data_7257 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the RRM domain of SR rich factor 9G8 ; _BMRB_accession_number 7257 _BMRB_flat_file_name bmr7257.str _Entry_type original _Submission_date 2006-08-10 _Accession_date 2006-08-17 _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 Tintaru A. M. . 2 Hautbergue G. M. . 3 Golovanov A. P. . 4 Lian L. Y. . 5 Wilson S. A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 595 "13C chemical shifts" 444 "15N chemical shifts" 109 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-12-20 original author . stop_ _Original_release_date 2006-12-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Molecular basis of RNA recognition and TAP binding by the SR proteins SRp20 and 9G8 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17036044 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hargous Y. . . 2 Hautbergue G. M. . 3 Tintaru A. M. . 4 Skrisovska L. . . 5 Golovanov A. P. . 6 Stevenin J. . . 7 Lian L. Y. . 8 Wilson S. A. . 9 Allain F. H.T. . stop_ _Journal_abbreviation 'EMBO J.' _Journal_volume 25 _Journal_issue 21 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5126 _Page_last 5137 _Year 2006 _Details . loop_ _Keyword RRM stop_ save_ ################################## # Molecular system description # ################################## save_system_9G8_RRM _Saveframe_category molecular_system _Mol_system_name 'RRM domain of SR rich factor 9G8' _Abbreviation_common 'RRM domain of SR rich factor 9G8' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RRM domain of SR rich factor 9G8' $9G8_RRM stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_9G8_RRM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'RRM domain of SR rich factor 9G8' _Abbreviation_common 'RRM domain of SR rich factor 9G8' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 101 _Mol_residue_sequence ; MKVYVGNLGTGAGKGELERA FSYYGPLRTVWIARNPPGFA FVEFEDPRDAEDAVRGLDGK VICGSRVRVELSTGMPRRSR FDRPPARRKLLEVLFNGPLE H ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 11 MET 2 12 LYS 3 13 VAL 4 14 TYR 5 15 VAL 6 16 GLY 7 17 ASN 8 18 LEU 9 19 GLY 10 20 THR 11 21 GLY 12 22 ALA 13 23 GLY 14 24 LYS 15 25 GLY 16 26 GLU 17 27 LEU 18 28 GLU 19 29 ARG 20 30 ALA 21 31 PHE 22 32 SER 23 33 TYR 24 34 TYR 25 35 GLY 26 36 PRO 27 37 LEU 28 38 ARG 29 39 THR 30 40 VAL 31 41 TRP 32 42 ILE 33 43 ALA 34 44 ARG 35 45 ASN 36 46 PRO 37 47 PRO 38 48 GLY 39 49 PHE 40 50 ALA 41 51 PHE 42 52 VAL 43 53 GLU 44 54 PHE 45 55 GLU 46 56 ASP 47 57 PRO 48 58 ARG 49 59 ASP 50 60 ALA 51 61 GLU 52 62 ASP 53 63 ALA 54 64 VAL 55 65 ARG 56 66 GLY 57 67 LEU 58 68 ASP 59 69 GLY 60 70 LYS 61 71 VAL 62 72 ILE 63 73 CYS 64 74 GLY 65 75 SER 66 76 ARG 67 77 VAL 68 78 ARG 69 79 VAL 70 80 GLU 71 81 LEU 72 82 SER 73 83 THR 74 84 GLY 75 85 MET 76 86 PRO 77 87 ARG 78 88 ARG 79 89 SER 80 90 ARG 81 91 PHE 82 92 ASP 83 93 ARG 84 94 PRO 85 95 PRO 86 96 ALA 87 97 ARG 88 98 ARG 89 99 LYS 90 100 LEU 91 101 LEU 92 102 GLU 93 103 VAL 94 104 LEU 95 105 PHE 96 106 ASN 97 107 GLY 98 108 PRO 99 109 LEU 100 110 GLU 101 111 HIS 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 PDB 2HVZ "Solution Structure Of The Rrm Domain Of Sr Rich Factor 9g8" 100.00 101 100.00 100.00 2.57e-65 DBJ BAC03661 "unnamed protein product [Homo sapiens]" 87.13 137 97.73 97.73 2.35e-52 DBJ BAC28058 "unnamed protein product [Mus musculus]" 87.13 157 98.86 98.86 7.25e-54 DBJ BAC32521 "unnamed protein product [Mus musculus]" 87.13 267 98.86 98.86 9.29e-54 DBJ BAC38650 "unnamed protein product [Mus musculus]" 87.13 235 98.86 98.86 1.10e-54 DBJ BAE01828 "unnamed protein product [Macaca fascicularis]" 87.13 238 98.86 98.86 1.45e-54 GB AAA35495 "9G8 splicing factor [Homo sapiens]" 87.13 238 98.86 98.86 1.45e-54 GB AAA88098 "splicing factor, arginine/serine-rich 7 [Homo sapiens]" 87.13 238 98.86 98.86 1.45e-54 GB AAH00997 "Splicing factor, arginine/serine-rich 7, 35kDa [Homo sapiens]" 87.13 238 98.86 98.86 1.45e-54 GB AAH14857 "Sfrs7 protein [Mus musculus]" 87.13 226 98.86 98.86 7.47e-54 GB AAH17369 "Splicing factor, arginine/serine-rich 7, 35kDa [Homo sapiens]" 87.13 238 98.86 98.86 1.45e-54 REF NP_001026854 "serine/arginine-rich splicing factor 7 isoform 1 [Homo sapiens]" 87.13 238 98.86 98.86 1.45e-54 REF NP_001029449 "serine/arginine-rich splicing factor 7 [Bos taurus]" 87.13 235 98.86 98.86 8.57e-55 REF NP_001034124 "serine/arginine-rich splicing factor 7 [Rattus norvegicus]" 87.13 238 98.86 98.86 1.47e-54 REF NP_001086749 "serine/arginine-rich splicing factor 7 [Xenopus laevis]" 86.14 234 97.70 98.85 1.91e-53 REF NP_001182375 "serine/arginine-rich splicing factor 7 isoform 2 [Homo sapiens]" 87.13 226 98.86 98.86 2.27e-54 SP Q16629 "RecName: Full=Serine/arginine-rich splicing factor 7; AltName: Full=Splicing factor 9G8; AltName: Full=Splicing factor, arginin" 87.13 238 98.86 98.86 1.45e-54 SP Q3T106 "RecName: Full=Serine/arginine-rich splicing factor 7; AltName: Full=Splicing factor, arginine/serine-rich 7 [Bos taurus]" 87.13 235 98.86 98.86 8.57e-55 SP Q8BL97 "RecName: Full=Serine/arginine-rich splicing factor 7; AltName: Full=Splicing factor, arginine/serine-rich 7 [Mus musculus]" 87.13 267 98.86 98.86 9.29e-54 TPG DAA24684 "TPA: splicing factor, arginine/serine-rich 7 [Bos taurus]" 87.13 235 98.86 98.86 8.57e-55 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $9G8_RRM Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $9G8_RRM 'recombinant technology' 'E. coli' Escherichia coli . . 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 $9G8_RRM 0.6 mM '[U-13C; U-15N]' CH3COONa 20 mM . L-ARG 25 mM . L-Glu 50 mM . EDTA 5 mM . DTT 10 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 1.0 loop_ _Task processing stop_ _Details 'F. Delaglio, S. Grzesiek, G. W. Vuister, G. Zhu, J. Pfeifer and A. Bax.' save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.01 loop_ _Task 'data analysis' stop_ _Details 'B.A.Johnson and R.A.Blevins' save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Task 'structure solution' stop_ _Details 'P.Guntert, C.Mumenthaler and K. Wuthrich,' save_ save_AMBER _Saveframe_category software _Name AMBER _Version 7.0 loop_ _Task refinement stop_ _Details ; Case DA, Cheatham TE 3rd, Darden T, Gohlke H, Luo R, Merz KM Jr, Onufriev A, Simmerling C, Wang B, Woods RJ. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_2D_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'RRM domain of SR rich factor 9G8' _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 11 1 MET HA H 4.241 0.010 1 2 11 1 MET HB2 H 2.206 0.010 2 3 11 1 MET HB3 H 1.873 0.010 2 4 11 1 MET HG2 H 2.412 0.010 2 5 11 1 MET HG3 H 2.617 0.010 2 6 11 1 MET HE H 0.898 0.010 1 7 11 1 MET C C 172.518 0.100 1 8 11 1 MET CA C 54.878 0.100 1 9 11 1 MET CB C 32.885 0.100 1 10 11 1 MET CG C 32.013 0.100 1 11 11 1 MET CE C 17.424 0.100 1 12 12 2 LYS H H 9.151 0.010 1 13 12 2 LYS HA H 4.855 0.010 1 14 12 2 LYS HB2 H 1.762 0.010 1 15 12 2 LYS HB3 H 1.762 0.010 1 16 12 2 LYS HG2 H 1.449 0.010 1 17 12 2 LYS HG3 H 1.449 0.010 1 18 12 2 LYS HD2 H 1.321 0.010 1 19 12 2 LYS HD3 H 1.321 0.010 1 20 12 2 LYS HE2 H 2.993 0.010 1 21 12 2 LYS HE3 H 2.993 0.010 1 22 12 2 LYS C C 174.408 0.100 1 23 12 2 LYS CA C 56.954 0.100 1 24 12 2 LYS CB C 34.622 0.100 1 25 12 2 LYS CG C 25.190 0.100 1 26 12 2 LYS CD C 25.729 0.100 1 27 12 2 LYS CE C 42.087 0.100 1 28 12 2 LYS N N 128.932 0.100 1 29 13 3 VAL H H 9.193 0.010 1 30 13 3 VAL HA H 4.558 0.010 1 31 13 3 VAL HB H 2.134 0.010 1 32 13 3 VAL HG1 H 0.909 0.010 2 33 13 3 VAL HG2 H 1.092 0.010 2 34 13 3 VAL C C 174.754 0.100 1 35 13 3 VAL CA C 61.419 0.100 1 36 13 3 VAL CB C 33.804 0.100 1 37 13 3 VAL CG1 C 23.342 0.100 1 38 13 3 VAL CG2 C 23.342 0.100 1 39 13 3 VAL N N 121.712 0.100 1 40 14 4 TYR H H 9.383 0.010 1 41 14 4 TYR HA H 4.885 0.010 1 42 14 4 TYR HB2 H 2.955 0.010 1 43 14 4 TYR HB3 H 2.955 0.010 1 44 14 4 TYR HD1 H 6.860 0.010 1 45 14 4 TYR HD2 H 6.860 0.010 1 46 14 4 TYR HE1 H 6.450 0.010 1 47 14 4 TYR HE2 H 6.450 0.010 1 48 14 4 TYR C C 173.745 0.100 1 49 14 4 TYR CA C 57.210 0.100 1 50 14 4 TYR CB C 40.153 0.100 1 51 14 4 TYR CD1 C 133.000 0.100 1 52 14 4 TYR CD2 C 133.000 0.100 1 53 14 4 TYR CE1 C 117.790 0.100 1 54 14 4 TYR CE2 C 117.790 0.100 1 55 14 4 TYR N N 127.616 0.100 1 56 15 5 VAL H H 8.465 0.010 1 57 15 5 VAL HA H 4.929 0.010 1 58 15 5 VAL HB H 1.859 0.010 1 59 15 5 VAL HG1 H 0.781 0.010 2 60 15 5 VAL HG2 H 0.964 0.010 2 61 15 5 VAL C C 174.355 0.100 1 62 15 5 VAL CA C 60.284 0.100 1 63 15 5 VAL CB C 33.036 0.100 1 64 15 5 VAL CG1 C 21.753 0.100 1 65 15 5 VAL CG2 C 21.753 0.100 1 66 15 5 VAL N N 125.939 0.100 1 67 16 6 GLY H H 9.434 0.010 1 68 16 6 GLY HA2 H 3.623 0.010 2 69 16 6 GLY HA3 H 4.810 0.010 2 70 16 6 GLY C C 173.645 0.100 1 71 16 6 GLY CA C 43.563 0.100 1 72 16 6 GLY N N 112.366 0.100 1 73 17 7 ASN H H 8.526 0.010 1 74 17 7 ASN HA H 4.395 0.010 1 75 17 7 ASN HB2 H 2.640 0.010 1 76 17 7 ASN HB3 H 2.640 0.010 1 77 17 7 ASN HD21 H 7.527 0.010 2 78 17 7 ASN HD22 H 6.844 0.010 2 79 17 7 ASN C C 175.050 0.100 1 80 17 7 ASN CA C 54.372 0.100 1 81 17 7 ASN CB C 38.308 0.100 1 82 17 7 ASN N N 114.759 0.100 1 83 17 7 ASN ND2 N 112.529 0.100 1 84 18 8 LEU H H 7.873 0.010 1 85 18 8 LEU HA H 4.009 0.010 1 86 18 8 LEU HB2 H 1.380 0.010 1 87 18 8 LEU HB3 H 1.380 0.010 1 88 18 8 LEU HG H 1.421 0.010 1 89 18 8 LEU HD1 H 0.653 0.010 1 90 18 8 LEU HD2 H 0.653 0.010 1 91 18 8 LEU C C 177.545 0.100 1 92 18 8 LEU CA C 54.996 0.100 1 93 18 8 LEU CB C 43.338 0.100 1 94 18 8 LEU CG C 26.519 0.100 1 95 18 8 LEU CD1 C 24.930 0.100 1 96 18 8 LEU CD2 C 24.930 0.100 1 97 18 8 LEU N N 117.147 0.100 1 98 19 9 GLY H H 8.264 0.010 1 99 19 9 GLY HA2 H 3.860 0.010 2 100 19 9 GLY HA3 H 4.157 0.010 2 101 19 9 GLY C C 174.907 0.100 1 102 19 9 GLY CA C 44.592 0.100 1 103 19 9 GLY N N 109.546 0.100 1 104 20 10 THR H H 8.443 0.010 1 105 20 10 THR HA H 4.015 0.010 1 106 20 10 THR HB H 4.250 0.010 1 107 20 10 THR HG2 H 1.245 0.010 1 108 20 10 THR C C 175.881 0.100 1 109 20 10 THR CA C 63.810 0.100 1 110 20 10 THR CB C 69.040 0.100 1 111 20 10 THR CG2 C 21.777 0.100 1 112 20 10 THR N N 113.560 0.100 1 113 21 11 GLY H H 8.717 0.010 1 114 21 11 GLY HA2 H 3.786 0.010 2 115 21 11 GLY HA3 H 4.023 0.010 2 116 21 11 GLY C C 174.229 0.100 1 117 21 11 GLY CA C 45.308 0.100 1 118 21 11 GLY N N 110.935 0.100 1 119 22 12 ALA H H 7.410 0.010 1 120 22 12 ALA HA H 4.276 0.010 1 121 22 12 ALA HB H 1.322 0.010 1 122 22 12 ALA C C 176.474 0.100 1 123 22 12 ALA CA C 52.782 0.100 1 124 22 12 ALA CB C 19.498 0.100 1 125 22 12 ALA N N 122.834 0.100 1 126 23 13 GLY H H 8.023 0.010 1 127 23 13 GLY HA2 H 3.786 0.010 2 128 23 13 GLY HA3 H 4.320 0.010 2 129 23 13 GLY C C 173.437 0.100 1 130 23 13 GLY CA C 44.163 0.100 1 131 23 13 GLY N N 110.282 0.100 1 132 24 14 LYS H H 8.759 0.010 1 133 24 14 LYS HA H 3.652 0.010 1 134 24 14 LYS HB2 H 1.722 0.010 1 135 24 14 LYS HB3 H 1.722 0.010 1 136 24 14 LYS HG2 H 1.311 0.010 1 137 24 14 LYS HG3 H 1.311 0.010 1 138 24 14 LYS HD2 H 1.675 0.010 1 139 24 14 LYS HD3 H 1.675 0.010 1 140 24 14 LYS HE2 H 3.002 0.010 1 141 24 14 LYS HE3 H 3.002 0.010 1 142 24 14 LYS C C 178.082 0.100 1 143 24 14 LYS CA C 60.629 0.100 1 144 24 14 LYS CB C 32.703 0.100 1 145 24 14 LYS CG C 25.046 0.100 1 146 24 14 LYS CD C 29.300 0.100 1 147 24 14 LYS CE C 42.128 0.100 1 148 24 14 LYS N N 122.493 0.100 1 149 25 15 GLY H H 8.822 0.010 1 150 25 15 GLY HA2 H 3.860 0.010 2 151 25 15 GLY HA3 H 4.053 0.010 2 152 25 15 GLY C C 176.581 0.100 1 153 25 15 GLY CA C 47.153 0.100 1 154 25 15 GLY N N 106.364 0.100 1 155 26 16 GLU H H 8.026 0.010 1 156 26 16 GLU HA H 4.053 0.010 1 157 26 16 GLU HB2 H 1.980 0.010 1 158 26 16 GLU HB3 H 1.980 0.010 1 159 26 16 GLU HG2 H 2.445 0.010 1 160 26 16 GLU HG3 H 2.445 0.010 1 161 26 16 GLU C C 179.678 0.100 1 162 26 16 GLU CA C 59.888 0.100 1 163 26 16 GLU CB C 29.301 0.100 1 164 26 16 GLU CG C 37.286 0.100 1 165 26 16 GLU N N 121.800 0.100 1 166 27 17 LEU H H 7.837 0.010 1 167 27 17 LEU HA H 4.216 0.010 1 168 27 17 LEU HB2 H 1.826 0.010 2 169 27 17 LEU HB3 H 1.411 0.010 2 170 27 17 LEU HG H 1.695 0.010 1 171 27 17 LEU HD1 H 0.708 0.010 1 172 27 17 LEU HD2 H 0.708 0.010 1 173 27 17 LEU C C 178.972 0.100 1 174 27 17 LEU CA C 58.550 0.100 1 175 27 17 LEU CB C 42.197 0.100 1 176 27 17 LEU CG C 27.750 0.100 1 177 27 17 LEU CD1 C 24.577 0.100 1 178 27 17 LEU CD2 C 24.577 0.100 1 179 27 17 LEU N N 120.320 0.100 1 180 28 18 GLU H H 9.048 0.010 1 181 28 18 GLU HA H 4.172 0.010 1 182 28 18 GLU HB2 H 2.079 0.010 1 183 28 18 GLU HB3 H 2.079 0.010 1 184 28 18 GLU HG2 H 2.189 0.010 1 185 28 18 GLU HG3 H 2.189 0.010 1 186 28 18 GLU C C 179.678 0.100 1 187 28 18 GLU CA C 60.015 0.100 1 188 28 18 GLU CB C 29.371 0.100 1 189 28 18 GLU CG C 36.227 0.100 1 190 28 18 GLU N N 119.072 0.100 1 191 29 19 ARG H H 8.195 0.010 1 192 29 19 ARG HA H 3.994 0.010 1 193 29 19 ARG HB2 H 1.900 0.010 1 194 29 19 ARG HB3 H 1.900 0.010 1 195 29 19 ARG HG2 H 1.549 0.010 1 196 29 19 ARG HG3 H 1.549 0.010 1 197 29 19 ARG HD2 H 3.267 0.010 1 198 29 19 ARG HD3 H 3.267 0.010 1 199 29 19 ARG HE H 7.383 0.010 1 200 29 19 ARG C C 178.345 0.100 1 201 29 19 ARG CA C 59.892 0.100 1 202 29 19 ARG CB C 30.290 0.100 1 203 29 19 ARG CG C 27.048 0.100 1 204 29 19 ARG CD C 43.464 0.100 1 205 29 19 ARG N N 120.083 0.100 1 206 29 19 ARG NE N 83.957 0.100 1 207 30 20 ALA H H 7.756 0.010 1 208 30 20 ALA HA H 4.202 0.010 1 209 30 20 ALA HB H 1.500 0.010 1 210 30 20 ALA C C 179.965 0.100 1 211 30 20 ALA CA C 54.793 0.100 1 212 30 20 ALA CB C 18.278 0.100 1 213 30 20 ALA N N 119.056 0.100 1 214 31 21 PHE H H 8.454 0.010 1 215 31 21 PHE HA H 4.513 0.010 1 216 31 21 PHE HB2 H 3.133 0.010 1 217 31 21 PHE HB3 H 3.133 0.010 1 218 31 21 PHE HD1 H 7.740 0.010 1 219 31 21 PHE HD2 H 7.740 0.010 1 220 31 21 PHE HE1 H 7.080 0.010 1 221 31 21 PHE HE2 H 7.080 0.010 1 222 31 21 PHE HZ H 7.220 0.010 1 223 31 21 PHE C C 178.116 0.100 1 224 31 21 PHE CA C 62.664 0.100 1 225 31 21 PHE CB C 39.163 0.100 1 226 31 21 PHE CD1 C 131.720 0.100 1 227 31 21 PHE CD2 C 131.720 0.100 1 228 31 21 PHE CE1 C 130.560 0.100 1 229 31 21 PHE CE2 C 130.560 0.100 1 230 31 21 PHE CZ C 130.010 0.100 1 231 31 21 PHE N N 112.618 0.100 1 232 32 22 SER H H 8.793 0.010 1 233 32 22 SER HA H 5.033 0.010 1 234 32 22 SER HB2 H 4.068 0.010 1 235 32 22 SER HB3 H 4.068 0.010 1 236 32 22 SER C C 175.708 0.100 1 237 32 22 SER CA C 61.110 0.100 1 238 32 22 SER CB C 63.027 0.100 1 239 32 22 SER N N 115.160 0.100 1 240 33 23 TYR H H 6.889 0.010 1 241 33 23 TYR HA H 4.009 0.010 1 242 33 23 TYR HB2 H 3.058 0.010 2 243 33 23 TYR HB3 H 2.479 0.010 2 244 33 23 TYR HD1 H 7.430 0.010 1 245 33 23 TYR HD2 H 7.430 0.010 1 246 33 23 TYR HE1 H 6.800 0.010 1 247 33 23 TYR HE2 H 6.800 0.010 1 248 33 23 TYR C C 176.237 0.100 1 249 33 23 TYR CA C 61.017 0.100 1 250 33 23 TYR CB C 39.368 0.100 1 251 33 23 TYR CD1 C 131.720 0.100 1 252 33 23 TYR CD2 C 131.720 0.100 1 253 33 23 TYR CE1 C 118.800 0.100 1 254 33 23 TYR CE2 C 118.800 0.100 1 255 33 23 TYR N N 121.907 0.100 1 256 34 24 TYR H H 7.858 0.010 1 257 34 24 TYR HA H 4.023 0.010 1 258 34 24 TYR HB2 H 3.370 0.010 2 259 34 24 TYR HB3 H 3.103 0.010 2 260 34 24 TYR HD1 H 6.138 0.010 1 261 34 24 TYR HD2 H 6.138 0.010 1 262 34 24 TYR HE1 H 6.530 0.010 1 263 34 24 TYR HE2 H 6.530 0.010 1 264 34 24 TYR C C 174.593 0.100 1 265 34 24 TYR CA C 60.480 0.100 1 266 34 24 TYR CB C 38.952 0.100 1 267 34 24 TYR CD1 C 133.870 0.100 1 268 34 24 TYR CD2 C 133.870 0.100 1 269 34 24 TYR CE1 C 117.730 0.100 1 270 34 24 TYR CE2 C 117.730 0.100 1 271 34 24 TYR N N 113.736 0.100 1 272 35 25 GLY H H 7.399 0.010 1 273 35 25 GLY HA2 H 3.829 0.010 2 274 35 25 GLY HA3 H 4.127 0.010 2 275 35 25 GLY C C 169.778 0.100 1 276 35 25 GLY CA C 44.764 0.100 1 277 35 25 GLY N N 107.307 0.100 1 278 36 26 PRO HA H 4.409 0.010 1 279 36 26 PRO HB2 H 2.220 0.010 2 280 36 26 PRO HB3 H 1.886 0.010 2 281 36 26 PRO HG2 H 2.040 0.010 1 282 36 26 PRO HG3 H 2.040 0.010 1 283 36 26 PRO C C 177.938 0.100 1 284 36 26 PRO CA C 63.163 0.100 1 285 36 26 PRO CB C 32.191 0.100 1 286 36 26 PRO CG C 27.261 0.100 1 287 36 26 PRO CD C 50.171 0.100 1 288 37 27 LEU H H 8.723 0.010 1 289 37 27 LEU HA H 4.513 0.010 1 290 37 27 LEU HB2 H 1.585 0.010 1 291 37 27 LEU HB3 H 1.585 0.010 1 292 37 27 LEU HG H 1.622 0.010 1 293 37 27 LEU HD1 H 0.764 0.010 2 294 37 27 LEU HD2 H -0.192 0.010 2 295 37 27 LEU C C 177.474 0.100 1 296 37 27 LEU CA C 53.250 0.100 1 297 37 27 LEU CB C 43.059 0.100 1 298 37 27 LEU CG C 26.260 0.100 1 299 37 27 LEU CD1 C 22.930 0.100 1 300 37 27 LEU CD2 C 22.591 0.100 1 301 37 27 LEU N N 121.365 0.100 1 302 38 28 ARG H H 9.099 0.010 1 303 38 28 ARG HA H 4.395 0.010 1 304 38 28 ARG HB2 H 1.618 0.010 1 305 38 28 ARG HB3 H 1.618 0.010 1 306 38 28 ARG HG2 H 1.476 0.010 1 307 38 28 ARG HG3 H 1.476 0.010 1 308 38 28 ARG HD2 H 3.176 0.010 1 309 38 28 ARG HD3 H 3.176 0.010 1 310 38 28 ARG HE H 7.147 0.010 1 311 38 28 ARG C C 176.415 0.100 1 312 38 28 ARG CA C 57.583 0.100 1 313 38 28 ARG CB C 31.950 0.100 1 314 38 28 ARG CG C 26.872 0.100 1 315 38 28 ARG CD C 43.288 0.100 1 316 38 28 ARG N N 121.333 0.100 1 317 38 28 ARG NE N 84.645 0.100 1 318 39 29 THR H H 7.209 0.010 1 319 39 29 THR HA H 4.588 0.010 1 320 39 29 THR HB H 4.076 0.010 1 321 39 29 THR HG2 H 1.147 0.010 1 322 39 29 THR C C 172.084 0.100 1 323 39 29 THR CA C 61.482 0.100 1 324 39 29 THR CB C 71.689 0.100 1 325 39 29 THR CG2 C 21.223 0.100 1 326 39 29 THR N N 108.580 0.100 1 327 40 30 VAL H H 8.181 0.010 1 328 40 30 VAL HA H 4.454 0.010 1 329 40 30 VAL HB H 1.494 0.010 1 330 40 30 VAL HG1 H 0.397 0.010 1 331 40 30 VAL HG2 H 0.397 0.010 1 332 40 30 VAL C C 173.330 0.100 1 333 40 30 VAL CA C 62.106 0.100 1 334 40 30 VAL CB C 35.129 0.100 1 335 40 30 VAL CG1 C 22.571 0.100 1 336 40 30 VAL CG2 C 22.571 0.100 1 337 40 30 VAL N N 122.546 0.100 1 338 41 31 TRP H H 8.943 0.010 1 339 41 31 TRP HA H 4.647 0.010 1 340 41 31 TRP HB2 H 2.806 0.010 2 341 41 31 TRP HB3 H 2.717 0.010 2 342 41 31 TRP HD1 H 7.370 0.010 1 343 41 31 TRP HE1 H 10.145 0.010 1 344 41 31 TRP HE3 H 7.070 0.010 1 345 41 31 TRP HZ2 H 7.480 0.010 1 346 41 31 TRP HZ3 H 6.870 0.010 1 347 41 31 TRP HH2 H 7.200 0.010 1 348 41 31 TRP C C 173.804 0.100 1 349 41 31 TRP CA C 57.541 0.100 1 350 41 31 TRP CB C 31.950 0.100 1 351 41 31 TRP CD1 C 130.010 0.100 1 352 41 31 TRP CE3 C 119.520 0.100 1 353 41 31 TRP CZ2 C 114.610 0.100 1 354 41 31 TRP CZ3 C 118.700 0.100 1 355 41 31 TRP CH2 C 120.130 0.100 1 356 41 31 TRP N N 129.172 0.100 1 357 41 31 TRP NE1 N 129.930 0.100 1 358 42 32 ILE H H 7.757 0.010 1 359 42 32 ILE HA H 3.801 0.010 1 360 42 32 ILE HB H 1.329 0.010 1 361 42 32 ILE HG12 H 1.220 0.010 1 362 42 32 ILE HG13 H 1.220 0.010 1 363 42 32 ILE HG2 H 0.671 0.010 1 364 42 32 ILE HD1 H 0.553 0.010 1 365 42 32 ILE C C 173.508 0.100 1 366 42 32 ILE CA C 59.767 0.100 1 367 42 32 ILE CB C 39.898 0.100 1 368 42 32 ILE CG1 C 27.930 0.100 1 369 42 32 ILE CG2 C 17.164 0.100 1 370 42 32 ILE CD1 C 13.272 0.100 1 371 42 32 ILE N N 125.919 0.100 1 372 43 33 ALA H H 7.491 0.010 1 373 43 33 ALA HA H 3.237 0.010 1 374 43 33 ALA HB H 0.846 0.010 1 375 43 33 ALA C C 177.545 0.100 1 376 43 33 ALA CA C 53.063 0.100 1 377 43 33 ALA CB C 19.786 0.100 1 378 43 33 ALA N N 129.206 0.100 1 379 44 34 ARG H H 8.176 0.010 1 380 44 34 ARG HA H 4.246 0.010 1 381 44 34 ARG HB2 H 1.750 0.010 2 382 44 34 ARG HB3 H 1.658 0.010 2 383 44 34 ARG HG2 H 1.384 0.010 1 384 44 34 ARG HG3 H 1.384 0.010 1 385 44 34 ARG HD2 H 3.176 0.010 1 386 44 34 ARG HD3 H 3.176 0.010 1 387 44 34 ARG HE H 7.259 0.010 1 388 44 34 ARG C C 175.370 0.100 1 389 44 34 ARG CA C 55.477 0.100 1 390 44 34 ARG CB C 32.728 0.100 1 391 44 34 ARG CG C 27.225 0.100 1 392 44 34 ARG CD C 43.288 0.100 1 393 44 34 ARG N N 118.323 0.100 1 394 44 34 ARG NE N 84.527 0.100 1 395 45 35 ASN H H 8.205 0.010 1 396 45 35 ASN HA H 4.870 0.010 1 397 45 35 ASN HB2 H 2.618 0.010 2 398 45 35 ASN HB3 H 2.859 0.010 2 399 45 35 ASN HD21 H 7.662 0.010 1 400 45 35 ASN HD22 H 6.931 0.010 1 401 45 35 ASN C C 171.983 0.100 1 402 45 35 ASN CA C 51.527 0.100 1 403 45 35 ASN CB C 39.988 0.100 1 404 45 35 ASN N N 116.362 0.100 1 405 45 35 ASN ND2 N 112.855 0.100 1 406 47 37 PRO HA H 4.380 0.010 1 407 47 37 PRO HB2 H 2.153 0.010 2 408 47 37 PRO HB3 H 1.915 0.010 2 409 47 37 PRO HG2 H 2.011 0.010 1 410 47 37 PRO HG3 H 2.011 0.010 1 411 47 37 PRO HD2 H 3.643 0.010 1 412 47 37 PRO HD3 H 3.643 0.010 1 413 47 37 PRO C C 177.260 0.100 1 414 47 37 PRO CA C 63.005 0.100 1 415 47 37 PRO CB C 32.096 0.100 1 416 47 37 PRO CG C 27.308 0.100 1 417 47 37 PRO CD C 50.415 0.100 1 418 48 38 GLY H H 8.945 0.010 1 419 48 38 GLY HA2 H 3.934 0.010 2 420 48 38 GLY HA3 H 4.543 0.010 2 421 48 38 GLY C C 173.017 0.100 1 422 48 38 GLY CA C 46.259 0.100 1 423 48 38 GLY N N 106.284 0.100 1 424 49 39 PHE H H 7.245 0.010 1 425 49 39 PHE HA H 5.567 0.010 1 426 49 39 PHE HB2 H 3.207 0.010 2 427 49 39 PHE HB3 H 3.014 0.010 2 428 49 39 PHE HD1 H 7.070 0.010 1 429 49 39 PHE HD2 H 7.070 0.010 1 430 49 39 PHE HE1 H 7.370 0.010 1 431 49 39 PHE HE2 H 7.370 0.010 1 432 49 39 PHE HZ H 7.230 0.010 1 433 49 39 PHE C C 172.855 0.100 1 434 49 39 PHE CA C 55.741 0.100 1 435 49 39 PHE CB C 41.487 0.100 1 436 49 39 PHE CD1 C 132.050 0.100 1 437 49 39 PHE CD2 C 132.050 0.100 1 438 49 39 PHE CE1 C 131.610 0.100 1 439 49 39 PHE CE2 C 131.610 0.100 1 440 49 39 PHE CZ C 131.700 0.100 1 441 49 39 PHE N N 117.153 0.100 1 442 50 40 ALA H H 8.967 0.010 1 443 50 40 ALA HA H 4.870 0.010 1 444 50 40 ALA HB H 1.129 0.010 1 445 50 40 ALA C C 175.115 0.100 1 446 50 40 ALA CA C 50.754 0.100 1 447 50 40 ALA CB C 24.374 0.100 1 448 50 40 ALA N N 122.620 0.100 1 449 51 41 PHE H H 9.258 0.010 1 450 51 41 PHE HA H 4.885 0.010 1 451 51 41 PHE HB2 H 2.895 0.010 2 452 51 41 PHE HB3 H 2.717 0.010 2 453 51 41 PHE HD1 H 7.160 0.010 1 454 51 41 PHE HD2 H 7.160 0.010 1 455 51 41 PHE HE1 H 6.800 0.010 1 456 51 41 PHE HE2 H 6.800 0.010 1 457 51 41 PHE HZ H 7.250 0.010 1 458 51 41 PHE C C 174.640 0.100 1 459 51 41 PHE CA C 56.857 0.100 1 460 51 41 PHE CB C 43.600 0.100 1 461 51 41 PHE CD1 C 131.330 0.100 1 462 51 41 PHE CD2 C 131.330 0.100 1 463 51 41 PHE CE1 C 133.020 0.100 1 464 51 41 PHE CE2 C 133.020 0.100 1 465 51 41 PHE CZ C 129.750 0.100 1 466 51 41 PHE N N 113.914 0.100 1 467 52 42 VAL H H 9.209 0.010 1 468 52 42 VAL HA H 4.439 0.010 1 469 52 42 VAL HB H 1.468 0.010 1 470 52 42 VAL HG1 H 0.383 0.010 1 471 52 42 VAL HG2 H 0.383 0.010 1 472 52 42 VAL C C 174.023 0.100 1 473 52 42 VAL CA C 60.676 0.100 1 474 52 42 VAL CB C 34.515 0.100 1 475 52 42 VAL CG1 C 22.597 0.100 1 476 52 42 VAL CG2 C 22.597 0.100 1 477 52 42 VAL N N 121.009 0.100 1 478 53 43 GLU H H 8.825 0.010 1 479 53 43 GLU HA H 5.063 0.010 1 480 53 43 GLU HB2 H 2.074 0.010 1 481 53 43 GLU HB3 H 2.074 0.010 1 482 53 43 GLU HG2 H 2.203 0.010 1 483 53 43 GLU HG3 H 2.203 0.010 1 484 53 43 GLU C C 175.442 0.100 1 485 53 43 GLU CA C 54.599 0.100 1 486 53 43 GLU CB C 32.412 0.100 1 487 53 43 GLU CG C 35.975 0.100 1 488 53 43 GLU N N 126.692 0.100 1 489 54 44 PHE H H 9.051 0.010 1 490 54 44 PHE HA H 4.558 0.010 1 491 54 44 PHE HB2 H 2.659 0.010 1 492 54 44 PHE HB3 H 2.659 0.010 1 493 54 44 PHE HD1 H 7.800 0.010 1 494 54 44 PHE HD2 H 7.800 0.010 1 495 54 44 PHE HE1 H 7.200 0.010 1 496 54 44 PHE HE2 H 7.200 0.010 1 497 54 44 PHE HZ H 6.700 0.010 1 498 54 44 PHE C C 176.474 0.100 1 499 54 44 PHE CA C 58.558 0.100 1 500 54 44 PHE CB C 41.426 0.100 1 501 54 44 PHE CD1 C 130.520 0.100 1 502 54 44 PHE CD2 C 130.520 0.100 1 503 54 44 PHE CE1 C 130.140 0.100 1 504 54 44 PHE CE2 C 130.140 0.100 1 505 54 44 PHE CZ C 127.780 0.100 1 506 54 44 PHE N N 127.206 0.100 1 507 55 45 GLU H H 8.115 0.010 1 508 55 45 GLU HA H 4.068 0.010 1 509 55 45 GLU HB2 H 2.151 0.010 1 510 55 45 GLU HB3 H 2.151 0.010 1 511 55 45 GLU HG2 H 2.446 0.010 1 512 55 45 GLU HG3 H 2.446 0.010 1 513 55 45 GLU C C 176.493 0.100 1 514 55 45 GLU CA C 59.403 0.100 1 515 55 45 GLU CB C 29.867 0.100 1 516 55 45 GLU CG C 37.154 0.100 1 517 55 45 GLU N N 120.806 0.100 1 518 56 46 ASP H H 9.609 0.010 1 519 56 46 ASP HA H 5.299 0.010 1 520 56 46 ASP HB2 H 2.552 0.010 1 521 56 46 ASP HB3 H 2.552 0.010 1 522 56 46 ASP C C 175.377 0.100 1 523 56 46 ASP CA C 50.363 0.100 1 524 56 46 ASP CB C 44.234 0.100 1 525 56 46 ASP N N 121.308 0.100 1 526 57 47 PRO HA H 4.115 0.010 1 527 57 47 PRO HB2 H 2.353 0.010 2 528 57 47 PRO HB3 H 2.082 0.010 2 529 57 47 PRO HG2 H 1.668 0.010 1 530 57 47 PRO HG3 H 1.668 0.010 1 531 57 47 PRO HD2 H 3.217 0.010 1 532 57 47 PRO HD3 H 3.217 0.010 1 533 57 47 PRO C C 178.365 0.100 1 534 57 47 PRO CA C 58.860 0.100 1 535 57 47 PRO CB C 32.570 0.100 1 536 57 47 PRO CG C 27.017 0.100 1 537 57 47 PRO CD C 43.347 0.100 1 538 58 48 ARG H H 8.656 0.010 1 539 58 48 ARG HA H 4.048 0.010 1 540 58 48 ARG HB2 H 1.811 0.010 1 541 58 48 ARG HB3 H 1.811 0.010 1 542 58 48 ARG HG2 H 1.680 0.010 1 543 58 48 ARG HG3 H 1.680 0.010 1 544 58 48 ARG HD2 H 3.250 0.010 1 545 58 48 ARG HD3 H 3.250 0.010 1 546 58 48 ARG HE H 7.688 0.010 1 547 58 48 ARG C C 178.972 0.100 1 548 58 48 ARG CA C 58.916 0.100 1 549 58 48 ARG CB C 29.413 0.100 1 550 58 48 ARG CG C 27.347 0.100 1 551 58 48 ARG CD C 43.165 0.100 1 552 58 48 ARG N N 119.317 0.100 1 553 58 48 ARG NE N 84.740 0.100 1 554 59 49 ASP H H 7.248 0.010 1 555 59 49 ASP HA H 4.160 0.010 1 556 59 49 ASP HB2 H 2.941 0.010 2 557 59 49 ASP HB3 H 2.534 0.010 2 558 59 49 ASP C C 176.968 0.100 1 559 59 49 ASP CA C 56.954 0.100 1 560 59 49 ASP CB C 40.431 0.100 1 561 59 49 ASP N N 121.048 0.100 1 562 60 50 ALA H H 6.645 0.010 1 563 60 50 ALA HA H 2.760 0.010 1 564 60 50 ALA HB H 1.201 0.010 1 565 60 50 ALA C C 178.439 0.100 1 566 60 50 ALA CA C 54.280 0.100 1 567 60 50 ALA CB C 18.459 0.100 1 568 60 50 ALA N N 119.455 0.100 1 569 61 51 GLU H H 7.488 0.010 1 570 61 51 GLU HA H 3.709 0.010 1 571 61 51 GLU HB2 H 2.270 0.010 1 572 61 51 GLU HB3 H 2.270 0.010 1 573 61 51 GLU HG2 H 2.470 0.010 1 574 61 51 GLU HG3 H 2.470 0.010 1 575 61 51 GLU C C 179.293 0.100 1 576 61 51 GLU CA C 59.793 0.100 1 577 61 51 GLU CB C 29.413 0.100 1 578 61 51 GLU CG C 36.514 0.100 1 579 61 51 GLU N N 115.866 0.100 1 580 62 52 ASP H H 7.760 0.010 1 581 62 52 ASP HA H 4.296 0.010 1 582 62 52 ASP HB2 H 3.008 0.010 2 583 62 52 ASP HB3 H 2.760 0.010 2 584 62 52 ASP C C 178.280 0.100 1 585 62 52 ASP CA C 57.139 0.100 1 586 62 52 ASP CB C 40.190 0.100 1 587 62 52 ASP N N 119.935 0.100 1 588 63 53 ALA H H 7.847 0.010 1 589 63 53 ALA HA H 2.286 0.010 1 590 63 53 ALA HB H 1.292 0.010 1 591 63 53 ALA C C 178.810 0.100 1 592 63 53 ALA CA C 54.280 0.100 1 593 63 53 ALA CB C 19.666 0.100 1 594 63 53 ALA N N 124.442 0.100 1 595 64 54 VAL H H 7.798 0.010 1 596 64 54 VAL HA H 3.392 0.010 1 597 64 54 VAL HB H 2.148 0.010 1 598 64 54 VAL HG1 H 1.027 0.010 1 599 64 54 VAL HG2 H 1.027 0.010 1 600 64 54 VAL C C 178.068 0.100 1 601 64 54 VAL CA C 66.788 0.100 1 602 64 54 VAL CB C 31.461 0.100 1 603 64 54 VAL CG1 C 21.235 0.100 1 604 64 54 VAL CG2 C 23.653 0.100 1 605 64 54 VAL N N 117.753 0.100 1 606 65 55 ARG H H 7.364 0.010 1 607 65 55 ARG HA H 4.048 0.010 1 608 65 55 ARG HB2 H 1.856 0.010 1 609 65 55 ARG HB3 H 1.856 0.010 1 610 65 55 ARG HG2 H 1.651 0.010 1 611 65 55 ARG HG3 H 1.651 0.010 1 612 65 55 ARG HD2 H 3.250 0.010 1 613 65 55 ARG HD3 H 3.250 0.010 1 614 65 55 ARG HE H 7.413 0.010 1 615 65 55 ARG C C 179.606 0.100 1 616 65 55 ARG CA C 58.834 0.100 1 617 65 55 ARG CB C 30.518 0.100 1 618 65 55 ARG CG C 28.066 0.100 1 619 65 55 ARG CD C 43.165 0.100 1 620 65 55 ARG N N 116.315 0.100 1 621 65 55 ARG NE N 84.076 0.100 1 622 66 56 GLY H H 8.152 0.010 1 623 66 56 GLY HA2 H 3.776 0.010 2 624 66 56 GLY HA3 H 4.025 0.010 2 625 66 56 GLY C C 175.442 0.100 1 626 66 56 GLY CA C 46.259 0.100 1 627 66 56 GLY N N 105.400 0.100 1 628 67 57 LEU H H 8.069 0.010 1 629 67 57 LEU HA H 4.499 0.010 1 630 67 57 LEU HB2 H 1.608 0.010 1 631 67 57 LEU HB3 H 1.608 0.010 1 632 67 57 LEU HG H 1.396 0.010 1 633 67 57 LEU HD1 H -0.070 0.010 2 634 67 57 LEU HD2 H 0.751 0.010 2 635 67 57 LEU C C 177.013 0.100 1 636 67 57 LEU CA C 55.136 0.100 1 637 67 57 LEU CB C 44.169 0.100 1 638 67 57 LEU CG C 27.173 0.100 1 639 67 57 LEU CD1 C 24.662 0.100 1 640 67 57 LEU CD2 C 22.930 0.100 1 641 67 57 LEU N N 117.261 0.100 1 642 68 58 ASP H H 7.630 0.010 1 643 68 58 ASP HA H 4.319 0.010 1 644 68 58 ASP HB2 H 3.234 0.010 2 645 68 58 ASP HB3 H 2.624 0.010 2 646 68 58 ASP C C 178.280 0.100 1 647 68 58 ASP CA C 58.219 0.100 1 648 68 58 ASP CB C 41.605 0.100 1 649 68 58 ASP N N 117.146 0.100 1 650 69 59 GLY H H 8.697 0.010 1 651 69 59 GLY HA2 H 3.731 0.010 2 652 69 59 GLY HA3 H 4.183 0.010 2 653 69 59 GLY C C 174.036 0.100 1 654 69 59 GLY CA C 46.167 0.100 1 655 69 59 GLY N N 115.277 0.100 1 656 70 60 LYS H H 7.924 0.010 1 657 70 60 LYS HA H 4.469 0.010 1 658 70 60 LYS HB2 H 1.680 0.010 1 659 70 60 LYS HB3 H 1.680 0.010 1 660 70 60 LYS HG2 H 1.283 0.010 1 661 70 60 LYS HG3 H 1.283 0.010 1 662 70 60 LYS HD2 H 1.643 0.010 1 663 70 60 LYS HD3 H 1.643 0.010 1 664 70 60 LYS HE2 H 3.143 0.010 1 665 70 60 LYS HE3 H 3.143 0.010 1 666 70 60 LYS C C 174.779 0.100 1 667 70 60 LYS CA C 54.004 0.100 1 668 70 60 LYS CB C 32.169 0.100 1 669 70 60 LYS CG C 25.861 0.100 1 670 70 60 LYS CD C 32.257 0.100 1 671 70 60 LYS CE C 43.220 0.100 1 672 70 60 LYS N N 120.570 0.100 1 673 71 61 VAL H H 8.128 0.010 1 674 71 61 VAL HA H 4.522 0.010 1 675 71 61 VAL HB H 1.909 0.010 1 676 71 61 VAL HG1 H 0.680 0.010 2 677 71 61 VAL HG2 H 0.843 0.010 2 678 71 61 VAL C C 176.742 0.100 1 679 71 61 VAL CA C 62.159 0.100 1 680 71 61 VAL CB C 31.225 0.100 1 681 71 61 VAL CG1 C 19.900 0.100 1 682 71 61 VAL CG2 C 21.595 0.100 1 683 71 61 VAL N N 119.008 0.100 1 684 72 62 ILE H H 8.789 0.010 1 685 72 62 ILE HA H 4.296 0.010 1 686 72 62 ILE HB H 1.670 0.010 1 687 72 62 ILE HG12 H 0.916 0.010 2 688 72 62 ILE HG13 H 1.082 0.010 2 689 72 62 ILE HG2 H 0.930 0.010 1 690 72 62 ILE HD1 H 0.847 0.010 1 691 72 62 ILE C C 175.203 0.100 1 692 72 62 ILE CA C 60.532 0.100 1 693 72 62 ILE CB C 41.133 0.100 1 694 72 62 ILE CG1 C 24.830 0.100 1 695 72 62 ILE CG2 C 17.280 0.100 1 696 72 62 ILE CD1 C 13.865 0.100 1 697 72 62 ILE N N 127.846 0.100 1 698 73 63 CYS H H 9.473 0.010 1 699 73 63 CYS HA H 3.912 0.010 1 700 73 63 CYS HB2 H 3.144 0.010 2 701 73 63 CYS HB3 H 2.828 0.010 2 702 73 63 CYS C C 175.890 0.100 1 703 73 63 CYS CA C 60.321 0.100 1 704 73 63 CYS CB C 25.675 0.100 1 705 73 63 CYS N N 122.140 0.100 1 706 74 64 GLY H H 8.392 0.010 1 707 74 64 GLY HA2 H 3.505 0.010 2 708 74 64 GLY HA3 H 4.093 0.010 2 709 74 64 GLY C C 173.894 0.100 1 710 74 64 GLY CA C 45.707 0.100 1 711 74 64 GLY N N 103.452 0.100 1 712 75 65 SER H H 7.695 0.010 1 713 75 65 SER HA H 4.725 0.010 1 714 75 65 SER HB2 H 3.889 0.010 2 715 75 65 SER HB3 H 3.641 0.010 2 716 75 65 SER C C 171.607 0.100 1 717 75 65 SER CA C 57.007 0.100 1 718 75 65 SER CB C 65.806 0.100 1 719 75 65 SER N N 116.129 0.100 1 720 76 66 ARG H H 8.684 0.010 1 721 76 66 ARG HA H 4.499 0.010 1 722 76 66 ARG HB2 H 1.743 0.010 1 723 76 66 ARG HB3 H 1.743 0.010 1 724 76 66 ARG HG2 H 1.486 0.010 1 725 76 66 ARG HG3 H 1.486 0.010 1 726 76 66 ARG HD2 H 3.177 0.010 1 727 76 66 ARG HD3 H 3.177 0.010 1 728 76 66 ARG HE H 7.812 0.010 1 729 76 66 ARG C C 176.398 0.100 1 730 76 66 ARG CA C 55.975 0.100 1 731 76 66 ARG CB C 29.233 0.100 1 732 76 66 ARG CG C 27.167 0.100 1 733 76 66 ARG CD C 43.345 0.100 1 734 76 66 ARG N N 125.417 0.100 1 735 76 66 ARG NE N 84.574 0.100 1 736 77 67 VAL H H 8.491 0.010 1 737 77 67 VAL HA H 4.725 0.010 1 738 77 67 VAL HB H 1.909 0.010 1 739 77 67 VAL HG1 H 0.930 0.010 2 740 77 67 VAL HG2 H 0.760 0.010 2 741 77 67 VAL C C 175.923 0.100 1 742 77 67 VAL CA C 61.263 0.100 1 743 77 67 VAL CB C 33.459 0.100 1 744 77 67 VAL CG1 C 20.500 0.100 1 745 77 67 VAL CG2 C 21.720 0.100 1 746 77 67 VAL N N 122.600 0.100 1 747 78 68 ARG H H 7.785 0.010 1 748 78 68 ARG HA H 5.087 0.010 1 749 78 68 ARG HB2 H 1.730 0.010 1 750 78 68 ARG HB3 H 1.730 0.010 1 751 78 68 ARG HG2 H 1.541 0.010 1 752 78 68 ARG HG3 H 1.541 0.010 1 753 78 68 ARG HD2 H 3.342 0.010 1 754 78 68 ARG HD3 H 3.342 0.010 1 755 78 68 ARG HE H 7.812 0.010 1 756 78 68 ARG C C 175.424 0.100 1 757 78 68 ARG CA C 53.390 0.100 1 758 78 68 ARG CB C 32.191 0.100 1 759 78 68 ARG CG C 32.200 0.100 1 760 78 68 ARG CD C 43.165 0.100 1 761 78 68 ARG N N 121.451 0.100 1 762 78 68 ARG NE N 84.574 0.100 1 763 79 69 VAL H H 9.464 0.010 1 764 79 69 VAL HA H 5.413 0.010 1 765 79 69 VAL HB H 1.964 0.010 1 766 79 69 VAL HG1 H 1.090 0.010 2 767 79 69 VAL HG2 H 0.930 0.010 2 768 79 69 VAL C C 174.408 0.100 1 769 79 69 VAL CA C 60.964 0.100 1 770 79 69 VAL CB C 34.367 0.100 1 771 79 69 VAL CG1 C 23.822 0.100 1 772 79 69 VAL CG2 C 23.822 0.100 1 773 79 69 VAL N N 126.293 0.100 1 774 80 70 GLU H H 9.047 0.010 1 775 80 70 GLU HA H 4.843 0.010 1 776 80 70 GLU HB2 H 2.167 0.010 1 777 80 70 GLU HB3 H 2.167 0.010 1 778 80 70 GLU HG2 H 2.354 0.010 1 779 80 70 GLU HG3 H 2.354 0.010 1 780 80 70 GLU C C 175.020 0.100 1 781 80 70 GLU CA C 54.536 0.100 1 782 80 70 GLU CB C 34.515 0.100 1 783 80 70 GLU CG C 36.085 0.100 1 784 80 70 GLU N N 122.174 0.100 1 785 81 71 LEU H H 9.039 0.010 1 786 81 71 LEU HA H 4.501 0.010 1 787 81 71 LEU HB2 H 1.743 0.010 1 788 81 71 LEU HB3 H 1.743 0.010 1 789 81 71 LEU HG H 1.450 0.010 1 790 81 71 LEU HD1 H 0.870 0.010 2 791 81 71 LEU HD2 H 1.060 0.010 2 792 81 71 LEU C C 177.775 0.100 1 793 81 71 LEU CA C 55.623 0.100 1 794 81 71 LEU CB C 42.671 0.100 1 795 81 71 LEU CG C 26.807 0.100 1 796 81 71 LEU CD1 C 23.530 0.100 1 797 81 71 LEU CD2 C 25.960 0.100 1 798 81 71 LEU N N 122.682 0.100 1 799 82 72 SER H H 8.455 0.010 1 800 82 72 SER HA H 4.503 0.010 1 801 82 72 SER HB2 H 3.844 0.010 2 802 82 72 SER HB3 H 3.709 0.010 2 803 82 72 SER C C 174.593 0.100 1 804 82 72 SER CA C 58.521 0.100 1 805 82 72 SER CB C 64.093 0.100 1 806 82 72 SER N N 116.853 0.100 1 807 83 73 THR H H 8.108 0.010 1 808 83 73 THR HA H 4.341 0.010 1 809 83 73 THR HB H 4.306 0.010 1 810 83 73 THR HG2 H 1.207 0.010 1 811 83 73 THR C C 175.049 0.100 1 812 83 73 THR CA C 61.769 0.100 1 813 83 73 THR CB C 69.818 0.100 1 814 83 73 THR CG2 C 21.650 0.100 1 815 83 73 THR N N 114.806 0.100 1 816 84 74 GLY H H 8.294 0.010 1 817 84 74 GLY HA2 H 3.799 0.010 2 818 84 74 GLY HA3 H 3.980 0.010 2 819 84 74 GLY C C 173.552 0.100 1 820 84 74 GLY CA C 45.021 0.100 1 821 84 74 GLY N N 110.082 0.100 1 822 85 75 MET H H 8.129 0.010 1 823 85 75 MET HA H 4.717 0.010 1 824 85 75 MET HB2 H 1.818 0.010 1 825 85 75 MET HB3 H 1.818 0.010 1 826 85 75 MET HG2 H 2.552 0.010 1 827 85 75 MET HG3 H 2.552 0.010 1 828 85 75 MET C C 176.556 0.100 1 829 85 75 MET CA C 53.292 0.100 1 830 85 75 MET CB C 32.518 0.100 1 831 85 75 MET CG C 32.020 0.100 1 832 85 75 MET N N 120.719 0.100 1 833 86 76 PRO HA H 4.582 0.010 1 834 86 76 PRO HB2 H 2.396 0.010 2 835 86 76 PRO HB3 H 2.090 0.010 2 836 86 76 PRO HG2 H 1.994 0.010 1 837 86 76 PRO HG3 H 1.994 0.010 1 838 86 76 PRO HD2 H 3.579 0.010 1 839 86 76 PRO HD3 H 3.579 0.010 1 840 86 76 PRO C C 176.431 0.100 1 841 86 76 PRO CA C 62.412 0.100 1 842 86 76 PRO CB C 34.737 0.100 1 843 86 76 PRO CG C 24.332 0.100 1 844 86 76 PRO CD C 50.415 0.100 1 845 87 77 ARG H H 8.618 0.010 1 846 87 77 ARG HA H 4.375 0.010 1 847 87 77 ARG HB2 H 1.550 0.010 1 848 87 77 ARG HB3 H 1.550 0.010 1 849 87 77 ARG HG2 H 1.541 0.010 1 850 87 77 ARG HG3 H 1.541 0.010 1 851 87 77 ARG HD2 H 3.195 0.010 1 852 87 77 ARG HD3 H 3.195 0.010 1 853 87 77 ARG HE H 7.413 0.010 1 854 87 77 ARG C C 177.013 0.100 1 855 87 77 ARG CA C 55.308 0.100 1 856 87 77 ARG CB C 42.504 0.100 1 857 87 77 ARG CG C 26.807 0.100 1 858 87 77 ARG CD C 43.165 0.100 1 859 87 77 ARG N N 122.950 0.100 1 860 87 77 ARG NE N 84.076 0.100 1 861 88 78 ARG H H 8.468 0.010 1 862 88 78 ARG HA H 4.251 0.010 1 863 88 78 ARG HB2 H 1.927 0.010 1 864 88 78 ARG HB3 H 1.927 0.010 1 865 88 78 ARG HG2 H 1.762 0.010 1 866 88 78 ARG HG3 H 1.762 0.010 1 867 88 78 ARG HD2 H 3.158 0.010 1 868 88 78 ARG HD3 H 3.158 0.010 1 869 88 78 ARG HE H 7.688 0.010 1 870 88 78 ARG C C 176.255 0.100 1 871 88 78 ARG CA C 56.171 0.100 1 872 88 78 ARG CB C 30.924 0.100 1 873 88 78 ARG CG C 27.167 0.100 1 874 88 78 ARG CD C 42.985 0.100 1 875 88 78 ARG N N 121.793 0.100 1 876 88 78 ARG NE N 84.740 0.100 1 877 89 79 SER H H 8.431 0.010 1 878 89 79 SER HA H 4.432 0.010 1 879 89 79 SER HB2 H 3.818 0.010 1 880 89 79 SER HB3 H 3.818 0.010 1 881 89 79 SER C C 174.714 0.100 1 882 89 79 SER CA C 58.228 0.100 1 883 89 79 SER CB C 64.142 0.100 1 884 89 79 SER N N 117.188 0.100 1 885 90 80 ARG H H 8.395 0.010 1 886 90 80 ARG HA H 4.195 0.010 1 887 90 80 ARG HB2 H 1.670 0.010 1 888 90 80 ARG HB3 H 1.670 0.010 1 889 90 80 ARG HG2 H 1.357 0.010 1 890 90 80 ARG HG3 H 1.357 0.010 1 891 90 80 ARG HD2 H 3.269 0.010 1 892 90 80 ARG HD3 H 3.269 0.010 1 893 90 80 ARG HE H 7.259 0.010 1 894 90 80 ARG C C 176.018 0.100 1 895 90 80 ARG CA C 56.465 0.100 1 896 90 80 ARG CB C 30.501 0.100 1 897 90 80 ARG CG C 26.448 0.100 1 898 90 80 ARG CD C 43.345 0.100 1 899 90 80 ARG N N 122.801 0.100 1 900 90 80 ARG NE N 84.574 0.100 1 901 91 81 PHE H H 8.190 0.010 1 902 91 81 PHE HA H 4.627 0.010 1 903 91 81 PHE HB2 H 3.224 0.010 2 904 91 81 PHE HB3 H 2.882 0.010 2 905 91 81 PHE HD1 H 7.217 0.010 1 906 91 81 PHE HD2 H 7.217 0.010 1 907 91 81 PHE C C 175.329 0.100 1 908 91 81 PHE CA C 57.444 0.100 1 909 91 81 PHE CB C 39.374 0.100 1 910 91 81 PHE CD1 C 131.350 0.100 1 911 91 81 PHE CD2 C 131.350 0.100 1 912 91 81 PHE N N 119.688 0.100 1 913 92 82 ASP H H 8.155 0.010 1 914 92 82 ASP HA H 4.566 0.010 1 915 92 82 ASP HB2 H 2.586 0.010 2 916 92 82 ASP HB3 H 2.612 0.010 2 917 92 82 ASP C C 176.350 0.100 1 918 92 82 ASP CA C 54.017 0.100 1 919 92 82 ASP CB C 41.276 0.100 1 920 92 82 ASP N N 121.677 0.100 1 921 93 83 ARG H H 8.070 0.010 1 922 93 83 ARG HA H 4.049 0.010 1 923 93 83 ARG HB2 H 1.872 0.010 1 924 93 83 ARG HB3 H 1.872 0.010 1 925 93 83 ARG HG2 H 1.559 0.010 1 926 93 83 ARG HG3 H 1.559 0.010 1 927 93 83 ARG HD2 H 3.140 0.010 1 928 93 83 ARG HD3 H 3.140 0.010 1 929 93 83 ARG HE H 7.247 0.010 1 930 93 83 ARG C C 176.920 0.100 1 931 93 83 ARG CA C 56.801 0.100 1 932 93 83 ARG CB C 32.614 0.100 1 933 93 83 ARG CG C 27.706 0.100 1 934 93 83 ARG CD C 43.165 0.100 1 935 93 83 ARG N N 121.148 0.100 1 936 93 83 ARG NE N 83.744 0.100 1 937 95 85 PRO HA H 4.413 0.010 1 938 95 85 PRO HB2 H 2.263 0.010 2 939 95 85 PRO HB3 H 1.879 0.010 2 940 95 85 PRO HG2 H 2.015 0.010 1 941 95 85 PRO HG3 H 2.015 0.010 1 942 95 85 PRO HD2 H 3.669 0.010 1 943 95 85 PRO HD3 H 3.669 0.010 1 944 95 85 PRO C C 176.597 0.100 1 945 95 85 PRO CA C 63.014 0.100 1 946 95 85 PRO CB C 31.963 0.100 1 947 95 85 PRO CG C 27.039 0.100 1 948 95 85 PRO CD C 50.049 0.100 1 949 96 86 ALA H H 8.415 0.010 1 950 96 86 ALA HA H 4.249 0.010 1 951 96 86 ALA HB H 1.337 0.010 1 952 96 86 ALA C C 177.870 0.100 1 953 96 86 ALA CA C 52.548 0.100 1 954 96 86 ALA CB C 19.092 0.100 1 955 96 86 ALA N N 124.129 0.100 1 956 97 87 ARG H H 8.354 0.010 1 957 97 87 ARG HA H 4.273 0.010 1 958 97 87 ARG HB2 H 1.811 0.010 1 959 97 87 ARG HB3 H 1.811 0.010 1 960 97 87 ARG HG2 H 1.651 0.010 1 961 97 87 ARG HG3 H 1.651 0.010 1 962 97 87 ARG HD2 H 3.177 0.010 1 963 97 87 ARG HD3 H 3.177 0.010 1 964 97 87 ARG HE H 7.293 0.010 1 965 97 87 ARG C C 176.348 0.100 1 966 97 87 ARG CA C 56.165 0.100 1 967 97 87 ARG CB C 30.853 0.100 1 968 97 87 ARG CG C 27.167 0.100 1 969 97 87 ARG CD C 43.345 0.100 1 970 97 87 ARG N N 120.467 0.100 1 971 97 87 ARG NE N 84.527 0.100 1 972 98 88 ARG H H 8.373 0.010 1 973 98 88 ARG HA H 4.267 0.010 1 974 98 88 ARG HB2 H 1.743 0.010 1 975 98 88 ARG HB3 H 1.743 0.010 1 976 98 88 ARG HG2 H 1.615 0.010 1 977 98 88 ARG HG3 H 1.615 0.010 1 978 98 88 ARG HD2 H 3.177 0.010 1 979 98 88 ARG HD3 H 3.177 0.010 1 980 98 88 ARG HE H 7.259 0.010 1 981 98 88 ARG C C 176.398 0.100 1 982 98 88 ARG CA C 56.465 0.100 1 983 98 88 ARG CB C 30.501 0.100 1 984 98 88 ARG CG C 27.167 0.100 1 985 98 88 ARG CD C 43.345 0.100 1 986 98 88 ARG N N 122.471 0.100 1 987 98 88 ARG NE N 84.574 0.100 1 988 99 89 LYS H H 8.501 0.010 1 989 99 89 LYS HA H 4.375 0.010 1 990 99 89 LYS HB2 H 1.784 0.010 2 991 99 89 LYS HB3 H 1.796 0.010 2 992 99 89 LYS HG2 H 1.449 0.010 1 993 99 89 LYS HG3 H 1.449 0.010 1 994 99 89 LYS HD2 H 1.762 0.010 1 995 99 89 LYS HD3 H 1.762 0.010 1 996 99 89 LYS HE2 H 3.030 0.010 1 997 99 89 LYS HE3 H 3.030 0.010 1 998 99 89 LYS C C 176.255 0.100 1 999 99 89 LYS CA C 58.130 0.100 1 1000 99 89 LYS CB C 30.924 0.100 1 1001 99 89 LYS CG C 24.830 0.100 1 1002 99 89 LYS CD C 28.605 0.100 1 1003 99 89 LYS CE C 41.907 0.100 1 1004 99 89 LYS N N 123.029 0.100 1 1005 100 90 LEU H H 8.407 0.010 1 1006 100 90 LEU HA H 4.243 0.010 1 1007 100 90 LEU HB2 H 1.798 0.010 1 1008 100 90 LEU HB3 H 1.798 0.010 1 1009 100 90 LEU HG H 1.559 0.010 1 1010 100 90 LEU HD1 H 0.751 0.010 2 1011 100 90 LEU HD2 H 0.898 0.010 2 1012 100 90 LEU C C 176.493 0.100 1 1013 100 90 LEU CA C 56.563 0.100 1 1014 100 90 LEU CB C 33.073 0.100 1 1015 100 90 LEU CG C 26.987 0.100 1 1016 100 90 LEU CD1 C 25.010 0.100 1 1017 100 90 LEU CD2 C 25.010 0.100 1 1018 100 90 LEU N N 123.090 0.100 1 1019 101 91 LEU H H 8.271 0.010 1 1020 101 91 LEU HA H 4.311 0.010 1 1021 101 91 LEU HB2 H 1.640 0.010 1 1022 101 91 LEU HB3 H 1.640 0.010 1 1023 101 91 LEU HG H 1.468 0.010 1 1024 101 91 LEU HD1 H 0.879 0.010 1 1025 101 91 LEU HD2 H 0.879 0.010 1 1026 101 91 LEU C C 177.205 0.100 1 1027 101 91 LEU CA C 55.485 0.100 1 1028 101 91 LEU CB C 42.332 0.100 1 1029 101 91 LEU CG C 27.167 0.100 1 1030 101 91 LEU CD1 C 24.650 0.100 1 1031 101 91 LEU CD2 C 24.650 0.100 1 1032 101 91 LEU N N 123.676 0.100 1 1033 102 92 GLU H H 8.275 0.010 1 1034 102 92 GLU HA H 4.243 0.010 1 1035 102 92 GLU HB2 H 1.960 0.010 1 1036 102 92 GLU HB3 H 1.960 0.010 1 1037 102 92 GLU HG2 H 2.190 0.010 1 1038 102 92 GLU HG3 H 2.190 0.010 1 1039 102 92 GLU C C 176.440 0.100 1 1040 102 92 GLU CA C 56.794 0.100 1 1041 102 92 GLU CB C 30.360 0.100 1 1042 102 92 GLU CG C 36.250 0.100 1 1043 102 92 GLU N N 121.686 0.100 1 1044 103 93 VAL H H 8.079 0.010 1 1045 103 93 VAL HA H 4.025 0.010 1 1046 103 93 VAL HB H 2.036 0.010 1 1047 103 93 VAL HG1 H 0.900 0.010 1 1048 103 93 VAL HG2 H 0.900 0.010 1 1049 103 93 VAL C C 176.015 0.100 1 1050 103 93 VAL CA C 62.680 0.100 1 1051 103 93 VAL CB C 32.518 0.100 1 1052 103 93 VAL CG1 C 20.750 0.100 1 1053 103 93 VAL CG2 C 20.750 0.100 1 1054 103 93 VAL N N 120.981 0.100 1 1055 104 94 LEU H H 8.196 0.010 1 1056 104 94 LEU HA H 4.291 0.010 1 1057 104 94 LEU HB2 H 1.392 0.010 2 1058 104 94 LEU HB3 H 1.532 0.010 2 1059 104 94 LEU HG H 1.540 0.010 1 1060 104 94 LEU HD1 H 0.870 0.010 1 1061 104 94 LEU HD2 H 0.870 0.010 1 1062 104 94 LEU C C 176.920 0.100 1 1063 104 94 LEU CA C 55.192 0.100 1 1064 104 94 LEU CB C 42.332 0.100 1 1065 104 94 LEU CG C 27.000 0.100 1 1066 104 94 LEU CD1 C 24.950 0.100 1 1067 104 94 LEU CD2 C 24.950 0.100 1 1068 104 94 LEU N N 125.259 0.100 1 1069 105 95 PHE H H 8.214 0.010 1 1070 105 95 PHE HA H 4.582 0.010 1 1071 105 95 PHE HB2 H 3.020 0.010 1 1072 105 95 PHE HB3 H 3.020 0.010 1 1073 105 95 PHE HD1 H 6.790 0.010 1 1074 105 95 PHE HD2 H 6.790 0.010 1 1075 105 95 PHE HE1 H 6.140 0.010 1 1076 105 95 PHE HE2 H 6.140 0.010 1 1077 105 95 PHE HZ H 7.445 0.010 1 1078 105 95 PHE C C 175.400 0.100 1 1079 105 95 PHE CA C 57.934 0.100 1 1080 105 95 PHE CB C 39.586 0.100 1 1081 105 95 PHE CD1 C 132.970 0.100 1 1082 105 95 PHE CD2 C 132.970 0.100 1 1083 105 95 PHE CE1 C 133.106 0.100 1 1084 105 95 PHE CE2 C 133.106 0.100 1 1085 105 95 PHE CZ C 131.640 0.100 1 1086 105 95 PHE N N 121.289 0.100 1 1087 106 96 ASN H H 8.233 0.010 1 1088 106 96 ASN HA H 4.340 0.010 1 1089 106 96 ASN HB2 H 2.673 0.010 2 1090 106 96 ASN HB3 H 2.822 0.010 2 1091 106 96 ASN HD21 H 8.007 0.010 2 1092 106 96 ASN HD22 H 6.843 0.010 2 1093 106 96 ASN C C 175.543 0.100 1 1094 106 96 ASN CA C 55.479 0.100 1 1095 106 96 ASN CB C 29.929 0.100 1 1096 106 96 ASN N N 122.648 0.100 1 1097 106 96 ASN ND2 N 112.504 0.100 1 1098 107 97 GLY H H 7.947 0.010 1 1099 107 97 GLY HA2 H 4.015 0.010 2 1100 107 97 GLY HA3 H 4.033 0.010 2 1101 107 97 GLY C C 171.805 0.100 1 1102 107 97 GLY CA C 44.796 0.100 1 1103 107 97 GLY N N 110.220 0.100 1 1104 108 98 PRO HA H 4.364 0.010 1 1105 108 98 PRO HB2 H 2.192 0.010 2 1106 108 98 PRO HB3 H 1.807 0.010 2 1107 108 98 PRO HG2 H 2.017 0.010 1 1108 108 98 PRO HG3 H 2.017 0.010 1 1109 108 98 PRO HD2 H 3.605 0.010 1 1110 108 98 PRO HD3 H 3.605 0.010 1 1111 108 98 PRO C C 176.540 0.100 1 1112 108 98 PRO CA C 63.173 0.100 1 1113 108 98 PRO CB C 31.983 0.100 1 1114 108 98 PRO CG C 27.290 0.100 1 1115 108 98 PRO CD C 50.170 0.100 1 1116 109 99 LEU H H 8.463 0.010 1 1117 109 99 LEU HA H 4.235 0.010 1 1118 109 99 LEU HB2 H 1.720 0.010 1 1119 109 99 LEU HB3 H 1.720 0.010 1 1120 109 99 LEU HG H 1.368 0.010 1 1121 109 99 LEU HD1 H 0.930 0.010 1 1122 109 99 LEU HD2 H 0.930 0.010 1 1123 109 99 LEU C C 176.920 0.100 1 1124 109 99 LEU CA C 55.210 0.100 1 1125 109 99 LEU CB C 42.351 0.100 1 1126 109 99 LEU CG C 26.870 0.100 1 1127 109 99 LEU CD1 C 23.000 0.100 1 1128 109 99 LEU CD2 C 23.000 0.100 1 1129 109 99 LEU N N 121.693 0.100 1 1130 110 100 GLU H H 8.215 0.010 1 1131 110 100 GLU HA H 4.177 0.010 1 1132 110 100 GLU HB2 H 1.860 0.010 1 1133 110 100 GLU HB3 H 1.860 0.010 1 1134 110 100 GLU HG2 H 2.207 0.010 1 1135 110 100 GLU HG3 H 2.207 0.010 1 1136 110 100 GLU C C 176.160 0.100 1 1137 110 100 GLU CA C 56.465 0.100 1 1138 110 100 GLU CB C 30.290 0.100 1 1139 110 100 GLU CG C 35.690 0.100 1 1140 110 100 GLU N N 120.923 0.100 1 1141 111 101 HIS H H 8.448 0.010 1 1142 111 101 HIS HA H 4.800 0.010 1 1143 111 101 HIS HB2 H 3.055 0.010 2 1144 111 101 HIS HB3 H 3.143 0.010 2 1145 111 101 HIS C C 174.477 0.100 1 1146 111 101 HIS CA C 55.479 0.100 1 1147 111 101 HIS CB C 29.233 0.100 1 1148 111 101 HIS N N 119.493 0.100 1 stop_ save_