data_25038 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural Investigation of hnRNP L ; _BMRB_accession_number 25038 _BMRB_flat_file_name bmr25038.str _Entry_type original _Submission_date 2014-06-24 _Accession_date 2014-06-24 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'First RNA Recognition Motif Domain of hnRNP L' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Blatter Markus . . 2 Allain Frederic . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 555 "13C chemical shifts" 318 "15N chemical shifts" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-05-04 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25056 'Cyp33RRM90 MLLPHD3 H3K4me3' stop_ _Original_release_date 2015-05-04 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Investigation of hnRNP L ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Blatter Markus . . 2 Allain Frederic . . stop_ _Journal_abbreviation 'To be Published' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'hnRNP L' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 11386.674 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 105 _Mol_residue_sequence ; GENYDDPHKTPASPVVHIRG LIDGVVEADLVEALQEFGPI SYVVVMPKKRQALVEFEDVL GACNAVNYAADNQIYIAGHP AFVNYSTSQKISRPGDSDDS RSVNS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 84 GLY 2 85 GLU 3 86 ASN 4 87 TYR 5 88 ASP 6 89 ASP 7 90 PRO 8 91 HIS 9 92 LYS 10 93 THR 11 94 PRO 12 95 ALA 13 96 SER 14 97 PRO 15 98 VAL 16 99 VAL 17 100 HIS 18 101 ILE 19 102 ARG 20 103 GLY 21 104 LEU 22 105 ILE 23 106 ASP 24 107 GLY 25 108 VAL 26 109 VAL 27 110 GLU 28 111 ALA 29 112 ASP 30 113 LEU 31 114 VAL 32 115 GLU 33 116 ALA 34 117 LEU 35 118 GLN 36 119 GLU 37 120 PHE 38 121 GLY 39 122 PRO 40 123 ILE 41 124 SER 42 125 TYR 43 126 VAL 44 127 VAL 45 128 VAL 46 129 MET 47 130 PRO 48 131 LYS 49 132 LYS 50 133 ARG 51 134 GLN 52 135 ALA 53 136 LEU 54 137 VAL 55 138 GLU 56 139 PHE 57 140 GLU 58 141 ASP 59 142 VAL 60 143 LEU 61 144 GLY 62 145 ALA 63 146 CYS 64 147 ASN 65 148 ALA 66 149 VAL 67 150 ASN 68 151 TYR 69 152 ALA 70 153 ALA 71 154 ASP 72 155 ASN 73 156 GLN 74 157 ILE 75 158 TYR 76 159 ILE 77 160 ALA 78 161 GLY 79 162 HIS 80 163 PRO 81 164 ALA 82 165 PHE 83 166 VAL 84 167 ASN 85 168 TYR 86 169 SER 87 170 THR 88 171 SER 89 172 GLN 90 173 LYS 91 174 ILE 92 175 SER 93 176 ARG 94 177 PRO 95 178 GLY 96 179 ASP 97 180 SER 98 181 ASP 99 182 ASP 100 183 SER 101 184 ARG 102 185 SER 103 186 VAL 104 187 ASN 105 188 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 2MQL "Structural Investigation Of Hnrnp L" 100.00 105 100.00 100.00 1.71e-69 PDB 3R27 "Crystal Structure Of The First Rrm Domain Of Heterogeneous Nuclear Ribonucleoprotein L (Hnrnp L)" 86.67 100 100.00 100.00 1.27e-58 DBJ BAB18649 "heterogeneous nuclear ribonucleoprotein L [Homo sapiens]" 100.00 589 100.00 100.00 7.65e-64 DBJ BAC39565 "unnamed protein product [Mus musculus]" 100.00 329 100.00 100.00 3.25e-67 DBJ BAE02304 "unnamed protein product [Macaca fascicularis]" 57.14 456 100.00 100.00 4.99e-31 DBJ BAE26011 "unnamed protein product [Mus musculus]" 100.00 592 100.00 100.00 1.30e-63 DBJ BAF84804 "unnamed protein product [Homo sapiens]" 57.14 456 100.00 100.00 5.04e-31 EMBL CAA34261 "unnamed protein product [Homo sapiens]" 100.00 558 100.00 100.00 5.56e-64 GB AAH27206 "Heterogeneous nuclear ribonucleoprotein L [Mus musculus]" 100.00 555 100.00 100.00 5.78e-64 GB AAH69184 "HNRNPL protein, partial [Homo sapiens]" 100.00 572 100.00 100.00 5.87e-64 GB AAH99683 "Hnrpl protein [Mus musculus]" 100.00 586 100.00 100.00 7.65e-64 GB AAI69048 "Hnrnpl protein [Rattus norvegicus]" 100.00 571 100.00 100.00 7.34e-64 GB EAW56826 "heterogeneous nuclear ribonucleoprotein L, isoform CRA_a [Homo sapiens]" 100.00 557 99.05 99.05 5.24e-63 PRF 1604358A "nuclear RNP protein L" 100.00 558 100.00 100.00 5.56e-64 REF NP_001005335 "heterogeneous nuclear ribonucleoprotein L isoform b [Homo sapiens]" 57.14 456 100.00 100.00 5.04e-31 REF NP_001128232 "heterogeneous nuclear ribonucleoprotein L isoform a [Rattus norvegicus]" 100.00 623 100.00 100.00 1.57e-63 REF NP_001178959 "heterogeneous nuclear ribonucleoprotein L [Bos taurus]" 100.00 588 100.00 100.00 7.28e-64 REF NP_001252929 "heterogeneous nuclear ribonucleoprotein L [Macaca mulatta]" 100.00 589 100.00 100.00 7.97e-64 REF NP_001267082 "heterogeneous nuclear ribonucleoprotein L [Pan troglodytes]" 100.00 558 100.00 100.00 5.92e-64 SP P14866 "RecName: Full=Heterogeneous nuclear ribonucleoprotein L; Short=hnRNP L" 100.00 589 100.00 100.00 7.97e-64 SP Q8R081 "RecName: Full=Heterogeneous nuclear ribonucleoprotein L; Short=hnRNP L" 100.00 586 100.00 100.00 7.65e-64 TPG DAA19831 "TPA: heterogeneous nuclear ribonucleoprotein L [Bos taurus]" 100.00 588 100.00 100.00 7.28e-64 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Rat 10116 Eukaryota Metazoa Rattus norvegicus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . pTYB11 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'pH 6.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1-2 mM '[U-100% 15N]' 'sodium chloride' 60 mM 'natural abundance' 'sodium phosphate' 40 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1-2 mM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 60 mM 'natural abundance' 'sodium phosphate' 40 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1-2 mM '[U-100% 15N]' 'sodium chloride' 60 mM 'natural abundance' 'sodium phosphate' 40 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6.5 . pH pressure 1 . atm temperature 310.15 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _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 84 1 GLY HA2 H 3.879 0.000 . 2 84 1 GLY HA3 H 3.879 0.000 . 3 84 1 GLY CA C 43.565 0.000 . 4 85 2 GLU HA H 4.330 0.000 . 5 85 2 GLU HB2 H 2.237 0.000 . 6 85 2 GLU HB3 H 2.237 0.000 . 7 85 2 GLU HG2 H 1.952 0.000 . 8 85 2 GLU HG3 H 1.851 0.000 . 9 85 2 GLU CA C 56.443 0.000 . 10 85 2 GLU CB C 36.172 0.000 . 11 85 2 GLU CG C 30.629 0.012 . 12 86 3 ASN H H 8.492 0.000 . 13 86 3 ASN HA H 4.698 0.000 . 14 86 3 ASN HB2 H 2.788 0.000 . 15 86 3 ASN HB3 H 2.714 0.000 . 16 86 3 ASN HD21 H 7.574 0.000 . 17 86 3 ASN HD22 H 6.905 0.000 . 18 86 3 ASN CA C 53.187 0.000 . 19 86 3 ASN CB C 39.214 0.001 . 20 86 3 ASN N N 119.520 0.000 . 21 86 3 ASN ND2 N 113.049 0.001 . 22 87 4 TYR H H 8.173 0.000 . 23 87 4 TYR HA H 4.577 0.000 . 24 87 4 TYR HB2 H 3.097 0.000 . 25 87 4 TYR HB3 H 2.928 0.000 . 26 87 4 TYR HD1 H 7.094 0.000 . 27 87 4 TYR HD2 H 7.094 0.000 . 28 87 4 TYR HE1 H 6.813 0.000 . 29 87 4 TYR HE2 H 6.813 0.000 . 30 87 4 TYR CA C 57.914 0.000 . 31 87 4 TYR CB C 38.717 0.023 . 32 87 4 TYR CD1 C 133.266 0.000 . 33 87 4 TYR CE1 C 118.343 0.000 . 34 87 4 TYR N N 121.070 0.000 . 35 88 5 ASP H H 8.205 0.000 . 36 88 5 ASP HA H 4.590 0.000 . 37 88 5 ASP HB2 H 2.601 0.000 . 38 88 5 ASP HB3 H 2.601 0.000 . 39 88 5 ASP CA C 54.121 0.000 . 40 88 5 ASP CB C 41.463 0.000 . 41 88 5 ASP N N 121.903 0.000 . 42 89 6 ASP H H 8.035 0.000 . 43 89 6 ASP HA H 4.835 0.000 . 44 89 6 ASP HB2 H 2.779 0.000 . 45 89 6 ASP HB3 H 2.605 0.000 . 46 89 6 ASP CA C 52.104 0.000 . 47 89 6 ASP CB C 41.814 0.009 . 48 89 6 ASP N N 121.760 0.000 . 49 90 7 PRO HA H 4.448 0.000 . 50 90 7 PRO HB2 H 2.261 0.000 . 51 90 7 PRO HB3 H 1.777 0.000 . 52 90 7 PRO HG2 H 2.004 0.000 . 53 90 7 PRO HG3 H 1.768 0.000 . 54 90 7 PRO HD2 H 3.852 0.000 . 55 90 7 PRO HD3 H 3.852 0.000 . 56 90 7 PRO CA C 63.833 0.000 . 57 90 7 PRO CB C 32.184 0.004 . 58 90 7 PRO CG C 27.003 0.020 . 59 90 7 PRO CD C 50.913 0.000 . 60 91 8 HIS H H 8.467 0.000 . 61 91 8 HIS HA H 4.682 0.000 . 62 91 8 HIS HB2 H 3.317 0.000 . 63 91 8 HIS HB3 H 3.201 0.000 . 64 91 8 HIS HD2 H 7.210 0.000 . 65 91 8 HIS HE1 H 8.225 0.000 . 66 91 8 HIS CA C 56.221 0.000 . 67 91 8 HIS CB C 29.264 0.002 . 68 91 8 HIS CD2 C 120.264 0.000 . 69 91 8 HIS CE1 C 137.411 0.000 . 70 91 8 HIS N N 117.637 0.000 . 71 92 9 LYS H H 7.923 0.000 . 72 92 9 LYS HA H 4.418 0.000 . 73 92 9 LYS HB2 H 1.925 0.000 . 74 92 9 LYS HB3 H 1.806 0.000 . 75 92 9 LYS HG2 H 1.461 0.000 . 76 92 9 LYS HG3 H 1.410 0.000 . 77 92 9 LYS HD2 H 1.735 0.000 . 78 92 9 LYS HD3 H 1.735 0.000 . 79 92 9 LYS HE2 H 3.048 0.000 . 80 92 9 LYS HE3 H 3.048 0.000 . 81 92 9 LYS CA C 56.110 0.000 . 82 92 9 LYS CB C 33.133 0.001 . 83 92 9 LYS CG C 24.843 0.006 . 84 92 9 LYS CD C 29.077 0.000 . 85 92 9 LYS CE C 42.258 0.000 . 86 92 9 LYS N N 121.067 0.000 . 87 93 10 THR H H 8.105 0.000 . 88 93 10 THR HA H 4.541 0.000 . 89 93 10 THR HB H 4.159 0.000 . 90 93 10 THR HG2 H 1.316 0.000 . 91 93 10 THR CA C 60.550 0.000 . 92 93 10 THR CB C 70.341 0.000 . 93 93 10 THR CG2 C 21.960 0.000 . 94 93 10 THR N N 119.990 0.000 . 95 94 11 PRO HA H 4.284 0.000 . 96 94 11 PRO HB2 H 2.260 0.000 . 97 94 11 PRO HB3 H 2.260 0.000 . 98 94 11 PRO HG2 H 1.971 0.000 . 99 94 11 PRO HG3 H 1.814 0.000 . 100 94 11 PRO HD2 H 3.911 0.000 . 101 94 11 PRO HD3 H 3.699 0.000 . 102 94 11 PRO CA C 62.477 0.000 . 103 94 11 PRO CB C 32.245 0.000 . 104 94 11 PRO CG C 27.434 0.033 . 105 94 11 PRO CD C 51.165 0.003 . 106 95 12 ALA H H 7.689 0.000 . 107 95 12 ALA HA H 1.942 0.000 . 108 95 12 ALA HB H 0.829 0.000 . 109 95 12 ALA CA C 52.176 0.000 . 110 95 12 ALA CB C 19.077 0.000 . 111 95 12 ALA N N 121.588 0.000 . 112 96 13 SER H H 6.513 0.000 . 113 96 13 SER HA H 4.972 0.000 . 114 96 13 SER HB2 H 4.117 0.000 . 115 96 13 SER HB3 H 3.925 0.000 . 116 96 13 SER CA C 53.248 0.000 . 117 96 13 SER CB C 67.028 0.010 . 118 96 13 SER N N 115.382 0.000 . 119 97 14 PRO HA H 4.618 0.000 . 120 97 14 PRO HB2 H 2.327 0.000 . 121 97 14 PRO HB3 H 2.327 0.000 . 122 97 14 PRO HG2 H 2.081 0.000 . 123 97 14 PRO HG3 H 2.020 0.000 . 124 97 14 PRO HD2 H 3.842 0.000 . 125 97 14 PRO HD3 H 3.664 0.000 . 126 97 14 PRO CA C 64.555 0.000 . 127 97 14 PRO CB C 32.140 0.000 . 128 97 14 PRO CG C 27.491 0.019 . 129 97 14 PRO CD C 50.659 0.023 . 130 98 15 VAL H H 8.573 0.000 . 131 98 15 VAL HA H 5.052 0.000 . 132 98 15 VAL HB H 2.168 0.000 . 133 98 15 VAL HG1 H 0.812 0.000 . 134 98 15 VAL HG2 H 0.705 0.000 . 135 98 15 VAL CA C 60.937 0.000 . 136 98 15 VAL CB C 31.783 0.000 . 137 98 15 VAL CG1 C 23.097 0.000 . 138 98 15 VAL CG2 C 21.769 0.000 . 139 98 15 VAL N N 119.140 0.000 . 140 99 16 VAL H H 9.500 0.000 . 141 99 16 VAL HA H 4.972 0.000 . 142 99 16 VAL HB H 2.122 0.000 . 143 99 16 VAL HG1 H 0.954 0.000 . 144 99 16 VAL HG2 H 1.141 0.000 . 145 99 16 VAL CA C 59.440 0.000 . 146 99 16 VAL CB C 33.979 0.000 . 147 99 16 VAL CG1 C 22.366 0.000 . 148 99 16 VAL CG2 C 21.278 0.000 . 149 99 16 VAL N N 120.615 0.000 . 150 100 17 HIS H H 9.477 0.000 . 151 100 17 HIS HA H 5.324 0.000 . 152 100 17 HIS HB2 H 3.108 0.000 . 153 100 17 HIS HB3 H 2.691 0.000 . 154 100 17 HIS HD2 H 7.022 0.000 . 155 100 17 HIS HE1 H 7.694 0.000 . 156 100 17 HIS CA C 54.340 0.000 . 157 100 17 HIS CB C 34.115 0.012 . 158 100 17 HIS CD2 C 117.275 0.000 . 159 100 17 HIS CE1 C 137.665 0.000 . 160 100 17 HIS N N 125.469 0.000 . 161 101 18 ILE H H 9.384 0.000 . 162 101 18 ILE HA H 5.213 0.000 . 163 101 18 ILE HB H 1.898 0.000 . 164 101 18 ILE HG12 H 1.442 0.000 . 165 101 18 ILE HG13 H 1.226 0.000 . 166 101 18 ILE HG2 H 0.852 0.000 . 167 101 18 ILE HD1 H 0.794 0.000 . 168 101 18 ILE CA C 59.309 0.000 . 169 101 18 ILE CB C 38.955 0.000 . 170 101 18 ILE CG1 C 28.349 0.040 . 171 101 18 ILE CG2 C 19.359 0.000 . 172 101 18 ILE CD1 C 14.654 0.000 . 173 101 18 ILE N N 128.404 0.000 . 174 102 19 ARG H H 8.972 0.000 . 175 102 19 ARG HA H 5.130 0.000 . 176 102 19 ARG HB2 H 1.937 0.000 . 177 102 19 ARG HB3 H 1.819 0.000 . 178 102 19 ARG HG2 H 1.568 0.000 . 179 102 19 ARG HG3 H 1.440 0.000 . 180 102 19 ARG HD2 H 3.083 0.000 . 181 102 19 ARG HD3 H 3.083 0.000 . 182 102 19 ARG HE H 6.898 0.000 . 183 102 19 ARG CA C 54.218 0.000 . 184 102 19 ARG CB C 34.282 0.010 . 185 102 19 ARG CG C 28.038 0.002 . 186 102 19 ARG CD C 43.372 0.000 . 187 102 19 ARG N N 123.920 0.000 . 188 102 19 ARG NE N 85.522 0.000 . 189 103 20 GLY H H 9.082 0.000 . 190 103 20 GLY HA2 H 4.369 0.000 . 191 103 20 GLY HA3 H 3.968 0.000 . 192 103 20 GLY CA C 45.876 0.005 . 193 103 20 GLY N N 108.133 0.000 . 194 104 21 LEU H H 7.352 0.000 . 195 104 21 LEU HA H 4.256 0.000 . 196 104 21 LEU HB2 H 1.472 0.000 . 197 104 21 LEU HB3 H 1.294 0.000 . 198 104 21 LEU HG H 1.377 0.000 . 199 104 21 LEU HD1 H 0.608 0.000 . 200 104 21 LEU HD2 H 0.811 0.000 . 201 104 21 LEU CA C 54.576 0.000 . 202 104 21 LEU CB C 42.832 0.004 . 203 104 21 LEU CG C 27.245 0.000 . 204 104 21 LEU CD1 C 25.978 0.000 . 205 104 21 LEU CD2 C 23.790 0.000 . 206 104 21 LEU N N 116.963 0.000 . 207 105 22 ILE H H 7.619 0.000 . 208 105 22 ILE HA H 4.291 0.000 . 209 105 22 ILE HB H 1.773 0.000 . 210 105 22 ILE HG12 H 1.244 0.000 . 211 105 22 ILE HG13 H 1.059 0.000 . 212 105 22 ILE HG2 H 0.624 0.000 . 213 105 22 ILE HD1 H 0.732 0.000 . 214 105 22 ILE CA C 60.060 0.000 . 215 105 22 ILE CB C 39.592 0.000 . 216 105 22 ILE CG1 C 26.227 0.013 . 217 105 22 ILE CG2 C 17.696 0.000 . 218 105 22 ILE CD1 C 14.130 0.000 . 219 105 22 ILE N N 115.391 0.000 . 220 106 23 ASP H H 7.998 0.000 . 221 106 23 ASP HA H 4.430 0.000 . 222 106 23 ASP HB2 H 2.614 0.000 . 223 106 23 ASP HB3 H 2.511 0.000 . 224 106 23 ASP CA C 55.770 0.000 . 225 106 23 ASP CB C 41.147 0.005 . 226 106 23 ASP N N 119.972 0.000 . 227 107 24 GLY H H 8.524 0.000 . 228 107 24 GLY HA2 H 4.164 0.000 . 229 107 24 GLY HA3 H 3.702 0.000 . 230 107 24 GLY CA C 45.444 0.006 . 231 107 24 GLY N N 109.601 0.000 . 232 108 25 VAL H H 7.024 0.000 . 233 108 25 VAL HA H 4.072 0.000 . 234 108 25 VAL HB H 1.981 0.000 . 235 108 25 VAL HG1 H 1.022 0.000 . 236 108 25 VAL HG2 H 0.920 0.000 . 237 108 25 VAL CA C 63.360 0.000 . 238 108 25 VAL CB C 32.128 0.000 . 239 108 25 VAL CG1 C 23.438 0.000 . 240 108 25 VAL CG2 C 22.181 0.000 . 241 108 25 VAL N N 120.038 0.000 . 242 109 26 VAL H H 8.880 0.000 . 243 109 26 VAL HA H 4.799 0.000 . 244 109 26 VAL HB H 2.499 0.000 . 245 109 26 VAL HG1 H 1.011 0.000 . 246 109 26 VAL HG2 H 0.966 0.000 . 247 109 26 VAL CA C 59.127 0.000 . 248 109 26 VAL CB C 35.660 0.000 . 249 109 26 VAL CG1 C 21.621 0.000 . 250 109 26 VAL CG2 C 19.092 0.000 . 251 109 26 VAL N N 119.135 0.000 . 252 110 27 GLU H H 9.603 0.000 . 253 110 27 GLU HA H 3.607 0.000 . 254 110 27 GLU HB2 H 2.103 0.000 . 255 110 27 GLU HB3 H 1.885 0.000 . 256 110 27 GLU HG2 H 2.340 0.000 . 257 110 27 GLU HG3 H 2.070 0.000 . 258 110 27 GLU CA C 61.975 0.000 . 259 110 27 GLU CB C 28.929 0.009 . 260 110 27 GLU CG C 37.174 0.007 . 261 110 27 GLU N N 122.627 0.000 . 262 111 28 ALA H H 8.604 0.000 . 263 111 28 ALA HA H 4.072 0.000 . 264 111 28 ALA HB H 1.441 0.000 . 265 111 28 ALA CA C 55.422 0.000 . 266 111 28 ALA CB C 18.647 0.000 . 267 111 28 ALA N N 118.291 0.000 . 268 112 29 ASP H H 7.612 0.000 . 269 112 29 ASP HA H 4.476 0.000 . 270 112 29 ASP HB2 H 3.045 0.000 . 271 112 29 ASP HB3 H 2.603 0.000 . 272 112 29 ASP CA C 57.490 0.000 . 273 112 29 ASP CB C 42.002 0.010 . 274 112 29 ASP N N 115.647 0.000 . 275 113 30 LEU H H 7.319 0.000 . 276 113 30 LEU HA H 3.996 0.000 . 277 113 30 LEU HB2 H 2.143 0.000 . 278 113 30 LEU HB3 H 1.269 0.000 . 279 113 30 LEU HG H 1.490 0.000 . 280 113 30 LEU HD1 H 0.708 0.000 . 281 113 30 LEU HD2 H 0.753 0.000 . 282 113 30 LEU CA C 57.822 0.000 . 283 113 30 LEU CB C 41.117 0.014 . 284 113 30 LEU CG C 28.339 0.000 . 285 113 30 LEU CD1 C 26.939 0.000 . 286 113 30 LEU CD2 C 25.805 0.000 . 287 113 30 LEU N N 120.848 0.000 . 288 114 31 VAL H H 7.856 0.000 . 289 114 31 VAL HA H 3.368 0.000 . 290 114 31 VAL HB H 2.015 0.000 . 291 114 31 VAL HG1 H 0.941 0.000 . 292 114 31 VAL HG2 H 0.907 0.000 . 293 114 31 VAL CA C 66.945 0.000 . 294 114 31 VAL CB C 31.915 0.000 . 295 114 31 VAL CG1 C 22.726 0.000 . 296 114 31 VAL CG2 C 21.338 0.000 . 297 114 31 VAL N N 118.911 0.000 . 298 115 32 GLU H H 8.067 0.000 . 299 115 32 GLU HA H 3.976 0.000 . 300 115 32 GLU HB2 H 2.208 0.000 . 301 115 32 GLU HB3 H 2.077 0.000 . 302 115 32 GLU HG2 H 2.402 0.000 . 303 115 32 GLU HG3 H 2.337 0.000 . 304 115 32 GLU CA C 59.362 0.000 . 305 115 32 GLU CB C 29.691 0.005 . 306 115 32 GLU CG C 36.184 0.002 . 307 115 32 GLU N N 117.004 0.000 . 308 116 33 ALA H H 7.115 0.000 . 309 116 33 ALA HA H 4.478 0.000 . 310 116 33 ALA HB H 1.677 0.000 . 311 116 33 ALA CA C 54.046 0.000 . 312 116 33 ALA CB C 21.467 0.000 . 313 116 33 ALA N N 116.819 0.000 . 314 117 34 LEU H H 7.827 0.000 . 315 117 34 LEU HA H 5.046 0.000 . 316 117 34 LEU HB2 H 2.051 0.000 . 317 117 34 LEU HB3 H 1.905 0.000 . 318 117 34 LEU HG H 1.938 0.000 . 319 117 34 LEU HD1 H 0.924 0.000 . 320 117 34 LEU HD2 H 1.115 0.000 . 321 117 34 LEU CA C 55.269 0.000 . 322 117 34 LEU CB C 43.448 0.006 . 323 117 34 LEU CG C 27.956 0.000 . 324 117 34 LEU CD1 C 27.052 0.000 . 325 117 34 LEU CD2 C 23.470 0.000 . 326 117 34 LEU N N 114.158 0.000 . 327 118 35 GLN H H 8.506 0.000 . 328 118 35 GLN HA H 4.682 0.000 . 329 118 35 GLN HB2 H 2.279 0.000 . 330 118 35 GLN HB3 H 2.218 0.000 . 331 118 35 GLN HG2 H 2.624 0.000 . 332 118 35 GLN HG3 H 2.268 0.000 . 333 118 35 GLN HE21 H 7.424 0.000 . 334 118 35 GLN HE22 H 6.718 0.000 . 335 118 35 GLN CA C 57.942 0.000 . 336 118 35 GLN CB C 26.773 0.000 . 337 118 35 GLN CG C 32.647 0.006 . 338 118 35 GLN N N 118.824 0.000 . 339 118 35 GLN NE2 N 110.535 0.000 . 340 119 36 GLU H H 7.928 0.000 . 341 119 36 GLU HA H 3.995 0.000 . 342 119 36 GLU HB2 H 1.584 0.000 . 343 119 36 GLU HB3 H 1.533 0.000 . 344 119 36 GLU HG2 H 1.308 0.000 . 345 119 36 GLU HG3 H 1.308 0.000 . 346 119 36 GLU CA C 57.622 0.000 . 347 119 36 GLU CB C 29.050 0.022 . 348 119 36 GLU CG C 35.380 0.000 . 349 119 36 GLU N N 117.865 0.000 . 350 120 37 PHE H H 7.791 0.000 . 351 120 37 PHE HA H 4.529 0.000 . 352 120 37 PHE HB2 H 3.569 0.000 . 353 120 37 PHE HB3 H 3.145 0.000 . 354 120 37 PHE HD1 H 7.118 0.000 . 355 120 37 PHE HD2 H 7.118 0.000 . 356 120 37 PHE HE1 H 6.997 0.000 . 357 120 37 PHE HE2 H 6.997 0.000 . 358 120 37 PHE HZ H 6.488 0.000 . 359 120 37 PHE CA C 59.579 0.000 . 360 120 37 PHE CB C 38.359 0.004 . 361 120 37 PHE CD2 C 128.546 0.000 . 362 120 37 PHE CE2 C 131.356 0.000 . 363 120 37 PHE CZ C 129.725 0.000 . 364 120 37 PHE N N 118.581 0.000 . 365 121 38 GLY H H 7.475 0.000 . 366 121 38 GLY HA2 H 4.390 0.000 . 367 121 38 GLY HA3 H 4.148 0.000 . 368 121 38 GLY CA C 44.976 0.002 . 369 121 38 GLY N N 107.714 0.000 . 370 122 39 PRO HA H 4.595 0.000 . 371 122 39 PRO HB2 H 2.342 0.000 . 372 122 39 PRO HB3 H 1.967 0.000 . 373 122 39 PRO HG2 H 2.181 0.000 . 374 122 39 PRO HG3 H 2.110 0.000 . 375 122 39 PRO HD2 H 3.843 0.000 . 376 122 39 PRO HD3 H 3.721 0.000 . 377 122 39 PRO CA C 63.244 0.000 . 378 122 39 PRO CB C 32.142 0.019 . 379 122 39 PRO CG C 28.273 0.012 . 380 122 39 PRO CD C 49.822 0.002 . 381 123 40 ILE H H 8.653 0.000 . 382 123 40 ILE HA H 3.971 0.000 . 383 123 40 ILE HB H 1.581 0.000 . 384 123 40 ILE HG12 H 1.738 0.000 . 385 123 40 ILE HG13 H 0.110 0.000 . 386 123 40 ILE HG2 H 0.518 0.000 . 387 123 40 ILE HD1 H 0.548 0.000 . 388 123 40 ILE CA C 61.760 0.000 . 389 123 40 ILE CB C 40.972 0.000 . 390 123 40 ILE CG1 C 28.755 0.007 . 391 123 40 ILE CG2 C 18.082 0.000 . 392 123 40 ILE CD1 C 14.700 0.000 . 393 123 40 ILE N N 125.208 0.000 . 394 124 41 SER H H 9.281 0.000 . 395 124 41 SER HA H 4.651 0.000 . 396 124 41 SER HB2 H 3.693 0.000 . 397 124 41 SER HB3 H 3.640 0.000 . 398 124 41 SER CA C 59.320 0.000 . 399 124 41 SER CB C 64.823 0.007 . 400 124 41 SER N N 122.827 0.000 . 401 125 42 TYR H H 7.947 0.000 . 402 125 42 TYR HA H 4.610 0.000 . 403 125 42 TYR HB2 H 3.020 0.000 . 404 125 42 TYR HB3 H 2.546 0.000 . 405 125 42 TYR HD1 H 6.998 0.000 . 406 125 42 TYR HD2 H 6.998 0.000 . 407 125 42 TYR HE1 H 6.757 0.000 . 408 125 42 TYR HE2 H 6.757 0.000 . 409 125 42 TYR CA C 59.112 0.000 . 410 125 42 TYR CB C 42.865 0.002 . 411 125 42 TYR CD1 C 133.019 0.000 . 412 125 42 TYR CE1 C 118.237 0.000 . 413 125 42 TYR N N 121.148 0.000 . 414 126 43 VAL H H 7.443 0.000 . 415 126 43 VAL HA H 4.749 0.000 . 416 126 43 VAL HB H 1.773 0.000 . 417 126 43 VAL HG1 H 0.812 0.000 . 418 126 43 VAL HG2 H 0.768 0.000 . 419 126 43 VAL CA C 60.531 0.000 . 420 126 43 VAL CB C 35.693 0.000 . 421 126 43 VAL CG1 C 22.108 0.000 . 422 126 43 VAL CG2 C 22.002 0.000 . 423 126 43 VAL N N 123.893 0.000 . 424 127 44 VAL H H 8.917 0.000 . 425 127 44 VAL HA H 4.454 0.000 . 426 127 44 VAL HB H 2.013 0.000 . 427 127 44 VAL HG1 H 1.095 0.000 . 428 127 44 VAL HG2 H 1.039 0.000 . 429 127 44 VAL CA C 61.115 0.000 . 430 127 44 VAL CB C 35.840 0.000 . 431 127 44 VAL CG1 C 22.157 0.000 . 432 127 44 VAL CG2 C 21.254 0.000 . 433 127 44 VAL N N 123.239 0.000 . 434 128 45 VAL H H 8.841 0.000 . 435 128 45 VAL HA H 4.261 0.000 . 436 128 45 VAL HB H 2.022 0.000 . 437 128 45 VAL HG1 H 0.835 0.000 . 438 128 45 VAL HG2 H 0.763 0.000 . 439 128 45 VAL CA C 61.668 0.000 . 440 128 45 VAL CB C 33.172 0.000 . 441 128 45 VAL CG1 C 21.683 0.000 . 442 128 45 VAL CG2 C 21.743 0.000 . 443 128 45 VAL N N 125.271 0.000 . 444 129 46 MET H H 8.705 0.000 . 445 129 46 MET HB2 H 2.688 0.000 . 446 129 46 MET HB3 H 2.339 0.000 . 447 129 46 MET HE H 2.076 0.000 . 448 129 46 MET CB C 32.578 0.010 . 449 129 46 MET CE C 18.062 0.000 . 450 129 46 MET N N 125.802 0.000 . 451 130 47 PRO HA H 4.316 0.000 . 452 130 47 PRO HB2 H 2.545 0.000 . 453 130 47 PRO HB3 H 2.085 0.000 . 454 130 47 PRO HD2 H 3.965 0.000 . 455 130 47 PRO HD3 H 3.796 0.000 . 456 130 47 PRO CA C 65.571 0.000 . 457 130 47 PRO CB C 32.551 0.027 . 458 130 47 PRO CD C 51.328 0.008 . 459 131 48 LYS HA H 4.202 0.000 . 460 131 48 LYS CA C 58.686 0.000 . 461 132 49 LYS H H 7.347 0.000 . 462 132 49 LYS HA H 4.503 0.000 . 463 132 49 LYS HG2 H 1.584 0.000 . 464 132 49 LYS HG3 H 1.501 0.000 . 465 132 49 LYS CA C 54.749 0.000 . 466 132 49 LYS CG C 25.684 0.006 . 467 132 49 LYS N N 114.460 0.000 . 468 133 50 ARG H H 8.089 0.000 . 469 133 50 ARG HA H 3.941 0.000 . 470 133 50 ARG HB2 H 1.591 0.000 . 471 133 50 ARG HB3 H 1.522 0.000 . 472 133 50 ARG HG2 H 2.361 0.000 . 473 133 50 ARG HG3 H 2.107 0.000 . 474 133 50 ARG HD2 H 3.299 0.000 . 475 133 50 ARG HD3 H 3.201 0.000 . 476 133 50 ARG HE H 7.419 0.000 . 477 133 50 ARG CA C 57.509 0.000 . 478 133 50 ARG CB C 27.806 0.003 . 479 133 50 ARG CG C 26.484 0.013 . 480 133 50 ARG CD C 43.549 0.004 . 481 133 50 ARG N N 116.946 0.000 . 482 133 50 ARG NE N 86.396 0.000 . 483 134 51 GLN H H 7.355 0.000 . 484 134 51 GLN HA H 5.410 0.000 . 485 134 51 GLN HB2 H 2.435 0.000 . 486 134 51 GLN HB3 H 1.828 0.000 . 487 134 51 GLN HG2 H 2.827 0.000 . 488 134 51 GLN HG3 H 2.613 0.000 . 489 134 51 GLN HE21 H 7.593 0.000 . 490 134 51 GLN HE22 H 6.903 0.000 . 491 134 51 GLN CA C 53.558 0.000 . 492 134 51 GLN CB C 35.763 0.057 . 493 134 51 GLN CG C 34.145 0.006 . 494 134 51 GLN N N 113.755 0.000 . 495 134 51 GLN NE2 N 112.907 0.000 . 496 135 52 ALA H H 8.985 0.000 . 497 135 52 ALA HA H 5.095 0.000 . 498 135 52 ALA HB H 1.301 0.000 . 499 135 52 ALA CA C 51.360 0.000 . 500 135 52 ALA CB C 24.882 0.000 . 501 135 52 ALA N N 119.434 0.000 . 502 136 53 LEU H H 9.024 0.000 . 503 136 53 LEU HA H 5.473 0.000 . 504 136 53 LEU HB2 H 1.621 0.000 . 505 136 53 LEU HB3 H 1.203 0.000 . 506 136 53 LEU HD1 H 0.857 0.000 . 507 136 53 LEU HD2 H 1.095 0.000 . 508 136 53 LEU CA C 53.880 0.000 . 509 136 53 LEU CB C 46.228 0.010 . 510 136 53 LEU CD1 C 26.341 0.000 . 511 136 53 LEU CD2 C 22.157 0.000 . 512 136 53 LEU N N 119.835 0.000 . 513 137 54 VAL H H 8.870 0.000 . 514 137 54 VAL HA H 4.418 0.000 . 515 137 54 VAL HB H 1.800 0.000 . 516 137 54 VAL HG1 H 0.768 0.000 . 517 137 54 VAL HG2 H 0.348 0.000 . 518 137 54 VAL CA C 61.158 0.000 . 519 137 54 VAL CB C 34.897 0.000 . 520 137 54 VAL CG1 C 21.908 0.000 . 521 137 54 VAL CG2 C 21.102 0.000 . 522 137 54 VAL N N 121.279 0.000 . 523 138 55 GLU H H 9.263 0.000 . 524 138 55 GLU HA H 5.008 0.000 . 525 138 55 GLU HB2 H 2.167 0.000 . 526 138 55 GLU HB3 H 2.006 0.000 . 527 138 55 GLU HG2 H 2.186 0.000 . 528 138 55 GLU HG3 H 2.046 0.000 . 529 138 55 GLU CA C 54.460 0.000 . 530 138 55 GLU CB C 32.984 0.000 . 531 138 55 GLU CG C 36.765 0.000 . 532 138 55 GLU N N 129.089 0.000 . 533 139 56 PHE H H 9.440 0.000 . 534 139 56 PHE HA H 4.613 0.000 . 535 139 56 PHE HB2 H 3.933 0.000 . 536 139 56 PHE HB3 H 3.206 0.000 . 537 139 56 PHE HD1 H 7.336 0.000 . 538 139 56 PHE HD2 H 7.336 0.000 . 539 139 56 PHE HE1 H 7.246 0.000 . 540 139 56 PHE HE2 H 7.246 0.000 . 541 139 56 PHE HZ H 7.390 0.000 . 542 139 56 PHE CA C 60.037 0.000 . 543 139 56 PHE CB C 39.579 0.036 . 544 139 56 PHE CD1 C 131.938 0.000 . 545 139 56 PHE CE1 C 131.094 0.000 . 546 139 56 PHE CZ C 131.232 0.000 . 547 139 56 PHE N N 129.049 0.000 . 548 140 57 GLU H H 8.695 0.000 . 549 140 57 GLU HA H 4.042 0.000 . 550 140 57 GLU HB2 H 2.127 0.000 . 551 140 57 GLU HB3 H 1.947 0.000 . 552 140 57 GLU HG2 H 2.267 0.000 . 553 140 57 GLU HG3 H 2.228 0.000 . 554 140 57 GLU CA C 59.264 0.000 . 555 140 57 GLU CB C 30.871 0.006 . 556 140 57 GLU CG C 37.157 0.008 . 557 140 57 GLU N N 119.820 0.000 . 558 141 58 ASP H H 8.577 0.000 . 559 141 58 ASP HA H 4.955 0.000 . 560 141 58 ASP HB2 H 2.879 0.000 . 561 141 58 ASP HB3 H 2.804 0.000 . 562 141 58 ASP CA C 52.439 0.000 . 563 141 58 ASP CB C 45.696 0.004 . 564 141 58 ASP N N 115.192 0.000 . 565 142 59 VAL H H 8.570 0.000 . 566 142 59 VAL HA H 3.805 0.000 . 567 142 59 VAL HB H 2.123 0.000 . 568 142 59 VAL HG1 H 0.925 0.000 . 569 142 59 VAL HG2 H 0.976 0.000 . 570 142 59 VAL CA C 64.988 0.000 . 571 142 59 VAL CB C 32.146 0.000 . 572 142 59 VAL CG1 C 21.999 0.000 . 573 142 59 VAL CG2 C 20.244 0.000 . 574 142 59 VAL N N 122.159 0.000 . 575 143 60 LEU H H 8.495 0.000 . 576 143 60 LEU HA H 4.016 0.000 . 577 143 60 LEU HB2 H 1.776 0.000 . 578 143 60 LEU HB3 H 1.672 0.000 . 579 143 60 LEU HG H 1.772 0.000 . 580 143 60 LEU HD1 H 1.011 0.000 . 581 143 60 LEU HD2 H 0.968 0.000 . 582 143 60 LEU CA C 58.403 0.000 . 583 143 60 LEU CB C 41.287 0.007 . 584 143 60 LEU CG C 27.255 0.000 . 585 143 60 LEU CD1 C 24.457 0.000 . 586 143 60 LEU CD2 C 24.121 0.000 . 587 143 60 LEU N N 121.632 0.000 . 588 144 61 GLY H H 7.701 0.000 . 589 144 61 GLY HA2 H 3.756 0.000 . 590 144 61 GLY HA3 H 3.497 0.000 . 591 144 61 GLY CA C 47.195 0.004 . 592 144 61 GLY N N 105.889 0.000 . 593 145 62 ALA H H 6.226 0.000 . 594 145 62 ALA HA H 3.330 0.000 . 595 145 62 ALA HB H 1.823 0.000 . 596 145 62 ALA CA C 54.949 0.000 . 597 145 62 ALA CB C 20.889 0.000 . 598 145 62 ALA N N 122.148 0.000 . 599 146 63 CYS H H 8.716 0.000 . 600 146 63 CYS HA H 4.660 0.000 . 601 146 63 CYS HB2 H 3.002 0.000 . 602 146 63 CYS HB3 H 2.943 0.000 . 603 146 63 CYS CA C 61.174 0.000 . 604 146 63 CYS CB C 26.955 0.002 . 605 146 63 CYS N N 116.215 0.000 . 606 147 64 ASN H H 8.351 0.000 . 607 147 64 ASN HA H 4.466 0.000 . 608 147 64 ASN HB2 H 3.377 0.000 . 609 147 64 ASN HB3 H 3.031 0.000 . 610 147 64 ASN HD21 H 7.869 0.000 . 611 147 64 ASN HD22 H 6.793 0.000 . 612 147 64 ASN CA C 55.710 0.000 . 613 147 64 ASN CB C 37.575 0.021 . 614 147 64 ASN N N 118.561 0.000 . 615 147 64 ASN ND2 N 109.985 0.002 . 616 148 65 ALA H H 7.462 0.000 . 617 148 65 ALA HA H 2.352 0.000 . 618 148 65 ALA HB H 1.006 0.000 . 619 148 65 ALA CA C 54.906 0.000 . 620 148 65 ALA CB C 18.140 0.000 . 621 148 65 ALA N N 123.316 0.000 . 622 149 66 VAL H H 8.345 0.000 . 623 149 66 VAL HA H 3.157 0.000 . 624 149 66 VAL HB H 1.753 0.000 . 625 149 66 VAL HG1 H 0.155 0.000 . 626 149 66 VAL HG2 H 0.609 0.000 . 627 149 66 VAL CA C 67.158 0.000 . 628 149 66 VAL CB C 31.433 0.000 . 629 149 66 VAL CG1 C 23.592 0.000 . 630 149 66 VAL CG2 C 20.997 0.000 . 631 149 66 VAL N N 117.650 0.000 . 632 150 67 ASN H H 8.855 0.000 . 633 150 67 ASN HA H 4.518 0.000 . 634 150 67 ASN HB2 H 2.744 0.000 . 635 150 67 ASN HB3 H 2.645 0.000 . 636 150 67 ASN CA C 56.019 0.000 . 637 150 67 ASN CB C 41.264 0.027 . 638 150 67 ASN N N 117.987 0.000 . 639 151 68 TYR H H 8.000 0.000 . 640 151 68 TYR HA H 4.195 0.000 . 641 151 68 TYR HB2 H 3.263 0.000 . 642 151 68 TYR HB3 H 2.928 0.000 . 643 151 68 TYR HD1 H 7.074 0.000 . 644 151 68 TYR HD2 H 7.074 0.000 . 645 151 68 TYR HE1 H 6.807 0.000 . 646 151 68 TYR HE2 H 6.807 0.000 . 647 151 68 TYR CA C 62.179 0.000 . 648 151 68 TYR CB C 39.295 0.053 . 649 151 68 TYR CD2 C 133.974 0.000 . 650 151 68 TYR CE2 C 118.648 0.000 . 651 151 68 TYR N N 122.624 0.000 . 652 152 69 ALA H H 8.070 0.000 . 653 152 69 ALA HA H 4.540 0.000 . 654 152 69 ALA HB H 1.559 0.000 . 655 152 69 ALA CA C 52.702 0.000 . 656 152 69 ALA CB C 18.676 0.000 . 657 152 69 ALA N N 120.330 0.000 . 658 153 70 ALA H H 7.500 0.000 . 659 153 70 ALA HA H 4.138 0.000 . 660 153 70 ALA HB H 1.484 0.000 . 661 153 70 ALA CA C 55.003 0.000 . 662 153 70 ALA CB C 18.465 0.000 . 663 153 70 ALA N N 120.188 0.000 . 664 154 71 ASP H H 7.129 0.000 . 665 154 71 ASP HA H 4.919 0.000 . 666 154 71 ASP CA C 54.040 0.000 . 667 154 71 ASP N N 113.070 0.000 . 668 155 72 ASN H H 7.713 0.000 . 669 155 72 ASN HA H 4.778 0.000 . 670 155 72 ASN HB2 H 2.141 0.000 . 671 155 72 ASN HB3 H 1.679 0.000 . 672 155 72 ASN CA C 52.150 0.000 . 673 155 72 ASN CB C 42.477 0.002 . 674 155 72 ASN N N 117.983 0.000 . 675 156 73 GLN H H 8.176 0.000 . 676 156 73 GLN HA H 4.409 0.000 . 677 156 73 GLN HB2 H 1.952 0.000 . 678 156 73 GLN HB3 H 1.708 0.000 . 679 156 73 GLN HG2 H 2.061 0.000 . 680 156 73 GLN HG3 H 1.860 0.000 . 681 156 73 GLN HE21 H 7.548 0.000 . 682 156 73 GLN HE22 H 6.360 0.000 . 683 156 73 GLN CA C 55.410 0.000 . 684 156 73 GLN CB C 30.636 0.005 . 685 156 73 GLN CG C 34.251 0.004 . 686 156 73 GLN N N 117.303 0.000 . 687 156 73 GLN NE2 N 114.958 0.001 . 688 157 74 ILE H H 8.918 0.000 . 689 157 74 ILE HA H 4.413 0.000 . 690 157 74 ILE HB H 1.771 0.000 . 691 157 74 ILE HG12 H 1.797 0.000 . 692 157 74 ILE HG13 H 1.368 0.000 . 693 157 74 ILE HG2 H 0.872 0.000 . 694 157 74 ILE HD1 H 0.685 0.000 . 695 157 74 ILE CA C 61.461 0.000 . 696 157 74 ILE CB C 39.105 0.000 . 697 157 74 ILE CG1 C 28.918 0.014 . 698 157 74 ILE CG2 C 16.633 0.000 . 699 157 74 ILE CD1 C 13.432 0.000 . 700 157 74 ILE N N 125.455 0.000 . 701 158 75 TYR H H 8.733 0.000 . 702 158 75 TYR HA H 4.683 0.000 . 703 158 75 TYR HB2 H 2.891 0.000 . 704 158 75 TYR HB3 H 2.366 0.000 . 705 158 75 TYR HD1 H 6.737 0.000 . 706 158 75 TYR HD2 H 6.737 0.000 . 707 158 75 TYR HE1 H 6.738 0.000 . 708 158 75 TYR HE2 H 6.738 0.000 . 709 158 75 TYR CA C 57.241 0.000 . 710 158 75 TYR CB C 40.645 0.188 . 711 158 75 TYR CD2 C 132.519 0.000 . 712 158 75 TYR CE2 C 118.172 0.000 . 713 158 75 TYR N N 126.365 0.000 . 714 159 76 ILE H H 8.852 0.000 . 715 159 76 ILE HA H 4.255 0.000 . 716 159 76 ILE HB H 1.789 0.000 . 717 159 76 ILE HG12 H 1.334 0.000 . 718 159 76 ILE HG13 H 1.009 0.000 . 719 159 76 ILE HG2 H 0.738 0.000 . 720 159 76 ILE HD1 H 0.688 0.000 . 721 159 76 ILE CA C 60.130 0.000 . 722 159 76 ILE CB C 38.977 0.000 . 723 159 76 ILE CG1 C 27.261 0.011 . 724 159 76 ILE CG2 C 18.031 0.000 . 725 159 76 ILE CD1 C 13.339 0.000 . 726 159 76 ILE N N 121.220 0.000 . 727 160 77 ALA H H 9.677 0.000 . 728 160 77 ALA HA H 4.108 0.000 . 729 160 77 ALA HB H 1.426 0.000 . 730 160 77 ALA CA C 53.085 0.000 . 731 160 77 ALA CB C 17.504 0.000 . 732 160 77 ALA N N 131.890 0.000 . 733 161 78 GLY H H 8.674 0.000 . 734 161 78 GLY HA2 H 4.193 0.000 . 735 161 78 GLY HA3 H 3.607 0.000 . 736 161 78 GLY CA C 45.469 0.003 . 737 161 78 GLY N N 101.533 0.000 . 738 162 79 HIS H H 7.966 0.000 . 739 162 79 HIS HA H 5.189 0.000 . 740 162 79 HIS HB2 H 3.333 0.000 . 741 162 79 HIS HB3 H 2.979 0.000 . 742 162 79 HIS HD2 H 7.376 0.000 . 743 162 79 HIS HE1 H 8.145 0.000 . 744 162 79 HIS CA C 53.969 0.000 . 745 162 79 HIS CB C 32.597 0.003 . 746 162 79 HIS CD2 C 122.063 0.000 . 747 162 79 HIS CE1 C 138.038 0.000 . 748 162 79 HIS N N 120.337 0.000 . 749 163 80 PRO HA H 4.268 0.000 . 750 163 80 PRO HB2 H 1.666 0.000 . 751 163 80 PRO HB3 H 1.666 0.000 . 752 163 80 PRO HG2 H 2.082 0.000 . 753 163 80 PRO HG3 H 1.817 0.000 . 754 163 80 PRO HD2 H 3.759 0.000 . 755 163 80 PRO HD3 H 3.544 0.000 . 756 163 80 PRO CA C 63.310 0.000 . 757 163 80 PRO CB C 32.169 0.000 . 758 163 80 PRO CG C 27.416 0.009 . 759 163 80 PRO CD C 50.843 0.025 . 760 164 81 ALA H H 8.036 0.000 . 761 164 81 ALA HA H 4.592 0.000 . 762 164 81 ALA HB H 1.195 0.000 . 763 164 81 ALA CA C 50.294 0.000 . 764 164 81 ALA CB C 22.720 0.000 . 765 164 81 ALA N N 124.745 0.000 . 766 165 82 PHE H H 8.223 0.000 . 767 165 82 PHE HA H 4.960 0.000 . 768 165 82 PHE HB2 H 3.168 0.000 . 769 165 82 PHE HB3 H 2.681 0.000 . 770 165 82 PHE HD1 H 7.178 0.000 . 771 165 82 PHE HD2 H 7.178 0.000 . 772 165 82 PHE HE1 H 7.366 0.000 . 773 165 82 PHE HE2 H 7.366 0.000 . 774 165 82 PHE HZ H 7.282 0.000 . 775 165 82 PHE CA C 57.221 0.000 . 776 165 82 PHE CB C 40.963 0.001 . 777 165 82 PHE CD1 C 131.896 0.000 . 778 165 82 PHE CE1 C 131.459 0.000 . 779 165 82 PHE CZ C 129.835 0.000 . 780 165 82 PHE N N 118.002 0.000 . 781 166 83 VAL H H 8.614 0.000 . 782 166 83 VAL HA H 4.895 0.000 . 783 166 83 VAL HB H 1.779 0.000 . 784 166 83 VAL HG1 H 0.797 0.000 . 785 166 83 VAL HG2 H 0.681 0.000 . 786 166 83 VAL CA C 60.829 0.000 . 787 166 83 VAL CB C 34.855 0.000 . 788 166 83 VAL CG1 C 21.001 0.000 . 789 166 83 VAL CG2 C 20.972 0.000 . 790 166 83 VAL N N 121.502 0.000 . 791 167 84 ASN H H 8.360 0.000 . 792 167 84 ASN HA H 4.777 0.000 . 793 167 84 ASN HB2 H 2.934 0.000 . 794 167 84 ASN HB3 H 2.750 0.000 . 795 167 84 ASN HD21 H 7.628 0.000 . 796 167 84 ASN HD22 H 6.983 0.000 . 797 167 84 ASN CA C 51.961 0.000 . 798 167 84 ASN CB C 42.575 0.013 . 799 167 84 ASN N N 121.446 0.000 . 800 167 84 ASN ND2 N 112.100 0.000 . 801 168 85 TYR H H 8.506 0.000 . 802 168 85 TYR HA H 4.743 0.000 . 803 168 85 TYR HB2 H 3.297 0.000 . 804 168 85 TYR HB3 H 2.610 0.000 . 805 168 85 TYR HD1 H 7.299 0.000 . 806 168 85 TYR HD2 H 7.299 0.000 . 807 168 85 TYR HE1 H 6.744 0.000 . 808 168 85 TYR HE2 H 6.744 0.000 . 809 168 85 TYR CA C 60.088 0.000 . 810 168 85 TYR CB C 39.235 0.015 . 811 168 85 TYR CD2 C 133.422 0.000 . 812 168 85 TYR CE2 C 118.939 0.000 . 813 168 85 TYR N N 120.459 0.000 . 814 169 86 SER H H 8.918 0.000 . 815 169 86 SER HA H 4.791 0.000 . 816 169 86 SER HB2 H 3.789 0.000 . 817 169 86 SER HB3 H 3.667 0.000 . 818 169 86 SER CA C 56.439 0.000 . 819 169 86 SER CB C 64.082 0.012 . 820 169 86 SER N N 115.466 0.000 . 821 170 87 THR HA H 4.173 0.000 . 822 170 87 THR HB H 4.364 0.000 . 823 170 87 THR HG2 H 1.393 0.000 . 824 170 87 THR CA C 63.884 0.000 . 825 170 87 THR CB C 69.038 0.000 . 826 170 87 THR CG2 C 22.206 0.000 . 827 171 88 SER H H 8.663 0.000 . 828 171 88 SER HA H 4.522 0.000 . 829 171 88 SER HB2 H 3.836 0.000 . 830 171 88 SER HB3 H 3.771 0.000 . 831 171 88 SER CA C 58.398 0.000 . 832 171 88 SER CB C 64.162 0.001 . 833 171 88 SER N N 119.092 0.000 . 834 172 89 GLN H H 8.687 0.000 . 835 172 89 GLN HA H 4.447 0.000 . 836 172 89 GLN HB2 H 1.845 0.000 . 837 172 89 GLN HB3 H 1.845 0.000 . 838 172 89 GLN HG2 H 2.482 0.000 . 839 172 89 GLN HG3 H 2.422 0.000 . 840 172 89 GLN HE21 H 7.379 0.000 . 841 172 89 GLN HE22 H 7.049 0.000 . 842 172 89 GLN CA C 55.788 0.000 . 843 172 89 GLN CB C 29.287 0.000 . 844 172 89 GLN CG C 33.987 0.004 . 845 172 89 GLN N N 121.211 0.000 . 846 172 89 GLN NE2 N 113.043 0.000 . 847 173 90 LYS H H 7.513 0.000 . 848 173 90 LYS HA H 4.131 0.000 . 849 173 90 LYS HB2 H 1.698 0.000 . 850 173 90 LYS HB3 H 1.632 0.000 . 851 173 90 LYS HG2 H 1.379 0.000 . 852 173 90 LYS HG3 H 1.307 0.000 . 853 173 90 LYS HD2 H 1.660 0.000 . 854 173 90 LYS HD3 H 1.660 0.000 . 855 173 90 LYS HE2 H 2.971 0.000 . 856 173 90 LYS HE3 H 2.971 0.000 . 857 173 90 LYS CA C 55.751 0.000 . 858 173 90 LYS CB C 35.581 0.002 . 859 173 90 LYS CG C 24.270 0.001 . 860 173 90 LYS CD C 29.090 0.000 . 861 173 90 LYS CE C 42.150 0.000 . 862 173 90 LYS N N 116.453 0.000 . 863 174 91 ILE H H 8.701 0.000 . 864 174 91 ILE HA H 3.834 0.000 . 865 174 91 ILE HB H 1.674 0.000 . 866 174 91 ILE HG2 H 0.875 0.000 . 867 174 91 ILE HD1 H 0.980 0.000 . 868 174 91 ILE CA C 63.040 0.000 . 869 174 91 ILE CB C 38.760 0.000 . 870 174 91 ILE CG2 C 16.030 0.000 . 871 174 91 ILE CD1 C 13.830 0.000 . 872 174 91 ILE N N 124.969 0.000 . 873 175 92 SER H H 8.692 0.000 . 874 175 92 SER N N 124.113 0.000 . 875 176 93 ARG H H 8.379 0.000 . 876 176 93 ARG HA H 4.702 0.000 . 877 176 93 ARG HB2 H 1.675 0.000 . 878 176 93 ARG HB3 H 1.675 0.000 . 879 176 93 ARG HG2 H 1.384 0.000 . 880 176 93 ARG HG3 H 1.342 0.000 . 881 176 93 ARG CA C 53.538 0.000 . 882 176 93 ARG CB C 30.088 0.000 . 883 176 93 ARG CG C 26.540 0.001 . 884 176 93 ARG N N 125.524 0.000 . 885 177 94 PRO HA H 4.343 0.000 . 886 177 94 PRO HB2 H 2.327 0.000 . 887 177 94 PRO HB3 H 1.981 0.000 . 888 177 94 PRO HG2 H 2.160 0.000 . 889 177 94 PRO HG3 H 2.160 0.000 . 890 177 94 PRO HD2 H 4.225 0.000 . 891 177 94 PRO HD3 H 3.700 0.000 . 892 177 94 PRO CA C 63.660 0.000 . 893 177 94 PRO CB C 32.134 0.006 . 894 177 94 PRO CG C 27.706 0.000 . 895 177 94 PRO CD C 50.852 0.001 . 896 178 95 GLY H H 8.520 0.000 . 897 178 95 GLY HA2 H 3.999 0.000 . 898 178 95 GLY HA3 H 3.999 0.000 . 899 178 95 GLY CA C 45.400 0.000 . 900 178 95 GLY N N 109.773 0.000 . 901 179 96 ASP H H 8.113 0.000 . 902 179 96 ASP HA H 4.664 0.000 . 903 179 96 ASP HB2 H 2.760 0.000 . 904 179 96 ASP HB3 H 2.706 0.000 . 905 179 96 ASP CA C 54.630 0.000 . 906 179 96 ASP CB C 41.275 0.011 . 907 179 96 ASP N N 120.705 0.000 . 908 180 97 SER H H 8.278 0.000 . 909 180 97 SER HA H 4.510 0.000 . 910 180 97 SER HB2 H 3.896 0.000 . 911 180 97 SER HB3 H 3.896 0.000 . 912 180 97 SER CA C 58.400 0.000 . 913 180 97 SER CB C 64.095 0.000 . 914 180 97 SER N N 115.491 0.000 . 915 181 98 ASP H H 8.371 0.000 . 916 181 98 ASP HA H 4.690 0.000 . 917 181 98 ASP HB2 H 2.779 0.000 . 918 181 98 ASP HB3 H 2.721 0.000 . 919 181 98 ASP CA C 54.614 0.000 . 920 181 98 ASP CB C 41.303 0.000 . 921 181 98 ASP N N 122.472 0.000 . 922 182 99 ASP H H 8.323 0.000 . 923 182 99 ASP HA H 4.661 0.000 . 924 182 99 ASP HB2 H 2.760 0.000 . 925 182 99 ASP HB3 H 2.706 0.000 . 926 182 99 ASP CA C 54.668 0.000 . 927 182 99 ASP CB C 41.275 0.011 . 928 182 99 ASP N N 121.277 0.000 . 929 183 100 SER H H 8.321 0.000 . 930 183 100 SER HA H 4.426 0.000 . 931 183 100 SER HB2 H 3.945 0.000 . 932 183 100 SER HB3 H 3.945 0.000 . 933 183 100 SER CA C 59.256 0.000 . 934 183 100 SER CB C 63.865 0.000 . 935 183 100 SER N N 116.407 0.000 . 936 184 101 ARG H H 8.161 0.000 . 937 184 101 ARG HA H 4.420 0.000 . 938 184 101 ARG HB2 H 1.952 0.000 . 939 184 101 ARG HB3 H 1.851 0.000 . 940 184 101 ARG HG2 H 1.702 0.000 . 941 184 101 ARG HG3 H 1.681 0.000 . 942 184 101 ARG HD2 H 3.253 0.000 . 943 184 101 ARG HD3 H 3.253 0.000 . 944 184 101 ARG CA C 56.430 0.000 . 945 184 101 ARG CB C 30.629 0.012 . 946 184 101 ARG CG C 27.201 0.004 . 947 184 101 ARG CD C 43.451 0.000 . 948 184 101 ARG N N 122.019 0.000 . 949 185 102 SER H H 8.243 0.000 . 950 185 102 SER HA H 4.527 0.000 . 951 185 102 SER HB2 H 3.920 0.000 . 952 185 102 SER HB3 H 3.920 0.000 . 953 185 102 SER CA C 58.450 0.000 . 954 185 102 SER CB C 63.868 0.000 . 955 185 102 SER N N 116.571 0.000 . 956 186 103 VAL H H 8.082 0.000 . 957 186 103 VAL HA H 4.230 0.000 . 958 186 103 VAL HB H 2.170 0.000 . 959 186 103 VAL HG1 H 0.987 0.000 . 960 186 103 VAL HG2 H 0.976 0.000 . 961 186 103 VAL CA C 62.440 0.000 . 962 186 103 VAL CB C 32.801 0.000 . 963 186 103 VAL CG1 C 21.216 0.000 . 964 186 103 VAL CG2 C 20.244 0.000 . 965 186 103 VAL N N 120.922 0.000 . 966 187 104 ASN H H 8.431 0.000 . 967 187 104 ASN HA H 4.864 0.000 . 968 187 104 ASN HB2 H 2.910 0.000 . 969 187 104 ASN HB3 H 2.766 0.000 . 970 187 104 ASN CA C 53.390 0.000 . 971 187 104 ASN CB C 39.361 0.005 . 972 187 104 ASN N N 122.174 0.000 . 973 188 105 SER H H 7.880 0.000 . 974 188 105 SER HA H 4.305 0.000 . 975 188 105 SER CA C 60.120 0.000 . 976 188 105 SER N N 121.742 0.000 . stop_ save_