 LEU HB2 H 1.351 0.020 2 54 8 8 LEU HB3 H 1.854 0.020 2 55 8 8 LEU HG H 1.559 0.020 1 56 8 8 LEU HD1 H 0.869 0.020 2 57 8 8 LEU HD2 H 0.732 0.020 2 58 8 8 LEU C C 172.959 0.400 1 59 8 8 LEU CA C 53.010 0.400 1 60 8 8 LEU CB C 45.383 0.400 1 61 8 8 LEU CG C 28.204 0.400 1 62 8 8 LEU CD1 C 25.224 0.400 1 63 8 8 LEU CD2 C 25.565 0.400 1 64 8 8 LEU N N 123.896 0.400 1 65 9 9 VAL H H 9.618 0.020 1 66 9 9 VAL HA H 5.097 0.020 1 67 9 9 VAL HB H 2.025 0.020 1 68 9 9 VAL HG1 H 0.721 0.020 2 69 9 9 VAL HG2 H 1.023 0.020 2 70 9 9 VAL C C 175.096 0.400 1 71 9 9 VAL CA C 60.771 0.400 1 72 9 9 VAL CB C 33.664 0.400 1 73 9 9 VAL CG1 C 21.483 0.400 1 74 9 9 VAL CG2 C 22.658 0.400 1 75 9 9 VAL N N 125.420 0.400 1 76 10 10 LYS H H 9.485 0.020 1 77 10 10 LYS HA H 4.700 0.020 1 78 10 10 LYS HB2 H 1.704 0.020 2 79 10 10 LYS HB3 H 1.788 0.020 2 80 10 10 LYS HG2 H 1.214 0.020 1 81 10 10 LYS HG3 H 1.214 0.020 1 82 10 10 LYS HE2 H 2.975 0.020 1 83 10 10 LYS HE3 H 2.975 0.020 1 84 10 10 LYS C C 175.210 0.400 1 85 10 10 LYS CA C 55.292 0.400 1 86 10 10 LYS CB C 36.428 0.400 1 87 10 10 LYS CG C 26.222 0.400 1 88 10 10 LYS CD C 29.847 0.400 1 89 10 10 LYS CE C 41.759 0.400 1 90 10 10 LYS N N 125.182 0.400 1 91 11 11 ASN H H 6.172 0.020 1 92 11 11 ASN HA H 3.810 0.020 1 93 11 11 ASN HB2 H 1.868 0.020 2 94 11 11 ASN HB3 H 3.435 0.020 2 95 11 11 ASN HD21 H 6.375 0.020 2 96 11 11 ASN HD22 H 7.576 0.020 2 97 11 11 ASN C C 175.166 0.400 1 98 11 11 ASN CA C 54.088 0.400 1 99 11 11 ASN CB C 37.722 0.400 1 100 11 11 ASN N N 114.611 0.400 1 101 11 11 ASN ND2 N 108.758 0.400 1 102 12 12 LEU H H 8.312 0.020 1 103 12 12 LEU HA H 3.967 0.020 1 104 12 12 LEU HB2 H 0.946 0.020 2 105 12 12 LEU HB3 H 1.499 0.020 2 106 12 12 LEU HD1 H 0.535 0.020 2 107 12 12 LEU HD2 H 0.709 0.020 2 108 12 12 LEU C C 175.668 0.400 1 109 12 12 LEU CA C 54.181 0.400 1 110 12 12 LEU CB C 41.293 0.400 1 111 12 12 LEU CD1 C 23.330 0.400 1 112 12 12 LEU CD2 C 28.012 0.400 1 113 12 12 LEU N N 117.031 0.400 1 114 13 13 PRO HA H 4.418 0.020 1 115 13 13 PRO HB2 H 1.787 0.020 2 116 13 13 PRO HB3 H 1.881 0.020 2 117 13 13 PRO HG2 H 1.657 0.020 1 118 13 13 PRO HG3 H 1.657 0.020 1 119 13 13 PRO HD2 H 3.213 0.020 2 120 13 13 PRO HD3 H 2.431 0.020 2 121 13 13 PRO CA C 63.041 0.400 1 122 13 13 PRO CB C 32.285 0.400 1 123 13 13 PRO CG C 28.392 0.400 1 124 13 13 PRO CD C 49.769 0.400 1 125 14 14 LYS H H 8.681 0.020 1 126 14 14 LYS HA H 3.688 0.020 1 127 14 14 LYS HB2 H 1.630 0.020 2 128 14 14 LYS HB3 H 1.758 0.020 2 129 14 14 LYS HG2 H 1.369 0.020 1 130 14 14 LYS HG3 H 1.369 0.020 1 131 14 14 LYS C C 177.477 0.400 1 132 14 14 LYS CA C 58.988 0.400 1 133 14 14 LYS CB C 31.881 0.400 1 134 14 14 LYS CG C 24.493 0.400 1 135 14 14 LYS CD C 29.811 0.400 1 136 14 14 LYS CE C 42.006 0.400 1 137 14 14 LYS N N 120.856 0.400 1 138 15 15 SER H H 7.574 0.020 1 139 15 15 SER HA H 4.316 0.020 1 140 15 15 SER HB2 H 3.869 0.020 1 141 15 15 SER HB3 H 3.869 0.020 1 142 15 15 SER C C 175.584 0.400 1 143 15 15 SER CA C 58.348 0.400 1 144 15 15 SER CB C 63.547 0.400 1 145 15 15 SER N N 108.437 0.400 1 146 16 16 TYR H H 8.100 0.020 1 147 16 16 TYR HA H 4.091 0.020 1 148 16 16 TYR HB2 H 2.512 0.020 2 149 16 16 TYR HB3 H 3.391 0.020 2 150 16 16 TYR HD1 H 6.908 0.020 1 151 16 16 TYR HD2 H 6.908 0.020 1 152 16 16 TYR HE1 H 6.535 0.020 1 153 16 16 TYR HE2 H 6.535 0.020 1 154 16 16 TYR C C 175.722 0.400 1 155 16 16 TYR CA C 61.496 0.400 1 156 16 16 TYR CB C 37.550 0.400 1 157 16 16 TYR CD1 C 132.491 0.400 1 158 16 16 TYR CE1 C 119.628 0.400 1 159 16 16 TYR N N 125.741 0.400 1 160 17 17 ASN H H 6.785 0.020 1 161 17 17 ASN HA H 4.647 0.020 1 162 17 17 ASN HB2 H 3.007 0.020 2 163 17 17 ASN HB3 H 3.356 0.020 2 164 17 17 ASN C C 174.029 0.400 1 165 17 17 ASN CA C 50.998 0.400 1 166 17 17 ASN CB C 39.794 0.400 1 167 17 17 ASN N N 119.234 0.400 1 168 18 18 GLN H H 9.242 0.020 1 169 18 18 GLN HA H 3.639 0.020 1 170 18 18 GLN HB2 H 2.032 0.020 2 171 18 18 GLN HB3 H 2.117 0.020 2 172 18 18 GLN HG2 H 2.270 0.020 2 173 18 18 GLN HG3 H 2.385 0.020 2 174 18 18 GLN HE21 H 7.110 0.020 2 175 18 18 GLN HE22 H 7.860 0.020 2 176 18 18 GLN C C 174.837 0.400 1 177 18 18 GLN CA C 61.123 0.400 1 178 18 18 GLN CB C 28.351 0.400 1 179 18 18 GLN CG C 34.292 0.400 1 180 18 18 GLN N N 118.023 0.400 1 181 18 18 GLN NE2 N 113.221 0.400 1 182 19 19 ASN H H 8.286 0.020 1 183 19 19 ASN HA H 4.500 0.020 1 184 19 19 ASN HB2 H 2.729 0.020 2 185 19 19 ASN HB3 H 2.851 0.020 2 186 19 19 ASN C C 177.221 0.400 1 187 19 19 ASN CA C 56.983 0.400 1 188 19 19 ASN CB C 38.749 0.400 1 189 19 19 ASN N N 117.305 0.400 1 190 20 20 LYS H H 8.161 0.020 1 191 20 20 LYS HA H 3.908 0.020 1 192 20 20 LYS HB2 H 0.957 0.020 2 193 20 20 LYS HB3 H 1.199 0.020 2 194 20 20 LYS HG2 H 1.462 0.020 1 195 20 20 LYS HG3 H 1.462 0.020 1 196 20 20 LYS HD2 H 1.277 0.020 1 197 20 20 LYS HD3 H 1.277 0.020 1 198 20 20 LYS HE2 H 2.735 0.020 1 199 20 20 LYS HE3 H 2.735 0.020 1 200 20 20 LYS C C 177.785 0.400 1 201 20 20 LYS CA C 60.015 0.400 1 202 20 20 LYS CB C 32.590 0.400 1 203 20 20 LYS CG C 25.923 0.400 1 204 20 20 LYS CD C 29.794 0.400 1 205 20 20 LYS CE C 42.135 0.400 1 206 20 20 LYS N N 119.716 0.400 1 207 21 21 VAL H H 8.240 0.020 1 208 21 21 VAL HA H 3.758 0.020 1 209 21 21 VAL HB H 2.246 0.020 1 210 21 21 VAL HG1 H 1.131 0.020 2 211 21 21 VAL HG2 H 0.916 0.020 2 212 21 21 VAL C C 179.785 0.400 1 213 21 21 VAL CA C 68.172 0.400 1 214 21 21 VAL CB C 31.701 0.400 1 215 21 21 VAL CG1 C 25.392 0.400 1 216 21 21 VAL CG2 C 23.535 0.400 1 217 21 21 VAL N N 120.109 0.400 1 218 22 22 TYR H H 8.552 0.020 1 219 22 22 TYR HA H 3.839 0.020 1 220 22 22 TYR HB2 H 3.099 0.020 2 221 22 22 TYR HB3 H 3.276 0.020 2 222 22 22 TYR HD1 H 7.080 0.020 1 223 22 22 TYR HD2 H 7.080 0.020 1 224 22 22 TYR HE1 H 6.879 0.020 1 225 22 22 TYR HE2 H 6.879 0.020 1 226 22 22 TYR C C 177.390 0.400 1 227 22 22 TYR CA C 62.970 0.400 1 228 22 22 TYR CB C 38.696 0.400 1 229 22 22 TYR CD1 C 134.500 0.400 1 230 22 22 TYR CE1 C 119.632 0.400 1 231 22 22 TYR N N 120.101 0.400 1 232 23 23 LYS H H 8.232 0.020 1 233 23 23 LYS HA H 3.758 0.020 1 234 23 23 LYS HB2 H 1.937 0.020 1 235 23 23 LYS HB3 H 1.937 0.020 1 236 23 23 LYS HG2 H 1.503 0.020 1 237 23 23 LYS HG3 H 1.503 0.020 1 238 23 23 LYS HD2 H 1.702 0.020 1 239 23 23 LYS HD3 H 1.702 0.020 1 240 23 23 LYS HE2 H 2.999 0.020 1 241 23 23 LYS HE3 H 2.999 0.020 1 242 23 23 LYS C C 177.128 0.400 1 243 23 23 LYS CA C 60.292 0.400 1 244 23 23 LYS CB C 32.864 0.400 1 245 23 23 LYS CG C 25.969 0.400 1 246 23 23 LYS CD C 29.754 0.400 1 247 23 23 LYS CE C 42.248 0.400 1 248 23 23 LYS N N 115.737 0.400 1 249 24 24 TYR H H 7.980 0.020 1 250 24 24 TYR HA H 4.097 0.020 1 251 24 24 TYR HB2 H 2.969 0.020 2 252 24 24 TYR HB3 H 3.330 0.020 2 253 24 24 TYR HD1 H 6.214 0.020 1 254 24 24 TYR HD2 H 6.214 0.020 1 255 24 24 TYR HE1 H 6.333 0.020 1 256 24 24 TYR HE2 H 6.333 0.020 1 257 24 24 TYR C C 178.407 0.400 1 258 24 24 TYR CA C 62.234 0.400 1 259 24 24 TYR CB C 38.978 0.400 1 260 24 24 TYR CD1 C 134.119 0.400 1 261 24 24 TYR CE1 C 118.581 0.400 1 262 24 24 TYR N N 118.597 0.400 1 263 25 25 PHE H H 7.939 0.020 1 264 25 25 PHE HA H 4.516 0.020 1 265 25 25 PHE HB2 H 2.710 0.020 2 266 25 25 PHE HB3 H 3.547 0.020 2 267 25 25 PHE HD1 H 7.849 0.020 1 268 25 25 PHE HD2 H 7.849 0.020 1 269 25 25 PHE HE1 H 7.272 0.020 1 270 25 25 PHE HE2 H 7.272 0.020 1 271 25 25 PHE C C 177.353 0.400 1 272 25 25 PHE CA C 60.588 0.400 1 273 25 25 PHE CB C 40.928 0.400 1 274 25 25 PHE CD1 C 134.381 0.400 1 275 25 25 PHE CE1 C 131.850 0.400 1 276 25 25 PHE N N 111.305 0.400 1 277 26 26 LYS H H 8.076 0.020 1 278 26 26 LYS HA H 4.049 0.020 1 279 26 26 LYS HB2 H 1.443 0.020 2 280 26 26 LYS HB3 H 1.756 0.020 2 281 26 26 LYS HG2 H 1.346 0.020 1 282 26 26 LYS HG3 H 1.346 0.020 1 283 26 26 LYS HD2 H 1.337 0.020 1 284 26 26 LYS HD3 H 1.337 0.020 1 285 26 26 LYS HE2 H 2.914 0.020 1 286 26 26 LYS HE3 H 2.914 0.020 1 287 26 26 LYS C C 177.407 0.400 1 288 26 26 LYS CA C 60.026 0.400 1 289 26 26 LYS CB C 30.793 0.400 1 290 26 26 LYS CG C 23.647 0.400 1 291 26 26 LYS CD C 29.325 0.400 1 292 26 26 LYS CE C 42.302 0.400 1 293 26 26 LYS N N 121.749 0.400 1 294 27 27 HIS H H 8.195 0.020 1 295 27 27 HIS HA H 4.417 0.020 1 296 27 27 HIS HB2 H 3.146 0.020 2 297 27 27 HIS HB3 H 3.075 0.020 2 298 27 27 HIS C C 177.541 0.400 1 299 27 27 HIS CA C 57.619 0.400 1 300 27 27 HIS CB C 28.457 0.400 1 301 27 27 HIS N N 116.235 0.400 1 302 28 28 CYS H H 8.171 0.020 1 303 28 28 CYS HA H 3.892 0.020 1 304 28 28 CYS HB2 H 3.011 0.020 2 305 28 28 CYS HB3 H 3.397 0.020 2 306 28 28 CYS C C 176.797 0.400 1 307 28 28 CYS CA C 62.697 0.400 1 308 28 28 CYS CB C 28.456 0.400 1 309 28 28 CYS N N 118.844 0.400 1 310 29 29 GLY H H 7.204 0.020 1 311 29 29 GLY HA2 H 4.320 0.020 2 312 29 29 GLY HA3 H 3.947 0.020 2 313 29 29 GLY C C 173.931 0.400 1 314 29 29 GLY CA C 44.477 0.400 1 315 29 29 GLY N N 105.481 0.400 1 316 30 30 PRO HA H 4.453 0.020 1 317 30 30 PRO HB2 H 1.892 0.020 2 318 30 30 PRO HB3 H 2.352 0.020 2 319 30 30 PRO HG2 H 2.102 0.020 1 320 30 30 PRO HG3 H 2.102 0.020 1 321 30 30 PRO HD2 H 3.654 0.020 2 322 30 30 PRO HD3 H 4.516 0.020 2 323 30 30 PRO CA C 64.175 0.400 1 324 30 30 PRO CB C 31.747 0.400 1 325 30 30 PRO CG C 28.268 0.400 1 326 30 30 PRO CD C 49.775 0.400 1 327 31 31 ILE H H 8.690 0.020 1 328 31 31 ILE HA H 3.869 0.020 1 329 31 31 ILE HB H 1.524 0.020 1 330 31 31 ILE HG12 H 1.977 0.020 2 331 31 31 ILE HG13 H -0.212 0.020 2 332 31 31 ILE HG2 H 0.434 0.020 1 333 31 31 ILE HD1 H 0.411 0.020 1 334 31 31 ILE C C 177.140 0.400 1 335 31 31 ILE CA C 62.066 0.400 1 336 31 31 ILE CB C 41.787 0.400 1 337 31 31 ILE CG1 C 29.251 0.400 1 338 31 31 ILE CG2 C 18.577 0.400 1 339 31 31 ILE CD1 C 13.662 0.400 1 340 31 31 ILE N N 126.411 0.400 1 341 32 32 ILE H H 9.075 0.020 1 342 32 32 ILE HA H 4.135 0.020 1 343 32 32 ILE HB H 1.596 0.020 1 344 32 32 ILE HG12 H 1.277 0.020 2 345 32 32 ILE HG13 H 1.001 0.020 2 346 32 32 ILE HG2 H 0.703 0.020 1 347 32 32 ILE HD1 H 0.737 0.020 1 348 32 32 ILE C C 175.912 0.400 1 349 32 32 ILE CA C 61.761 0.400 1 350 32 32 ILE CB C 38.044 0.400 1 351 32 32 ILE CG1 C 26.739 0.400 1 352 32 32 ILE CG2 C 17.029 0.400 1 353 32 32 ILE CD1 C 11.288 0.400 1 354 32 32 ILE N N 125.382 0.400 1 355 33 33 HIS H H 7.405 0.020 1 356 33 33 HIS HA H 4.751 0.020 1 357 33 33 HIS HB2 H 2.956 0.020 2 358 33 33 HIS HB3 H 3.061 0.020 2 359 33 33 HIS C C 176.052 0.400 1 360 33 33 HIS CA C 57.038 0.400 1 361 33 33 HIS CB C 33.450 0.400 1 362 33 33 HIS N N 116.218 0.400 1 363 34 34 VAL H H 7.871 0.020 1 364 34 34 VAL HA H 4.782 0.020 1 365 34 34 VAL HB H 1.771 0.020 1 366 34 34 VAL HG1 H 0.799 0.020 2 367 34 34 VAL HG2 H 0.746 0.020 2 368 34 34 VAL C C 172.191 0.400 1 369 34 34 VAL CA C 61.679 0.400 1 370 34 34 VAL CB C 35.878 0.400 1 371 34 34 VAL CG1 C 22.039 0.400 1 372 34 34 VAL CG2 C 22.493 0.400 1 373 34 34 VAL N N 123.945 0.400 1 374 35 35 ASP H H 8.873 0.020 1 375 35 35 ASP HA H 5.236 0.020 1 376 35 35 ASP HB2 H 2.347 0.020 2 377 35 35 ASP HB3 H 2.858 0.020 2 378 35 35 ASP C C 173.703 0.400 1 379 35 35 ASP CA C 53.815 0.400 1 380 35 35 ASP CB C 46.625 0.400 1 381 35 35 ASP N N 123.916 0.400 1 382 36 36 VAL H H 8.959 0.020 1 383 36 36 VAL HA H 5.245 0.020 1 384 36 36 VAL HB H 1.976 0.020 1 385 36 36 VAL HG1 H 0.810 0.020 2 386 36 36 VAL HG2 H 0.869 0.020 2 387 36 36 VAL C C 175.308 0.400 1 388 36 36 VAL CA C 60.453 0.400 1 389 36 36 VAL CB C 35.422 0.400 1 390 36 36 VAL CG1 C 20.665 0.400 1 391 36 36 VAL CG2 C 22.017 0.400 1 392 36 36 VAL N N 117.127 0.400 1 393 37 37 ALA H H 8.774 0.020 1 394 37 37 ALA HA H 4.837 0.020 1 395 37 37 ALA HB H 1.304 0.020 1 396 37 37 ALA C C 174.697 0.400 1 397 37 37 ALA CA C 51.342 0.400 1 398 37 37 ALA CB C 23.902 0.400 1 399 37 37 ALA N N 125.136 0.400 1 400 38 38 ASP H H 8.756 0.020 1 401 38 38 ASP HA H 4.813 0.020 1 402 38 38 ASP HB2 H 2.546 0.020 2 403 38 38 ASP HB3 H 2.807 0.020 2 404 38 38 ASP C C 176.058 0.400 1 405 38 38 ASP CA C 55.704 0.400 1 406 38 38 ASP CB C 42.919 0.400 1 407 38 38 ASP N N 121.861 0.400 1 408 39 39 SER H H 7.973 0.020 1 409 39 39 SER HA H 4.348 0.020 1 410 39 39 SER HB2 H 3.619 0.020 1 411 39 39 SER HB3 H 3.619 0.020 1 412 39 39 SER C C 176.218 0.400 1 413 39 39 SER CA C 58.141 0.400 1 414 39 39 SER CB C 63.594 0.400 1 415 39 39 SER N N 112.746 0.400 1 416 40 40 LEU H H 9.117 0.020 1 417 40 40 LEU HA H 4.014 0.020 1 418 40 40 LEU HB2 H 1.559 0.020 2 419 40 40 LEU HB3 H 1.690 0.020 2 420 40 40 LEU HD1 H 0.819 0.020 2 421 40 40 LEU HD2 H 0.869 0.020 2 422 40 40 LEU C C 176.368 0.400 1 423 40 40 LEU CA C 58.461 0.400 1 424 40 40 LEU CB C 42.019 0.400 1 425 40 40 LEU CD1 C 23.460 0.400 1 426 40 40 LEU CD2 C 24.701 0.400 1 427 40 40 LEU N N 123.616 0.400 1 428 41 41 LYS H H 8.172 0.020 1 429 41 41 LYS HA H 4.370 0.020 1 430 41 41 LYS HB2 H 1.680 0.020 2 431 41 41 LYS HB3 H 1.960 0.020 2 432 41 41 LYS HG2 H 1.339 0.020 2 433 41 41 LYS HG3 H 1.450 0.020 2 434 41 41 LYS HD2 H 1.626 0.020 1 435 41 41 LYS HD3 H 1.626 0.020 1 436 41 41 LYS HE2 H 2.983 0.020 1 437 41 41 LYS HE3 H 2.983 0.020 1 438 41 41 LYS C C 179.139 0.400 1 439 41 41 LYS CA C 55.654 0.400 1 440 41 41 LYS CB C 31.793 0.400 1 441 41 41 LYS CG C 25.371 0.400 1 442 41 41 LYS CD C 28.910 0.400 1 443 41 41 LYS CE C 42.410 0.400 1 444 41 41 LYS N N 114.362 0.400 1 445 42 42 LYS H H 7.944 0.020 1 446 42 42 LYS HA H 3.810 0.020 1 447 42 42 LYS HB2 H 1.862 0.020 1 448 42 42 LYS HB3 H 1.862 0.020 1 449 42 42 LYS C C 176.043 0.400 1 450 42 42 LYS CA C 57.482 0.400 1 451 42 42 LYS CB C 29.964 0.400 1 452 42 42 LYS N N 115.394 0.400 1 453 43 43 ASN H H 8.182 0.020 1 454 43 43 ASN HA H 4.699 0.020 1 455 43 43 ASN HB2 H 2.744 0.020 2 456 43 43 ASN HB3 H 2.908 0.020 2 457 43 43 ASN HD21 H 7.232 0.020 2 458 43 43 ASN HD22 H 7.856 0.020 2 459 43 43 ASN CA C 53.727 0.400 1 460 43 43 ASN CB C 38.025 0.400 1 461 43 43 ASN N N 112.529 0.400 1 462 43 43 ASN ND2 N 114.376 0.400 1 463 44 44 PHE H H 7.879 0.020 1 464 44 44 PHE HA H 4.672 0.020 1 465 44 44 PHE HB2 H 3.156 0.020 2 466 44 44 PHE HB3 H 3.042 0.020 2 467 44 44 PHE HD1 H 6.893 0.020 1 468 44 44 PHE HD2 H 6.893 0.020 1 469 44 44 PHE HE1 H 6.505 0.020 1 470 44 44 PHE HE2 H 6.505 0.020 1 471 44 44 PHE C C 178.413 0.400 1 472 44 44 PHE CA C 56.957 0.400 1 473 44 44 PHE CB C 40.060 0.400 1 474 44 44 PHE CD1 C 133.683 0.400 1 475 44 44 PHE CE1 C 132.355 0.400 1 476 44 44 PHE N N 116.309 0.400 1 477 45 45 ARG H H 9.229 0.020 1 478 45 45 ARG HA H 5.166 0.020 1 479 45 45 ARG HB2 H 1.439 0.020 2 480 45 45 ARG HB3 H 1.742 0.020 2 481 45 45 ARG HG2 H 1.533 0.020 1 482 45 45 ARG HG3 H 1.533 0.020 1 483 45 45 ARG C C 172.569 0.400 1 484 45 45 ARG CA C 55.597 0.400 1 485 45 45 ARG CB C 34.484 0.400 1 486 45 45 ARG CG C 29.559 0.400 1 487 45 45 ARG CD C 43.832 0.400 1 488 45 45 ARG N N 118.904 0.400 1 489 46 46 PHE H H 9.405 0.020 1 490 46 46 PHE HA H 5.692 0.020 1 491 46 46 PHE HB2 H 2.631 0.020 2 492 46 46 PHE HB3 H 3.038 0.020 2 493 46 46 PHE HD1 H 7.249 0.020 1 494 46 46 PHE HD2 H 7.249 0.020 1 495 46 46 PHE HE1 H 7.119 0.020 1 496 46 46 PHE HE2 H 7.119 0.020 1 497 46 46 PHE C C 175.261 0.400 1 498 46 46 PHE CA C 56.507 0.400 1 499 46 46 PHE CB C 44.646 0.400 1 500 46 46 PHE CD1 C 130.000 0.400 1 501 46 46 PHE CE1 C 131.911 0.400 1 502 46 46 PHE N N 119.227 0.400 1 503 47 47 ALA H H 9.401 0.020 1 504 47 47 ALA HA H 5.611 0.020 1 505 47 47 ALA HB H 1.193 0.020 1 506 47 47 ALA C C 176.326 0.400 1 507 47 47 ALA CA C 50.869 0.400 1 508 47 47 ALA CB C 23.733 0.400 1 509 47 47 ALA N N 117.295 0.400 1 510 48 48 ARG H H 9.142 0.020 1 511 48 48 ARG HA H 5.266 0.020 1 512 48 48 ARG HB2 H 1.409 0.020 1 513 48 48 ARG HB3 H 1.409 0.020 1 514 48 48 ARG C C 174.680 0.400 1 515 48 48 ARG CA C 53.918 0.400 1 516 48 48 ARG CB C 33.968 0.400 1 517 48 48 ARG CG C 28.082 0.400 1 518 48 48 ARG CD C 43.539 0.400 1 519 48 48 ARG N N 122.911 0.400 1 520 49 49 ILE H H 8.991 0.020 1 521 49 49 ILE HA H 4.578 0.020 1 522 49 49 ILE HB H 1.350 0.020 1 523 49 49 ILE HG12 H 0.480 0.020 2 524 49 49 ILE HG13 H 1.108 0.020 2 525 49 49 ILE HG2 H -0.121 0.020 1 526 49 49 ILE HD1 H -0.084 0.020 1 527 49 49 ILE C C 175.411 0.400 1 528 49 49 ILE CA C 61.095 0.400 1 529 49 49 ILE CB C 40.002 0.400 1 530 49 49 ILE CG1 C 26.432 0.400 1 531 49 49 ILE CG2 C 18.907 0.400 1 532 49 49 ILE CD1 C 15.149 0.400 1 533 49 49 ILE N N 126.397 0.400 1 534 50 50 GLU H H 8.709 0.020 1 535 50 50 GLU HA H 4.781 0.020 1 536 50 50 GLU HB2 H 1.754 0.020 2 537 50 50 GLU HB3 H 1.906 0.020 2 538 50 50 GLU HG2 H 1.967 0.020 2 539 50 50 GLU HG3 H 2.240 0.020 2 540 50 50 GLU C C 173.765 0.400 1 541 50 50 GLU CA C 54.939 0.400 1 542 50 50 GLU CB C 31.541 0.400 1 543 50 50 GLU CG C 35.220 0.400 1 544 50 50 GLU N N 128.148 0.400 1 545 51 51 PHE H H 8.948 0.020 1 546 51 51 PHE HA H 4.577 0.020 1 547 51 51 PHE HB2 H 3.033 0.020 2 548 51 51 PHE HB3 H 3.831 0.020 2 549 51 51 PHE HD1 H 7.162 0.020 1 550 51 51 PHE HD2 H 7.162 0.020 1 551 51 51 PHE HE1 H 7.338 0.020 1 552 51 51 PHE HE2 H 7.338 0.020 1 553 51 51 PHE C C 175.609 0.400 1 554 51 51 PHE CA C 59.998 0.400 1 555 51 51 PHE CB C 39.753 0.400 1 556 51 51 PHE CD1 C 128.054 0.400 1 557 51 51 PHE CE1 C 132.809 0.400 1 558 51 51 PHE N N 126.912 0.400 1 559 52 52 ALA H H 8.567 0.020 1 560 52 52 ALA HA H 4.105 0.020 1 561 52 52 ALA HB H 1.440 0.020 1 562 52 52 ALA C C 175.279 0.400 1 563 52 52 ALA CA C 54.741 0.400 1 564 52 52 ALA CB C 19.545 0.400 1 565 52 52 ALA N N 121.386 0.400 1 566 53 53 ARG H H 8.697 0.020 1 567 53 53 ARG HA H 4.841 0.020 1 568 53 53 ARG HB2 H 1.837 0.020 2 569 53 53 ARG HB3 H 2.099 0.020 2 570 53 53 ARG HG2 H 1.664 0.020 2 571 53 53 ARG HG3 H 1.739 0.020 2 572 53 53 ARG HD2 H 3.356 0.020 2 573 53 53 ARG HD3 H 3.285 0.020 2 574 53 53 ARG C C 177.912 0.400 1 575 53 53 ARG CA C 54.557 0.400 1 576 53 53 ARG CB C 35.625 0.400 1 577 53 53 ARG CG C 27.755 0.400 1 578 53 53 ARG CD C 43.561 0.400 1 579 53 53 ARG N N 114.132 0.400 1 580 54 54 TYR H H 9.141 0.020 1 581 54 54 TYR HA H 4.280 0.020 1 582 54 54 TYR HB2 H 2.970 0.020 2 583 54 54 TYR HB3 H 3.206 0.020 2 584 54 54 TYR HD1 H 7.155 0.020 1 585 54 54 TYR HD2 H 7.155 0.020 1 586 54 54 TYR HE1 H 6.828 0.020 1 587 54 54 TYR HE2 H 6.828 0.020 1 588 54 54 TYR C C 177.646 0.400 1 589 54 54 TYR CA C 60.845 0.400 1 590 54 54 TYR CB C 38.130 0.400 1 591 54 54 TYR CD1 C 134.514 0.400 1 592 54 54 TYR CE1 C 119.368 0.400 1 593 54 54 TYR N N 122.451 0.400 1 594 55 55 ASP H H 8.114 0.020 1 595 55 55 ASP HA H 3.889 0.020 1 596 55 55 ASP HB2 H 2.340 0.020 2 597 55 55 ASP HB3 H 2.581 0.020 2 598 55 55 ASP C C 176.547 0.400 1 599 55 55 ASP CA C 56.405 0.400 1 600 55 55 ASP CB C 38.564 0.400 1 601 55 55 ASP N N 117.944 0.400 1 602 56 56 GLY H H 7.549 0.020 1 603 56 56 GLY HA2 H 3.396 0.020 2 604 56 56 GLY HA3 H 3.670 0.020 2 605 56 56 GLY C C 178.689 0.400 1 606 56 56 GLY CA C 46.439 0.400 1 607 56 56 GLY N N 111.601 0.400 1 608 57 57 ALA H H 6.283 0.020 1 609 57 57 ALA HA H 3.364 0.020 1 610 57 57 ALA HB H 1.366 0.020 1 611 57 57 ALA C C 173.668 0.400 1 612 57 57 ALA CA C 54.762 0.400 1 613 57 57 ALA CB C 17.822 0.400 1 614 57 57 ALA N N 121.630 0.400 1 615 58 58 LEU H H 7.783 0.020 1 616 58 58 LEU HA H 3.828 0.020 1 617 58 58 LEU HB2 H 1.386 0.020 2 618 58 58 LEU HB3 H 1.589 0.020 2 619 58 58 LEU HD1 H 0.896 0.020 2 620 58 58 LEU C C 178.989 0.400 1 621 58 58 LEU CA C 57.888 0.400 1 622 58 58 LEU CB C 41.627 0.400 1 623 58 58 LEU CG C 25.829 0.400 1 624 58 58 LEU CD1 C 22.894 0.400 1 625 58 58 LEU CD2 C 24.854 0.400 1 626 58 58 LEU N N 114.995 0.400 1 627 59 59 ALA H H 7.495 0.020 1 628 59 59 ALA HA H 4.168 0.020 1 629 59 59 ALA HB H 1.486 0.020 1 630 59 59 ALA C C 180.070 0.400 1 631 59 59 ALA CA C 54.951 0.400 1 632 59 59 ALA CB C 17.631 0.400 1 633 59 59 ALA N N 121.144 0.400 1 634 60 60 ALA H H 7.963 0.020 1 635 60 60 ALA HA H 4.409 0.020 1 636 60 60 ALA HB H 1.508 0.020 1 637 60 60 ALA C C 180.914 0.400 1 638 60 60 ALA CA C 56.113 0.400 1 639 60 60 ALA CB C 19.016 0.400 1 640 60 60 ALA N N 123.977 0.400 1 641 61 61 ILE H H 7.822 0.020 1 642 61 61 ILE HA H 3.531 0.020 1 643 61 61 ILE HB H 1.857 0.020 1 644 61 61 ILE HG12 H 0.763 0.020 2 645 61 61 ILE HG13 H 1.496 0.020 2 646 61 61 ILE HG2 H 0.895 0.020 1 647 61 61 ILE HD1 H 0.158 0.020 1 648 61 61 ILE C C 179.815 0.400 1 649 61 61 ILE CA C 64.817 0.400 1 650 61 61 ILE CB C 38.057 0.400 1 651 61 61 ILE CG1 C 30.193 0.400 1 652 61 61 ILE CG2 C 17.255 0.400 1 653 61 61 ILE CD1 C 12.262 0.400 1 654 61 61 ILE N N 118.099 0.400 1 655 62 62 THR H H 7.556 0.020 1 656 62 62 THR HA H 4.365 0.020 1 657 62 62 THR HB H 4.451 0.020 1 658 62 62 THR HG2 H 1.441 0.020 1 659 62 62 THR CA C 64.820 0.400 1 660 62 62 THR CB C 69.831 0.400 1 661 62 62 THR CG2 C 21.649 0.400 1 662 62 62 THR N N 110.751 0.400 1 663 63 63 LYS H H 8.037 0.020 1 664 63 63 LYS HA H 4.357 0.020 1 665 63 63 LYS HB2 H 1.932 0.020 1 666 63 63 LYS HB3 H 1.932 0.020 1 667 63 63 LYS HD2 H 1.463 0.020 1 668 63 63 LYS HD3 H 1.463 0.020 1 669 63 63 LYS C C 175.715 0.400 1 670 63 63 LYS CA C 55.260 0.400 1 671 63 63 LYS CB C 29.905 0.400 1 672 63 63 LYS CG C 25.284 0.400 1 673 63 63 LYS CD C 28.167 0.400 1 674 63 63 LYS CE C 42.277 0.400 1 675 63 63 LYS N N 119.409 0.400 1 676 64 64 THR H H 7.695 0.020 1 677 64 64 THR HA H 3.926 0.020 1 678 64 64 THR HB H 4.514 0.020 1 679 64 64 THR HG2 H 1.297 0.020 1 680 64 64 THR C C 175.175 0.400 1 681 64 64 THR CA C 64.522 0.400 1 682 64 64 THR CB C 69.095 0.400 1 683 64 64 THR CG2 C 21.557 0.400 1 684 64 64 THR N N 113.924 0.400 1 685 65 65 HIS H H 8.913 0.020 1 686 65 65 HIS HA H 4.340 0.020 1 687 65 65 HIS HB2 H 3.495 0.020 2 688 65 65 HIS HB3 H 3.711 0.020 2 689 65 65 HIS CA C 59.296 0.400 1 690 65 65 HIS CB C 26.575 0.400 1 691 65 65 HIS N N 118.784 0.400 1 692 66 66 LYS H H 7.851 0.020 1 693 66 66 LYS N N 119.519 0.400 1 694 67 67 VAL HA H 4.513 0.020 1 695 67 67 VAL HB H 1.794 0.020 1 696 67 67 VAL HG1 H 0.566 0.020 2 697 67 67 VAL HG2 H 0.815 0.020 2 698 67 67 VAL CA C 62.088 0.400 1 699 67 67 VAL CB C 32.122 0.400 1 700 67 67 VAL CG1 C 21.270 0.400 1 701 67 67 VAL CG2 C 21.685 0.400 1 702 68 68 VAL H H 9.072 0.020 1 703 68 68 VAL HA H 3.931 0.020 1 704 68 68 VAL HB H 1.497 0.020 1 705 68 68 VAL HG1 H 0.241 0.020 2 706 68 68 VAL HG2 H 0.303 0.020 2 707 68 68 VAL C C 176.588 0.400 1 708 68 68 VAL CA C 61.883 0.400 1 709 68 68 VAL CB C 32.997 0.400 1 710 68 68 VAL CG1 C 21.109 0.400 1 711 68 68 VAL CG2 C 20.834 0.400 1 712 68 68 VAL N N 131.687 0.400 1 713 69 69 GLY H H 8.777 0.020 1 714 69 69 GLY HA2 H 3.925 0.020 2 715 69 69 GLY HA3 H 3.619 0.020 2 716 69 69 GLY C C 175.808 0.400 1 717 69 69 GLY CA C 47.590 0.400 1 718 69 69 GLY N N 115.808 0.400 1 719 70 70 GLN H H 8.654 0.020 1 720 70 70 GLN HA H 4.204 0.020 1 721 70 70 GLN HB2 H 1.988 0.020 2 722 70 70 GLN HB3 H 2.315 0.020 2 723 70 70 GLN HG2 H 2.323 0.020 1 724 70 70 GLN HG3 H 2.323 0.020 1 725 70 70 GLN C C 174.244 0.400 1 726 70 70 GLN CA C 56.173 0.400 1 727 70 70 GLN CB C 29.130 0.400 1 728 70 70 GLN CG C 34.505 0.400 1 729 70 70 GLN N N 122.256 0.400 1 730 71 71 ASN H H 8.171 0.020 1 731 71 71 ASN HA H 4.685 0.020 1 732 71 71 ASN HB2 H 2.725 0.020 2 733 71 71 ASN HB3 H 2.943 0.020 2 734 71 71 ASN HD21 H 6.431 0.020 2 735 71 71 ASN HD22 H 7.091 0.020 2 736 71 71 ASN C C 175.256 0.400 1 737 71 71 ASN CA C 52.694 0.400 1 738 71 71 ASN CB C 39.287 0.400 1 739 71 71 ASN N N 121.628 0.400 1 740 71 71 ASN ND2 N 109.750 0.400 1 741 72 72 GLU H H 8.663 0.020 1 742 72 72 GLU HA H 4.589 0.020 1 743 72 72 GLU HB2 H 1.818 0.020 2 744 72 72 GLU HB3 H 1.899 0.020 2 745 72 72 GLU HG2 H 1.946 0.020 2 746 72 72 GLU HG3 H 2.110 0.020 2 747 72 72 GLU C C 173.075 0.400 1 748 72 72 GLU CA C 55.769 0.400 1 749 72 72 GLU CB C 30.109 0.400 1 750 72 72 GLU CG C 36.512 0.400 1 751 72 72 GLU N N 123.668 0.400 1 752 73 73 ILE H H 8.656 0.020 1 753 73 73 ILE HA H 4.799 0.020 1 754 73 73 ILE HB H 1.676 0.020 1 755 73 73 ILE HG2 H 0.608 0.020 1 756 73 73 ILE HD1 H 0.686 0.020 1 757 73 73 ILE C C 176.797 0.400 1 758 73 73 ILE CA C 61.009 0.400 1 759 73 73 ILE CB C 40.924 0.400 1 760 73 73 ILE CG1 C 21.678 0.400 1 761 73 73 ILE CG2 C 17.311 0.400 1 762 73 73 ILE CD1 C 14.480 0.400 1 763 73 73 ILE N N 123.619 0.400 1 764 74 74 ILE H H 7.704 0.020 1 765 74 74 ILE HA H 4.520 0.020 1 766 74 74 ILE HB H 1.556 0.020 1 767 74 74 ILE HG12 H 1.052 0.020 2 768 74 74 ILE HG13 H 1.344 0.020 2 769 74 74 ILE HG2 H 0.874 0.020 1 770 74 74 ILE HD1 H 0.652 0.020 1 771 74 74 ILE C C 175.075 0.400 1 772 74 74 ILE CA C 59.595 0.400 1 773 74 74 ILE CB C 40.790 0.400 1 774 74 74 ILE CG1 C 27.090 0.400 1 775 74 74 ILE CG2 C 17.365 0.400 1 776 74 74 ILE CD1 C 11.842 0.400 1 777 74 74 ILE N N 119.249 0.400 1 778 75 75 VAL H H 8.721 0.020 1 779 75 75 VAL HA H 5.325 0.020 1 780 75 75 VAL HB H 1.991 0.020 1 781 75 75 VAL HG1 H 0.762 0.020 2 782 75 75 VAL HG2 H 1.033 0.020 2 783 75 75 VAL C C 175.777 0.400 1 784 75 75 VAL CA C 60.987 0.400 1 785 75 75 VAL CB C 34.879 0.400 1 786 75 75 VAL CG1 C 22.276 0.400 1 787 75 75 VAL CG2 C 21.415 0.400 1 788 75 75 VAL N N 128.310 0.400 1 789 76 76 SER H H 8.989 0.020 1 790 76 76 SER HA H 4.800 0.020 1 791 76 76 SER HB2 H 3.832 0.020 2 792 76 76 SER HB3 H 4.059 0.020 2 793 76 76 SER C C 174.069 0.400 1 794 76 76 SER CA C 57.127 0.400 1 795 76 76 SER CB C 66.926 0.400 1 796 76 76 SER N N 118.739 0.400 1 797 77 77 HIS H H 9.012 0.020 1 798 77 77 HIS HA H 4.609 0.020 1 799 77 77 HIS HB2 H 3.003 0.020 2 800 77 77 HIS HB3 H 3.072 0.020 2 801 77 77 HIS C C 173.866 0.400 1 802 77 77 HIS CA C 59.731 0.400 1 803 77 77 HIS CB C 31.595 0.400 1 804 77 77 HIS N N 119.679 0.400 1 805 78 78 LEU H H 8.459 0.020 1 806 78 78 LEU HA H 4.593 0.020 1 807 78 78 LEU HB2 H 0.989 0.020 2 808 78 78 LEU HB3 H 1.817 0.020 2 809 78 78 LEU HG H 0.765 0.020 1 810 78 78 LEU HD2 H 0.949 0.020 2 811 78 78 LEU C C 175.950 0.400 1 812 78 78 LEU CA C 54.789 0.400 1 813 78 78 LEU CB C 42.384 0.400 1 814 78 78 LEU CG C 26.945 0.400 1 815 78 78 LEU CD1 C 25.257 0.400 1 816 78 78 LEU CD2 C 25.411 0.400 1 817 78 78 LEU N N 126.347 0.400 1 818 79 79 THR H H 7.932 0.020 1 819 79 79 THR HA H 4.578 0.020 1 820 79 79 THR HB H 4.094 0.020 1 821 79 79 THR HG2 H 1.132 0.020 1 822 79 79 THR C C 174.936 0.400 1 823 79 79 THR CA C 60.836 0.400 1 824 79 79 THR CB C 71.009 0.400 1 825 79 79 THR CG2 C 21.793 0.400 1 826 79 79 THR N N 119.631 0.400 1 827 80 80 GLU H H 9.003 0.020 1 828 80 80 GLU HA H 4.036 0.020 1 829 80 80 GLU HB2 H 2.253 0.020 2 830 80 80 GLU HB3 H 2.338 0.020 2 831 80 80 GLU HG2 H 2.240 0.020 1 832 80 80 GLU HG3 H 2.240 0.020 1 833 80 80 GLU C C 172.598 0.400 1 834 80 80 GLU CA C 58.604 0.400 1 835 80 80 GLU CB C 27.994 0.400 1 836 80 80 GLU CG C 38.049 0.400 1 837 80 80 GLU N N 119.776 0.400 1 838 81 81 CYS H H 8.185 0.020 1 839 81 81 CYS HA H 4.490 0.020 1 840 81 81 CYS HB2 H 2.367 0.020 2 841 81 81 CYS HB3 H 3.170 0.020 2 842 81 81 CYS C C 174.766 0.400 1 843 81 81 CYS CA C 59.456 0.400 1 844 81 81 CYS CB C 30.235 0.400 1 845 81 81 CYS N N 112.871 0.400 1 846 82 82 THR H H 8.125 0.020 1 847 82 82 THR HA H 5.545 0.020 1 848 82 82 THR HB H 3.946 0.020 1 849 82 82 THR HG2 H 1.339 0.020 1 850 82 82 THR C C 173.180 0.400 1 851 82 82 THR CA C 62.503 0.400 1 852 82 82 THR CB C 71.072 0.400 1 853 82 82 THR CG2 C 22.165 0.400 1 854 82 82 THR N N 116.867 0.400 1 855 83 83 LEU H H 10.100 0.020 1 856 83 83 LEU HA H 5.145 0.020 1 857 83 83 LEU HB2 H 1.381 0.020 2 858 83 83 LEU HB3 H 1.825 0.020 2 859 83 83 LEU HG H 1.725 0.020 1 860 83 83 LEU HD1 H 1.000 0.020 2 861 83 83 LEU HD2 H 0.871 0.020 2 862 83 83 LEU C C 173.862 0.400 1 863 83 83 LEU CA C 53.534 0.400 1 864 83 83 LEU CB C 45.522 0.400 1 865 83 83 LEU CG C 27.032 0.400 1 866 83 83 LEU CD1 C 24.803 0.400 1 867 83 83 LEU CD2 C 25.402 0.400 1 868 83 83 LEU N N 127.449 0.400 1 869 84 84 TRP H H 9.258 0.020 1 870 84 84 TRP HA H 5.492 0.020 1 871 84 84 TRP HB2 H 2.959 0.020 1 872 84 84 TRP HB3 H 2.959 0.020 1 873 84 84 TRP HD1 H 6.504 0.020 1 874 84 84 TRP HE1 H 9.142 0.020 1 875 84 84 TRP HE3 H 7.179 0.020 1 876 84 84 TRP HZ2 H 7.131 0.020 1 877 84 84 TRP HZ3 H 6.734 0.020 1 878 84 84 TRP HH2 H 6.951 0.020 1 879 84 84 TRP C C 175.093 0.400 1 880 84 84 TRP CA C 55.892 0.400 1 881 84 84 TRP CB C 32.662 0.400 1 882 84 84 TRP CD1 C 127.975 0.400 1 883 84 84 TRP CZ2 C 115.064 0.400 1 884 84 84 TRP CZ3 C 122.722 0.400 1 885 84 84 TRP CH2 C 125.513 0.400 1 886 84 84 TRP N N 121.327 0.400 1 887 84 84 TRP NE1 N 128.616 0.400 1 888 85 85 MET H H 8.739 0.020 1 889 85 85 MET HA H 5.581 0.020 1 890 85 85 MET HB2 H 1.801 0.020 2 891 85 85 MET HB3 H 1.780 0.020 2 892 85 85 MET HG2 H 2.455 0.020 2 893 85 85 MET HG3 H 2.384 0.020 2 894 85 85 MET HE H 1.760 0.020 1 895 85 85 MET C C 174.819 0.400 1 896 85 85 MET CA C 53.669 0.400 1 897 85 85 MET CB C 39.103 0.400 1 898 85 85 MET CG C 31.698 0.400 1 899 85 85 MET CE C 16.943 0.400 1 900 85 85 MET N N 124.238 0.400 1 901 86 86 THR H H 8.760 0.020 1 902 86 86 THR HA H 4.363 0.020 1 903 86 86 THR HB H 3.260 0.020 1 904 86 86 THR HG2 H 0.789 0.020 1 905 86 86 THR C C 174.546 0.400 1 906 86 86 THR CA C 60.562 0.400 1 907 86 86 THR CB C 70.355 0.400 1 908 86 86 THR CG2 C 19.188 0.400 1 909 86 86 THR N N 116.128 0.400 1 910 87 87 ASN H H 8.073 0.020 1 911 87 87 ASN HA H 4.086 0.020 1 912 87 87 ASN HB2 H 3.697 0.020 2 913 87 87 ASN HB3 H 2.598 0.020 2 914 87 87 ASN C C 171.203 0.400 1 915 87 87 ASN CA C 54.453 0.400 1 916 87 87 ASN CB C 38.298 0.400 1 917 87 87 ASN N N 118.898 0.400 1 918 88 88 PHE H H 6.030 0.020 1 919 88 88 PHE HA H 4.508 0.020 1 920 88 88 PHE HB2 H 2.393 0.020 2 921 88 88 PHE HB3 H 2.502 0.020 2 922 88 88 PHE HD1 H 6.716 0.020 1 923 88 88 PHE HD2 H 6.716 0.020 1 924 88 88 PHE HE1 H 6.986 0.020 1 925 88 88 PHE HE2 H 6.986 0.020 1 926 88 88 PHE C C 172.312 0.400 1 927 88 88 PHE CA C 52.222 0.400 1 928 88 88 PHE CB C 37.288 0.400 1 929 88 88 PHE CD1 C 134.024 0.400 1 930 88 88 PHE CE1 C 134.499 0.400 1 931 88 88 PHE N N 108.544 0.400 1 932 89 89 PRO HG2 H 1.737 0.020 2 933 89 89 PRO HG3 H 1.488 0.020 2 934 89 89 PRO HD2 H 3.062 0.020 2 935 89 89 PRO HD3 H 2.056 0.020 2 936 89 89 PRO CA C 61.068 0.400 1 937 89 89 PRO CB C 32.140 0.400 1 938 89 89 PRO CG C 28.389 0.400 1 939 89 89 PRO CD C 49.579 0.400 1 940 90 90 PRO HA H 4.210 0.020 1 941 90 90 PRO HB2 H 1.975 0.020 2 942 90 90 PRO HB3 H 2.248 0.020 2 943 90 90 PRO HG2 H 1.980 0.020 2 944 90 90 PRO HG3 H 2.067 0.020 2 945 90 90 PRO HD2 H 3.189 0.020 2 946 90 90 PRO HD3 H 3.557 0.020 2 947 90 90 PRO C C 176.903 0.400 1 948 90 90 PRO CA C 65.059 0.400 1 949 90 90 PRO CB C 31.842 0.400 1 950 90 90 PRO CG C 27.603 0.400 1 951 90 90 PRO CD C 51.770 0.400 1 952 91 91 SER H H 7.575 0.020 1 953 91 91 SER HA H 4.306 0.020 1 954 91 91 SER HB2 H 4.117 0.020 2 955 91 91 SER HB3 H 4.088 0.020 2 956 91 91 SER C C 176.903 0.400 1 957 91 91 SER CA C 58.599 0.400 1 958 91 91 SER CB C 63.866 0.400 1 959 91 91 SER N N 108.892 0.400 1 960 92 92 TYR H H 8.021 0.020 1 961 92 92 TYR HA H 4.525 0.020 1 962 92 92 TYR HB2 H 2.360 0.020 2 963 92 92 TYR HB3 H 3.570 0.020 2 964 92 92 TYR HD1 H 6.628 0.020 1 965 92 92 TYR HD2 H 6.628 0.020 1 966 92 92 TYR HE1 H 6.607 0.020 1 967 92 92 TYR HE2 H 6.607 0.020 1 968 92 92 TYR C C 175.506 0.400 1 969 92 92 TYR CA C 58.919 0.400 1 970 92 92 TYR CB C 38.703 0.400 1 971 92 92 TYR CD1 C 132.247 0.400 1 972 92 92 TYR CE1 C 119.243 0.400 1 973 92 92 TYR N N 124.527 0.400 1 974 93 93 THR H H 8.777 0.020 1 975 93 93 THR HA H 4.552 0.020 1 976 93 93 THR HB H 4.637 0.020 1 977 93 93 THR HG2 H 1.286 0.020 1 978 93 93 THR C C 176.919 0.400 1 979 93 93 THR CA C 59.742 0.400 1 980 93 93 THR CB C 72.729 0.400 1 981 93 93 THR CG2 C 21.443 0.400 1 982 93 93 THR N N 112.753 0.400 1 983 94 94 GLN H H 9.258 0.020 1 984 94 94 GLN HA H 3.604 0.020 1 985 94 94 GLN HB2 H 2.010 0.020 2 986 94 94 GLN HB3 H 2.114 0.020 2 987 94 94 GLN HG2 H 2.292 0.020 2 988 94 94 GLN HG3 H 2.352 0.020 2 989 94 94 GLN HE21 H 7.099 0.020 2 990 94 94 GLN HE22 H 7.682 0.020 2 991 94 94 GLN C C 175.698 0.400 1 992 94 94 GLN CA C 60.699 0.400 1 993 94 94 GLN CB C 28.162 0.400 1 994 94 94 GLN CG C 34.218 0.400 1 995 94 94 GLN N N 118.617 0.400 1 996 94 94 GLN NE2 N 112.531 0.400 1 997 95 95 ARG H H 7.940 0.020 1 998 95 95 ARG HA H 3.875 0.020 1 999 95 95 ARG HB2 H 1.567 0.020 2 1000 95 95 ARG HB3 H 1.785 0.020 2 1001 95 95 ARG HG2 H 1.504 0.020 1 1002 95 95 ARG HG3 H 1.504 0.020 1 1003 95 95 ARG HD2 H 3.082 0.020 1 1004 95 95 ARG HD3 H 3.082 0.020 1 1005 95 95 ARG C C 177.186 0.400 1 1006 95 95 ARG CA C 58.911 0.400 1 1007 95 95 ARG CB C 29.869 0.400 1 1008 95 95 ARG CG C 26.581 0.400 1 1009 95 95 ARG CD C 43.116 0.400 1 1010 95 95 ARG N N 118.360 0.400 1 1011 96 96 ASN H H 7.123 0.020 1 1012 96 96 ASN HA H 4.167 0.020 1 1013 96 96 ASN HB2 H 1.363 0.020 2 1014 96 96 ASN HB3 H 1.660 0.020 2 1015 96 96 ASN HD21 H 7.914 0.020 2 1016 96 96 ASN HD22 H 6.858 0.020 2 1017 96 96 ASN C C 177.420 0.400 1 1018 96 96 ASN CA C 56.891 0.400 1 1019 96 96 ASN CB C 38.157 0.400 1 1020 96 96 ASN N N 114.851 0.400 1 1021 96 96 ASN ND2 N 109.924 0.400 1 1022 97 97 ILE H H 7.239 0.020 1 1023 97 97 ILE HA H 3.398 0.020 1 1024 97 97 ILE HB H 1.666 0.020 1 1025 97 97 ILE HG12 H 1.273 0.020 2 1026 97 97 ILE HG13 H 0.541 0.020 2 1027 97 97 ILE HG2 H 0.620 0.020 1 1028 97 97 ILE HD1 H -0.004 0.020 1 1029 97 97 ILE C C 177.762 0.400 1 1030 97 97 ILE CA C 65.350 0.400 1 1031 97 97 ILE CB C 37.632 0.400 1 1032 97 97 ILE CG1 C 29.394 0.400 1 1033 97 97 ILE CG2 C 17.826 0.400 1 1034 97 97 ILE CD1 C 12.255 0.400 1 1035 97 97 ILE N N 118.946 0.400 1 1036 98 98 ARG H H 8.261 0.020 1 1037 98 98 ARG HA H 3.559 0.020 1 1038 98 98 ARG HB2 H 1.758 0.020 2 1039 98 98 ARG HB3 H 1.921 0.020 2 1040 98 98 ARG HG2 H 1.590 0.020 1 1041 98 98 ARG HG3 H 1.590 0.020 1 1042 98 98 ARG HD2 H 3.153 0.020 1 1043 98 98 ARG HD3 H 3.153 0.020 1 1044 98 98 ARG C C 176.453 0.400 1 1045 98 98 ARG CA C 61.040 0.400 1 1046 98 98 ARG CB C 29.562 0.400 1 1047 98 98 ARG CG C 28.063 0.400 1 1048 98 98 ARG CD C 43.501 0.400 1 1049 98 98 ARG N N 120.836 0.400 1 1050 99 99 ASP H H 8.199 0.020 1 1051 99 99 ASP HA H 4.305 0.020 1 1052 99 99 ASP HB2 H 2.611 0.020 2 1053 99 99 ASP HB3 H 2.672 0.020 2 1054 99 99 ASP C C 179.262 0.400 1 1055 99 99 ASP CA C 57.929 0.400 1 1056 99 99 ASP CB C 39.966 0.400 1 1057 99 99 ASP N N 119.616 0.400 1 1058 100 100 LEU H H 7.445 0.020 1 1059 100 100 LEU HA H 4.085 0.020 1 1060 100 100 LEU HB2 H 1.698 0.020 2 1061 100 100 LEU HB3 H 1.912 0.020 2 1062 100 100 LEU HG H 1.728 0.020 1 1063 100 100 LEU HD1 H 0.914 0.020 2 1064 100 100 LEU HD2 H 0.881 0.020 2 1065 100 100 LEU C C 177.814 0.400 1 1066 100 100 LEU CA C 58.106 0.400 1 1067 100 100 LEU CB C 42.457 0.400 1 1068 100 100 LEU CG C 26.485 0.400 1 1069 100 100 LEU CD1 C 24.785 0.400 1 1070 100 100 LEU CD2 C 24.728 0.400 1 1071 100 100 LEU N N 121.045 0.400 1 1072 101 101 LEU H H 7.338 0.020 1 1073 101 101 LEU HA H 3.967 0.020 1 1074 101 101 LEU HB2 H 1.515 0.020 2 1075 101 101 LEU HB3 H 1.891 0.020 2 1076 101 101 LEU HG H 1.631 0.020 1 1077 101 101 LEU HD1 H 0.701 0.020 2 1078 101 101 LEU HD2 H 0.666 0.020 2 1079 101 101 LEU C C 178.779 0.400 1 1080 101 101 LEU CA C 58.730 0.400 1 1081 101 101 LEU CB C 40.324 0.400 1 1082 101 101 LEU CG C 30.879 0.400 1 1083 101 101 LEU CD1 C 25.468 0.400 1 1084 101 101 LEU CD2 C 26.528 0.400 1 1085 101 101 LEU N N 117.876 0.400 1 1086 102 102 GLN H H 8.648 0.020 1 1087 102 102 GLN HA H 3.908 0.020 1 1088 102 102 GLN HB2 H 2.211 0.020 2 1089 102 102 GLN HB3 H 2.283 0.020 2 1090 102 102 GLN HG2 H 2.450 0.020 2 1091 102 102 GLN HG3 H 2.455 0.020 2 1092 102 102 GLN HE21 H 6.764 0.020 2 1093 102 102 GLN HE22 H 7.597 0.020 2 1094 102 102 GLN C C 179.570 0.400 1 1095 102 102 GLN CA C 59.720 0.400 1 1096 102 102 GLN CB C 28.376 0.400 1 1097 102 102 GLN CG C 34.566 0.400 1 1098 102 102 GLN N N 121.389 0.400 1 1099 102 102 GLN NE2 N 111.359 0.400 1 1100 103 103 ASP H H 8.112 0.020 1 1101 103 103 ASP HA H 4.520 0.020 1 1102 103 103 ASP HB2 H 2.742 0.020 2 1103 103 103 ASP HB3 H 2.962 0.020 2 1104 103 103 ASP C C 180.402 0.400 1 1105 103 103 ASP CA C 57.222 0.400 1 1106 103 103 ASP CB C 41.100 0.400 1 1107 103 103 ASP N N 120.014 0.400 1 1108 104 104 ILE H H 7.235 0.020 1 1109 104 104 ILE HA H 4.708 0.020 1 1110 104 104 ILE HB H 2.366 0.020 1 1111 104 104 ILE HG12 H 1.489 0.020 2 1112 104 104 ILE HG13 H 1.624 0.020 2 1113 104 104 ILE HG2 H 0.853 0.020 1 1114 104 104 ILE HD1 H 0.810 0.020 1 1115 104 104 ILE C C 178.038 0.400 1 1116 104 104 ILE CA C 61.208 0.400 1 1117 104 104 ILE CB C 37.871 0.400 1 1118 104 104 ILE CG1 C 26.826 0.400 1 1119 104 104 ILE CG2 C 17.622 0.400 1 1120 104 104 ILE CD1 C 15.459 0.400 1 1121 104 104 ILE N N 110.069 0.400 1 1122 105 105 ASN H H 8.134 0.020 1 1123 105 105 ASN HA H 4.238 0.020 1 1124 105 105 ASN HB2 H 3.006 0.020 2 1125 105 105 ASN HB3 H 3.026 0.020 2 1126 105 105 ASN HD21 H 6.831 0.020 2 1127 105 105 ASN HD22 H 7.506 0.020 2 1128 105 105 ASN C C 174.936 0.400 1 1129 105 105 ASN CA C 54.936 0.400 1 1130 105 105 ASN CB C 36.895 0.400 1 1131 105 105 ASN N N 115.793 0.400 1 1132 105 105 ASN ND2 N 113.066 0.400 1 1133 106 106 VAL H H 8.120 0.020 1 1134 106 106 VAL HA H 4.254 0.020 1 1135 106 106 VAL HB H 1.699 0.020 1 1136 106 106 VAL HG1 H 0.972 0.020 2 1137 106 106 VAL HG2 H 0.720 0.020 2 1138 106 106 VAL CA C 61.790 0.400 1 1139 106 106 VAL CB C 34.548 0.400 1 1140 106 106 VAL CG1 C 21.548 0.400 1 1141 106 106 VAL CG2 C 22.470 0.400 1 1142 106 106 VAL N N 118.882 0.400 1 1143 107 107 VAL H H 8.167 0.020 1 1144 107 107 VAL HA H 3.660 0.020 1 1145 107 107 VAL HB H 1.778 0.020 1 1146 107 107 VAL HG1 H 1.051 0.020 2 1147 107 107 VAL HG2 H 0.565 0.020 2 1148 107 107 VAL C C 174.886 0.400 1 1149 107 107 VAL CA C 63.401 0.400 1 1150 107 107 VAL CB C 32.916 0.400 1 1151 107 107 VAL CG1 C 22.381 0.400 1 1152 107 107 VAL CG2 C 20.808 0.400 1 1153 107 107 VAL N N 126.915 0.400 1 1154 108 108 ALA H H 8.267 0.020 1 1155 108 108 ALA HA H 4.510 0.020 1 1156 108 108 ALA HB H 1.108 0.020 1 1157 108 108 ALA C C 175.071 0.400 1 1158 108 108 ALA CA C 50.266 0.400 1 1159 108 108 ALA CB C 19.533 0.400 1 1160 108 108 ALA N N 128.870 0.400 1 1161 109 109 LEU H H 8.718 0.020 1 1162 109 109 LEU HA H 3.889 0.020 1 1163 109 109 LEU HB2 H 1.020 0.020 2 1164 109 109 LEU HB3 H 1.245 0.020 2 1165 109 109 LEU HG H 1.145 0.020 1 1166 109 109 LEU HD1 H 0.568 0.020 2 1167 109 109 LEU HD2 H 0.511 0.020 2 1168 109 109 LEU C C 175.668 0.400 1 1169 109 109 LEU CA C 56.244 0.400 1 1170 109 109 LEU CB C 44.161 0.400 1 1171 109 109 LEU CG C 26.973 0.400 1 1172 109 109 LEU CD1 C 25.311 0.400 1 1173 109 109 LEU CD2 C 25.278 0.400 1 1174 109 109 LEU N N 123.906 0.400 1 1175 110 110 SER H H 7.051 0.020 1 1176 110 110 SER HA H 4.426 0.020 1 1177 110 110 SER HB2 H 3.306 0.020 2 1178 110 110 SER HB3 H 3.681 0.020 2 1179 110 110 SER C C 176.001 0.400 1 1180 110 110 SER CA C 57.532 0.400 1 1181 110 110 SER CB C 64.455 0.400 1 1182 110 110 SER N N 107.964 0.400 1 1183 111 111 ILE H H 8.569 0.020 1 1184 111 111 ILE HA H 4.640 0.020 1 1185 111 111 ILE HB H 1.626 0.020 1 1186 111 111 ILE HG12 H 1.431 0.020 2 1187 111 111 ILE HG13 H 0.837 0.020 2 1188 111 111 ILE HG2 H 0.673 0.020 1 1189 111 111 ILE C C 172.962 0.400 1 1190 111 111 ILE CA C 61.392 0.400 1 1191 111 111 ILE CB C 40.953 0.400 1 1192 111 111 ILE CG1 C 28.123 0.400 1 1193 111 111 ILE CG2 C 17.782 0.400 1 1194 111 111 ILE CD1 C 14.647 0.400 1 1195 111 111 ILE N N 126.879 0.400 1 1196 112 112 ARG H H 9.420 0.020 1 1197 112 112 ARG HA H 4.656 0.020 1 1198 112 112 ARG HB2 H 1.737 0.020 2 1199 112 112 ARG HB3 H 1.968 0.020 2 1200 112 112 ARG C C 174.471 0.400 1 1201 112 112 ARG CA C 55.576 0.400 1 1202 112 112 ARG CB C 32.323 0.400 1 1203 112 112 ARG CD C 42.178 0.400 1 1204 112 112 ARG N N 127.599 0.400 1 1205 113 113 LEU H H 8.691 0.020 1 1206 113 113 LEU HA H 5.140 0.020 1 1207 113 113 LEU HB2 H 1.703 0.020 2 1208 113 113 LEU HB3 H 1.416 0.020 2 1209 113 113 LEU HD1 H 0.730 0.020 2 1210 113 113 LEU HD2 H 0.813 0.020 2 1211 113 113 LEU C C 174.572 0.400 1 1212 113 113 LEU CA C 52.589 0.400 1 1213 113 113 LEU CB C 43.109 0.400 1 1214 113 113 LEU CD1 C 25.698 0.400 1 1215 113 113 LEU CD2 C 27.025 0.400 1 1216 113 113 LEU N N 126.575 0.400 1 1217 114 114 PRO HA H 4.456 0.020 1 1218 114 114 PRO HB2 H 1.844 0.020 2 1219 114 114 PRO HB3 H 2.338 0.020 2 1220 114 114 PRO HG2 H 1.783 0.020 1 1221 114 114 PRO HG3 H 1.783 0.020 1 1222 114 114 PRO HD2 H 3.482 0.020 2 1223 114 114 PRO HD3 H 3.666 0.020 2 1224 114 114 PRO CA C 63.113 0.400 1 1225 114 114 PRO CB C 32.572 0.400 1 1226 114 114 PRO CG C 27.831 0.400 1 1227 114 114 PRO CD C 50.857 0.400 1 1228 115 115 SER H H 8.550 0.020 1 1229 115 115 SER HA H 4.367 0.020 1 1230 115 115 SER HB2 H 3.886 0.020 1 1231 115 115 SER HB3 H 3.886 0.020 1 1232 115 115 SER C C 176.680 0.400 1 1233 115 115 SER CA C 58.651 0.400 1 1234 115 115 SER CB C 63.859 0.400 1 1235 115 115 SER N N 116.617 0.400 1 1236 116 116 LEU H H 8.389 0.020 1 1237 116 116 LEU HA H 4.371 0.020 1 1238 116 116 LEU HB2 H 1.560 0.020 2 1239 116 116 LEU HB3 H 1.628 0.020 2 1240 116 116 LEU HD1 H 0.902 0.020 2 1241 116 116 LEU HD2 H 0.872 0.020 2 1242 116 116 LEU C C 174.761 0.400 1 1243 116 116 LEU CA C 55.515 0.400 1 1244 116 116 LEU CB C 42.557 0.400 1 1245 116 116 LEU CD1 C 25.429 0.400 1 1246 116 116 LEU CD2 C 23.765 0.400 1 1247 116 116 LEU N N 124.439 0.400 1 1248 117 117 ARG H H 8.390 0.020 1 1249 117 117 ARG HA H 4.135 0.020 1 1250 117 117 ARG HB2 H 1.571 0.020 2 1251 117 117 ARG HB3 H 1.593 0.020 2 1252 117 117 ARG HG2 H 1.300 0.020 2 1253 117 117 ARG HG3 H 1.412 0.020 2 1254 117 117 ARG HD2 H 3.073 0.020 1 1255 117 117 ARG HD3 H 3.073 0.020 1 1256 117 117 ARG C C 177.547 0.400 1 1257 117 117 ARG CA C 57.144 0.400 1 1258 117 117 ARG CB C 30.917 0.400 1 1259 117 117 ARG CG C 27.264 0.400 1 1260 117 117 ARG CD C 43.452 0.400 1 1261 117 117 ARG N N 121.122 0.400 1 1262 118 118 PHE H H 8.045 0.020 1 1263 118 118 PHE HA H 4.719 0.020 1 1264 118 118 PHE HB2 H 3.020 0.020 2 1265 118 118 PHE HB3 H 3.249 0.020 2 1266 118 118 PHE HD1 H 7.264 0.020 1 1267 118 118 PHE HD2 H 7.264 0.020 1 1268 118 118 PHE HE1 H 7.264 0.020 1 1269 118 118 PHE HE2 H 7.264 0.020 1 1270 118 118 PHE C C 176.279 0.400 1 1271 118 118 PHE CA C 57.489 0.400 1 1272 118 118 PHE CB C 39.994 0.400 1 1273 118 118 PHE CD1 C 133.258 0.400 1 1274 118 118 PHE CE1 C 130.000 0.400 1 1275 118 118 PHE N N 117.849 0.400 1 1276 119 119 ASN H H 8.579 0.020 1 1277 119 119 ASN HA H 4.634 0.020 1 1278 119 119 ASN HB2 H 2.809 0.020 2 1279 119 119 ASN HB3 H 2.852 0.020 2 1280 119 119 ASN HD21 H 6.941 0.020 2 1281 119 119 ASN HD22 H 7.651 0.020 2 1282 119 119 ASN C C 175.878 0.400 1 1283 119 119 ASN CA C 54.264 0.400 1 1284 119 119 ASN CB C 38.137 0.400 1 1285 119 119 ASN N N 119.347 0.400 1 1286 119 119 ASN ND2 N 112.400 0.400 1 1287 120 120 THR H H 7.880 0.020 1 1288 120 120 THR HA H 4.395 0.020 1 1289 120 120 THR HB H 4.403 0.020 1 1290 120 120 THR HG2 H 1.210 0.020 1 1291 120 120 THR C C 175.584 0.400 1 1292 120 120 THR CA C 61.905 0.400 1 1293 120 120 THR CB C 69.989 0.400 1 1294 120 120 THR CG2 C 21.734 0.400 1 1295 120 120 THR N N 111.248 0.400 1 1296 121 121 SER H H 8.249 0.020 1 1297 121 121 SER HA H 4.477 0.020 1 1298 121 121 SER HB2 H 3.959 0.020 1 1299 121 121 SER HB3 H 3.959 0.020 1 1300 121 121 SER C C 174.814 0.400 1 1301 121 121 SER CA C 59.568 0.400 1 1302 121 121 SER CB C 64.263 0.400 1 1303 121 121 SER N N 117.905 0.400 1 1304 122 122 ARG H H 8.185 0.020 1 1305 122 122 ARG HA H 4.364 0.020 1 1306 122 122 ARG HB2 H 1.734 0.020 2 1307 122 122 ARG HB3 H 1.804 0.020 2 1308 122 122 ARG HG2 H 1.557 0.020 2 1309 122 122 ARG HG3 H 1.642 0.020 2 1310 122 122 ARG HD2 H 3.190 0.020 1 1311 122 122 ARG HD3 H 3.190 0.020 1 1312 122 122 ARG C C 174.093 0.400 1 1313 122 122 ARG CA C 55.930 0.400 1 1314 122 122 ARG CB C 30.839 0.400 1 1315 122 122 ARG CG C 27.071 0.400 1 1316 122 122 ARG CD C 43.712 0.400 1 1317 122 122 ARG N N 122.403 0.400 1 1318 123 123 ARG H H 8.214 0.020 1 1319 123 123 ARG HA H 4.209 0.020 1 1320 123 123 ARG HB2 H 1.454 0.020 2 1321 123 123 ARG HB3 H 1.528 0.020 2 1322 123 123 ARG HD2 H 3.166 0.020 1 1323 123 123 ARG HD3 H 3.166 0.020 1 1324 123 123 ARG C C 175.546 0.400 1 1325 123 123 ARG CA C 56.384 0.400 1 1326 123 123 ARG CB C 31.474 0.400 1 1327 123 123 ARG CG C 27.554 0.400 1 1328 123 123 ARG CD C 43.945 0.400 1 1329 123 123 ARG N N 122.083 0.400 1 1330 124 124 PHE H H 7.835 0.020 1 1331 124 124 PHE HA H 5.203 0.020 1 1332 124 124 PHE HB2 H 2.547 0.020 2 1333 124 124 PHE HB3 H 2.592 0.020 2 1334 124 124 PHE HD1 H 6.905 0.020 1 1335 124 124 PHE HD2 H 6.905 0.020 1 1336 124 124 PHE HE1 H 7.115 0.020 1 1337 124 124 PHE HE2 H 7.115 0.020 1 1338 124 124 PHE C C 175.209 0.400 1 1339 124 124 PHE CA C 56.192 0.400 1 1340 124 124 PHE CB C 42.249 0.400 1 1341 124 124 PHE CD1 C 133.312 0.400 1 1342 124 124 PHE CE1 C 132.548 0.400 1 1343 124 124 PHE N N 120.902 0.400 1 1344 125 125 ALA H H 8.962 0.020 1 1345 125 125 ALA HA H 5.291 0.020 1 1346 125 125 ALA HB H 1.059 0.020 1 1347 125 125 ALA C C 173.121 0.400 1 1348 125 125 ALA CA C 50.459 0.400 1 1349 125 125 ALA CB C 23.176 0.400 1 1350 125 125 ALA N N 119.859 0.400 1 1351 126 126 TYR H H 8.817 0.020 1 1352 126 126 TYR HA H 5.729 0.020 1 1353 126 126 TYR HB2 H 2.709 0.020 2 1354 126 126 TYR HB3 H 2.946 0.020 2 1355 126 126 TYR HD1 H 7.172 0.020 1 1356 126 126 TYR HD2 H 7.172 0.020 1 1357 126 126 TYR HE1 H 6.790 0.020 1 1358 126 126 TYR HE2 H 6.790 0.020 1 1359 126 126 TYR C C 175.802 0.400 1 1360 126 126 TYR CA C 57.223 0.400 1 1361 126 126 TYR CB C 41.292 0.400 1 1362 126 126 TYR CD1 C 134.547 0.400 1 1363 126 126 TYR CE1 C 118.921 0.400 1 1364 126 126 TYR N N 118.021 0.400 1 1365 127 127 ILE H H 9.270 0.020 1 1366 127 127 ILE HA H 5.071 0.020 1 1367 127 127 ILE HB H 1.666 0.020 1 1368 127 127 ILE HG12 H 0.896 0.020 2 1369 127 127 ILE HG13 H 1.429 0.020 2 1370 127 127 ILE HG2 H 0.762 0.020 1 1371 127 127 ILE HD1 H 0.776 0.020 1 1372 127 127 ILE C C 175.924 0.400 1 1373 127 127 ILE CA C 60.004 0.400 1 1374 127 127 ILE CB C 43.663 0.400 1 1375 127 127 ILE CG1 C 28.917 0.400 1 1376 127 127 ILE CG2 C 19.079 0.400 1 1377 127 127 ILE CD1 C 16.510 0.400 1 1378 127 127 ILE N N 122.629 0.400 1 1379 128 128 ASP H H 8.890 0.020 1 1380 128 128 ASP HA H 5.843 0.020 1 1381 128 128 ASP HB2 H 2.406 0.020 2 1382 128 128 ASP HB3 H 2.496 0.020 2 1383 128 128 ASP C C 175.096 0.400 1 1384 128 128 ASP CA C 53.326 0.400 1 1385 128 128 ASP CB C 43.097 0.400 1 1386 128 128 ASP N N 125.462 0.400 1 1387 129 129 VAL H H 8.907 0.020 1 1388 129 129 VAL HA H 4.791 0.020 1 1389 129 129 VAL HB H 2.732 0.020 1 1390 129 129 VAL HG1 H 0.810 0.020 2 1391 129 129 VAL HG2 H 0.889 0.020 2 1392 129 129 VAL C C 176.296 0.400 1 1393 129 129 VAL CA C 59.985 0.400 1 1394 129 129 VAL CB C 32.341 0.400 1 1395 129 129 VAL CG1 C 22.897 0.400 1 1396 129 129 VAL CG2 C 19.024 0.400 1 1397 129 129 VAL N N 117.303 0.400 1 1398 130 130 THR H H 8.725 0.020 1 1399 130 130 THR HA H 4.066 0.020 1 1400 130 130 THR HB H 3.854 0.020 1 1401 130 130 THR HG2 H 0.045 0.020 1 1402 130 130 THR C C 173.964 0.400 1 1403 130 130 THR CA C 63.405 0.400 1 1404 130 130 THR CB C 70.976 0.400 1 1405 130 130 THR CG2 C 20.969 0.400 1 1406 130 130 THR N N 102.289 0.400 1 1407 131 131 SER H H 7.356 0.020 1 1408 131 131 SER HA H 4.687 0.020 1 1409 131 131 SER HB2 H 4.032 0.020 2 1410 131 131 SER HB3 H 4.307 0.020 2 1411 131 131 SER C C 174.465 0.400 1 1412 131 131 SER CA C 57.952 0.400 1 1413 131 131 SER CB C 66.629 0.400 1 1414 131 131 SER N N 111.773 0.400 1 1415 132 132 LYS H H 9.073 0.020 1 1416 132 132 LYS HA H 4.309 0.020 1 1417 132 132 LYS HB2 H 1.811 0.020 2 1418 132 132 LYS HB3 H 1.917 0.020 2 1419 132 132 LYS HG2 H 1.549 0.020 2 1420 132 132 LYS HG3 H 1.464 0.020 2 1421 132 132 LYS HD2 H 1.709 0.020 1 1422 132 132 LYS HD3 H 1.709 0.020 1 1423 132 132 LYS HE2 H 3.005 0.020 1 1424 132 132 LYS HE3 H 3.005 0.020 1 1425 132 132 LYS C C 174.488 0.400 1 1426 132 132 LYS CA C 59.059 0.400 1 1427 132 132 LYS CB C 32.485 0.400 1 1428 132 132 LYS CG C 25.054 0.400 1 1429 132 132 LYS CD C 29.925 0.400 1 1430 132 132 LYS CE C 42.276 0.400 1 1431 132 132 LYS N N 123.370 0.400 1 1432 133 133 GLU H H 8.934 0.020 1 1433 133 133 GLU HA H 4.041 0.020 1 1434 133 133 GLU HB2 H 1.961 0.020 2 1435 133 133 GLU HB3 H 2.142 0.020 2 1436 133 133 GLU HG2 H 2.246 0.020 2 1437 133 133 GLU HG3 H 2.549 0.020 2 1438 133 133 GLU C C 179.652 0.400 1 1439 133 133 GLU CA C 61.060 0.400 1 1440 133 133 GLU CB C 28.430 0.400 1 1441 133 133 GLU CG C 37.276 0.400 1 1442 133 133 GLU N N 121.367 0.400 1 1443 134 134 ASP H H 8.320 0.020 1 1444 134 134 ASP HA H 4.592 0.020 1 1445 134 134 ASP HB2 H 2.456 0.020 2 1446 134 134 ASP HB3 H 2.926 0.020 2 1447 134 134 ASP C C 179.582 0.400 1 1448 134 134 ASP CA C 57.558 0.400 1 1449 134 134 ASP CB C 39.984 0.400 1 1450 134 134 ASP N N 122.154 0.400 1 1451 135 135 ALA H H 8.065 0.020 1 1452 135 135 ALA HA H 3.948 0.020 1 1453 135 135 ALA HB H 1.462 0.020 1 1454 135 135 ALA C C 179.041 0.400 1 1455 135 135 ALA CA C 56.466 0.400 1 1456 135 135 ALA CB C 17.396 0.400 1 1457 135 135 ALA N N 124.254 0.400 1 1458 136 136 ARG H H 7.876 0.020 1 1459 136 136 ARG HA H 3.876 0.020 1 1460 136 136 ARG HB2 H 1.957 0.020 2 1461 136 136 ARG HB3 H 2.005 0.020 2 1462 136 136 ARG HG2 H 1.694 0.020 2 1463 136 136 ARG HG3 H 1.857 0.020 2 1464 136 136 ARG HD2 H 3.253 0.020 1 1465 136 136 ARG HD3 H 3.253 0.020 1 1466 136 136 ARG C C 174.424 0.400 1 1467 136 136 ARG CA C 59.854 0.400 1 1468 136 136 ARG CB C 29.943 0.400 1 1469 136 136 ARG CG C 27.634 0.400 1 1470 136 136 ARG CD C 43.658 0.400 1 1471 136 136 ARG N N 116.357 0.400 1 1472 137 137 TYR H H 8.331 0.020 1 1473 137 137 TYR HA H 4.394 0.020 1 1474 137 137 TYR HB2 H 3.127 0.020 2 1475 137 137 TYR HB3 H 3.288 0.020 2 1476 137 137 TYR HD1 H 7.075 0.020 1 1477 137 137 TYR HD2 H 7.075 0.020 1 1478 137 137 TYR HE1 H 6.974 0.020 1 1479 137 137 TYR HE2 H 6.974 0.020 1 1480 137 137 TYR C C 179.198 0.400 1 1481 137 137 TYR CA C 61.109 0.400 1 1482 137 137 TYR CB C 39.187 0.400 1 1483 137 137 TYR CD1 C 130.000 0.400 1 1484 137 137 TYR CE1 C 119.442 0.400 1 1485 137 137 TYR N N 121.974 0.400 1 1486 138 138 CYS H H 8.439 0.020 1 1487 138 138 CYS HA H 3.759 0.020 1 1488 138 138 CYS HB2 H 2.285 0.020 2 1489 138 138 CYS HB3 H 3.376 0.020 2 1490 138 138 CYS C C 177.266 0.400 1 1491 138 138 CYS CA C 64.676 0.400 1 1492 138 138 CYS CB C 28.426 0.400 1 1493 138 138 CYS N N 115.865 0.400 1 1494 139 139 VAL H H 7.581 0.020 1 1495 139 139 VAL HA H 3.332 0.020 1 1496 139 139 VAL HB H 2.198 0.020 1 1497 139 139 VAL HG1 H 1.002 0.020 2 1498 139 139 VAL HG2 H 1.002 0.020 2 1499 139 139 VAL C C 176.994 0.400 1 1500 139 139 VAL CA C 67.576 0.400 1 1501 139 139 VAL CB C 31.728 0.400 1 1502 139 139 VAL CG1 C 23.670 0.400 1 1503 139 139 VAL CG2 C 21.429 0.400 1 1504 139 139 VAL N N 119.011 0.400 1 1505 140 140 GLU H H 7.842 0.020 1 1506 140 140 GLU HA H 3.937 0.020 1 1507 140 140 GLU HB2 H 2.067 0.020 2 1508 140 140 GLU HB3 H 2.175 0.020 2 1509 140 140 GLU HG2 H 2.384 0.020 2 1510 140 140 GLU HG3 H 2.397 0.020 2 1511 140 140 GLU C C 177.942 0.400 1 1512 140 140 GLU CA C 59.698 0.400 1 1513 140 140 GLU CB C 29.794 0.400 1 1514 140 140 GLU CG C 36.357 0.400 1 1515 140 140 GLU N N 118.385 0.400 1 1516 141 141 LYS H H 8.080 0.020 1 1517 141 141 LYS HA H 4.168 0.020 1 1518 141 141 LYS HB2 H 1.535 0.020 2 1519 141 141 LYS HB3 H 1.576 0.020 2 1520 141 141 LYS C C 179.215 0.400 1 1521 141 141 LYS CA C 56.748 0.400 1 1522 141 141 LYS CB C 32.952 0.400 1 1523 141 141 LYS CG C 25.320 0.400 1 1524 141 141 LYS CD C 27.275 0.400 1 1525 141 141 LYS CE C 41.560 0.400 1 1526 141 141 LYS N N 114.082 0.400 1 1527 142 142 LEU H H 8.408 0.020 1 1528 142 142 LEU HA H 4.531 0.020 1 1529 142 142 LEU HB2 H 1.865 0.020 2 1530 142 142 LEU HB3 H 1.893 0.020 2 1531 142 142 LEU HD1 H 0.706 0.020 2 1532 142 142 LEU HD2 H 0.701 0.020 2 1533 142 142 LEU C C 178.656 0.400 1 1534 142 142 LEU CA C 55.561 0.400 1 1535 142 142 LEU CB C 42.774 0.400 1 1536 142 142 LEU CG C 26.240 0.400 1 1537 142 142 LEU CD1 C 22.624 0.400 1 1538 142 142 LEU CD2 C 22.925 0.400 1 1539 142 142 LEU N N 115.350 0.400 1 1540 143 143 ASN H H 7.935 0.020 1 1541 143 143 ASN HA H 4.418 0.020 1 1542 143 143 ASN HB2 H 3.032 0.020 2 1543 143 143 ASN HB3 H 3.130 0.020 2 1544 143 143 ASN HD21 H 6.871 0.020 2 1545 143 143 ASN HD22 H 7.751 0.020 2 1546 143 143 ASN C C 178.041 0.400 1 1547 143 143 ASN CA C 56.812 0.400 1 1548 143 143 ASN CB C 39.288 0.400 1 1549 143 143 ASN N N 116.239 0.400 1 1550 143 143 ASN ND2 N 114.162 0.400 1 1551 144 144 GLY H H 8.987 0.020 1 1552 144 144 GLY HA2 H 4.260 0.020 2 1553 144 144 GLY HA3 H 3.495 0.020 2 1554 144 144 GLY C C 176.843 0.400 1 1555 144 144 GLY CA C 45.639 0.400 1 1556 144 144 GLY N N 117.062 0.400 1 1557 145 145 LEU H H 7.520 0.020 1 1558 145 145 LEU HA H 4.115 0.020 1 1559 145 145 LEU HB2 H 1.582 0.020 2 1560 145 145 LEU HB3 H 1.851 0.020 2 1561 145 145 LEU HG H 0.993 0.020 1 1562 145 145 LEU HD1 H 0.930 0.020 2 1563 145 145 LEU HD2 H 1.000 0.020 2 1564 145 145 LEU C C 173.552 0.400 1 1565 145 145 LEU CA C 56.136 0.400 1 1566 145 145 LEU CB C 43.835 0.400 1 1567 145 145 LEU CG C 27.073 0.400 1 1568 145 145 LEU CD1 C 26.804 0.400 1 1569 145 145 LEU CD2 C 24.033 0.400 1 1570 145 145 LEU N N 123.883 0.400 1 1571 146 146 LYS H H 8.298 0.020 1 1572 146 146 LYS HA H 5.140 0.020 1 1573 146 146 LYS HB2 H 1.658 0.020 2 1574 146 146 LYS HB3 H 1.711 0.020 2 1575 146 146 LYS HG2 H 1.331 0.020 1 1576 146 146 LYS HG3 H 1.331 0.020 1 1577 146 146 LYS HD2 H 1.575 0.020 1 1578 146 146 LYS HD3 H 1.575 0.020 1 1579 146 146 LYS C C 175.513 0.400 1 1580 146 146 LYS CA C 55.585 0.400 1 1581 146 146 LYS CB C 32.698 0.400 1 1582 146 146 LYS CG C 24.960 0.400 1 1583 146 146 LYS CD C 29.333 0.400 1 1584 146 146 LYS CE C 41.975 0.400 1 1585 146 146 LYS N N 125.897 0.400 1 1586 147 147 ILE H H 9.101 0.020 1 1587 147 147 ILE HA H 4.311 0.020 1 1588 147 147 ILE HB H 1.702 0.020 1 1589 147 147 ILE HG12 H 1.075 0.020 2 1590 147 147 ILE HG13 H 1.516 0.020 2 1591 147 147 ILE HG2 H 0.903 0.020 1 1592 147 147 ILE HD1 H 0.907 0.020 1 1593 147 147 ILE C C 176.822 0.400 1 1594 147 147 ILE CA C 60.453 0.400 1 1595 147 147 ILE CB C 40.730 0.400 1 1596 147 147 ILE CG1 C 26.781 0.400 1 1597 147 147 ILE CG2 C 18.206 0.400 1 1598 147 147 ILE CD1 C 14.166 0.400 1 1599 147 147 ILE N N 126.428 0.400 1 1600 148 148 GLU H H 9.263 0.020 1 1601 148 148 GLU HA H 3.860 0.020 1 1602 148 148 GLU HB2 H 2.159 0.020 2 1603 148 148 GLU HB3 H 2.357 0.020 2 1604 148 148 GLU HG2 H 2.341 0.020 1 1605 148 148 GLU HG3 H 2.341 0.020 1 1606 148 148 GLU C C 175.099 0.400 1 1607 148 148 GLU CA C 57.683 0.400 1 1608 148 148 GLU CB C 28.126 0.400 1 1609 148 148 GLU CG C 36.995 0.400 1 1610 148 148 GLU N N 124.040 0.400 1 1611 149 149 GLY H H 8.324 0.020 1 1612 149 149 GLY HA2 H 4.036 0.020 2 1613 149 149 GLY HA3 H 3.484 0.020 2 1614 149 149 GLY C C 175.968 0.400 1 1615 149 149 GLY CA C 45.500 0.400 1 1616 149 149 GLY N N 103.337 0.400 1 1617 150 150 TYR H H 8.495 0.020 1 1618 150 150 TYR HA H 4.262 0.020 1 1619 150 150 TYR HB2 H 2.978 0.020 2 1620 150 150 TYR HB3 H 3.112 0.020 2 1621 150 150 TYR HD1 H 7.001 0.020 1 1622 150 150 TYR HD2 H 7.001 0.020 1 1623 150 150 TYR HE1 H 6.742 0.020 1 1624 150 150 TYR HE2 H 6.742 0.020 1 1625 150 150 TYR C C 176.017 0.400 1 1626 150 150 TYR CA C 58.643 0.400 1 1627 150 150 TYR CB C 38.665 0.400 1 1628 150 150 TYR CD1 C 134.895 0.400 1 1629 150 150 TYR CE1 C 119.436 0.400 1 1630 150 150 TYR N N 123.243 0.400 1 1631 151 151 THR H H 8.322 0.020 1 1632 151 151 THR HA H 4.533 0.020 1 1633 151 151 THR HB H 3.990 0.020 1 1634 151 151 THR HG2 H 1.068 0.020 1 1635 151 151 THR C C 175.320 0.400 1 1636 151 151 THR CA C 62.529 0.400 1 1637 151 151 THR CB C 69.066 0.400 1 1638 151 151 THR CG2 C 21.661 0.400 1 1639 151 151 THR N N 118.902 0.400 1 1640 152 152 LEU H H 9.146 0.020 1 1641 152 152 LEU HA H 4.163 0.020 1 1642 152 152 LEU HB2 H 1.748 0.020 2 1643 152 152 LEU HB3 H 1.924 0.020 2 1644 152 152 LEU HG H 1.656 0.020 1 1645 152 152 LEU HD1 H 0.967 0.020 2 1646 152 152 LEU HD2 H 0.970 0.020 2 1647 152 152 LEU C C 173.765 0.400 1 1648 152 152 LEU CA C 56.823 0.400 1 1649 152 152 LEU CB C 44.014 0.400 1 1650 152 152 LEU CG C 27.827 0.400 1 1651 152 152 LEU CD1 C 24.922 0.400 1 1652 152 152 LEU CD2 C 25.464 0.400 1 1653 152 152 LEU N N 131.157 0.400 1 1654 153 153 VAL H H 8.112 0.020 1 1655 153 153 VAL HA H 4.690 0.020 1 1656 153 153 VAL HB H 1.808 0.020 1 1657 153 153 VAL HG1 H 1.000 0.020 2 1658 153 153 VAL HG2 H 0.979 0.020 2 1659 153 153 VAL C C 177.336 0.400 1 1660 153 153 VAL CA C 61.585 0.400 1 1661 153 153 VAL CB C 34.003 0.400 1 1662 153 153 VAL CG1 C 21.002 0.400 1 1663 153 153 VAL CG2 C 20.986 0.400 1 1664 153 153 VAL N N 124.906 0.400 1 1665 154 154 THR H H 8.765 0.020 1 1666 154 154 THR HA H 5.279 0.020 1 1667 154 154 THR HB H 3.699 0.020 1 1668 154 154 THR HG2 H 0.976 0.020 1 1669 154 154 THR C C 176.384 0.400 1 1670 154 154 THR CA C 61.831 0.400 1 1671 154 154 THR CB C 72.430 0.400 1 1672 154 154 THR CG2 C 22.154 0.400 1 1673 154 154 THR N N 121.197 0.400 1 1674 155 155 LYS H H 8.821 0.020 1 1675 155 155 LYS HA H 4.697 0.020 1 1676 155 155 LYS HB2 H 1.468 0.020 2 1677 155 155 LYS HB3 H 1.716 0.020 2 1678 155 155 LYS HG2 H 1.209 0.020 1 1679 155 155 LYS HG3 H 1.209 0.020 1 1680 155 155 LYS HD2 H 1.618 0.020 1 1681 155 155 LYS HD3 H 1.618 0.020 1 1682 155 155 LYS HE2 H 2.835 0.020 1 1683 155 155 LYS HE3 H 2.835 0.020 1 1684 155 155 LYS C C 172.191 0.400 1 1685 155 155 LYS CA C 55.040 0.400 1 1686 155 155 LYS CB C 37.149 0.400 1 1687 155 155 LYS CG C 24.487 0.400 1 1688 155 155 LYS CD C 29.547 0.400 1 1689 155 155 LYS CE C 42.230 0.400 1 1690 155 155 LYS N N 122.909 0.400 1 1691 156 156 VAL H H 8.579 0.020 1 1692 156 156 VAL HA H 4.155 0.020 1 1693 156 156 VAL HB H 2.003 0.020 1 1694 156 156 VAL HG1 H 0.913 0.020 2 1695 156 156 VAL HG2 H 0.940 0.020 2 1696 156 156 VAL C C 174.942 0.400 1 1697 156 156 VAL CA C 64.192 0.400 1 1698 156 156 VAL CB C 32.049 0.400 1 1699 156 156 VAL CG1 C 21.949 0.400 1 1700 156 156 VAL CG2 C 21.624 0.400 1 1701 156 156 VAL N N 121.198 0.400 1 1702 157 157 SER H H 8.719 0.020 1 1703 157 157 SER HA H 4.371 0.020 1 1704 157 157 SER HB2 H 3.671 0.020 2 1705 157 157 SER HB3 H 3.695 0.020 2 1706 157 157 SER C C 176.634 0.400 1 1707 157 157 SER CA C 58.465 0.400 1 1708 157 157 SER CB C 64.953 0.400 1 1709 157 157 SER N N 122.515 0.400 1 1710 158 158 ASN H H 8.559 0.020 1 1711 158 158 ASN HA H 5.043 0.020 1 1712 158 158 ASN HB2 H 2.885 0.020 2 1713 158 158 ASN HB3 H 2.757 0.020 2 1714 158 158 ASN HD21 H 7.006 0.020 2 1715 158 158 ASN HD22 H 7.742 0.020 2 1716 158 158 ASN C C 173.598 0.400 1 1717 158 158 ASN CA C 51.186 0.400 1 1718 158 158 ASN CB C 39.369 0.400 1 1719 158 158 ASN N N 123.644 0.400 1 1720 158 158 ASN ND2 N 113.136 0.400 1 1721 159 159 PRO HA H 4.300 0.020 1 1722 159 159 PRO HB2 H 2.217 0.020 2 1723 159 159 PRO HB3 H 1.878 0.020 2 1724 159 159 PRO HG2 H 1.924 0.020 2 1725 159 159 PRO HG3 H 1.941 0.020 2 1726 159 159 PRO HD2 H 3.798 0.020 1 1727 159 159 PRO HD3 H 3.798 0.020 1 1728 159 159 PRO CA C 64.432 0.400 1 1729 159 159 PRO CB C 32.197 0.400 1 1730 159 159 PRO CG C 27.467 0.400 1 1731 159 159 PRO CD C 51.174 0.400 1 1732 160 160 LEU H H 8.029 0.020 1 1733 160 160 LEU HA H 4.194 0.020 1 1734 160 160 LEU HB2 H 1.613 0.020 2 1735 160 160 LEU HB3 H 1.523 0.020 2 1736 160 160 LEU HG H 1.556 0.020 1 1737 160 160 LEU HD1 H 0.873 0.020 2 1738 160 160 LEU HD2 H 0.806 0.020 2 1739 160 160 LEU C C 177.302 0.400 1 1740 160 160 LEU CA C 55.927 0.400 1 1741 160 160 LEU CB C 41.608 0.400 1 1742 160 160 LEU CG C 27.447 0.400 1 1743 160 160 LEU CD1 C 25.138 0.400 1 1744 160 160 LEU CD2 C 23.217 0.400 1 1745 160 160 LEU N N 118.874 0.400 1 1746 161 161 GLU H H 7.915 0.020 1 1747 161 161 GLU HA H 4.186 0.020 1 1748 161 161 GLU HB2 H 1.914 0.020 2 1749 161 161 GLU HB3 H 1.974 0.020 2 1750 161 161 GLU HG2 H 2.162 0.020 1 1751 161 161 GLU HG3 H 2.162 0.020 1 1752 161 161 GLU C C 177.901 0.400 1 1753 161 161 GLU CA C 56.848 0.400 1 1754 161 161 GLU CB C 30.489 0.400 1 1755 161 161 GLU CG C 36.496 0.400 1 1756 161 161 GLU N N 119.854 0.400 1 stop_ save_