data_19298 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; RBPMS2-Nter ; _BMRB_accession_number 19298 _BMRB_flat_file_name bmr19298.str _Entry_type original _Submission_date 2013-06-12 _Accession_date 2013-06-12 _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 YANG Yinshan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 182 "13C chemical shifts" 256 "15N chemical shifts" 85 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-10-13 original author . stop_ _Original_release_date 2014-10-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Homodimerization of RBPMS2 through a new RRM-interaction motif is necessary to control smooth muscle plasticity' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25064856 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sagnol Sebastien . . 2 Yang Yinshan . . 3 Bessin Yannick . . 4 Allemand Frederic . . 5 Hapkova Ilona . . 6 Notarnicola Cecile . . 7 Guichou Jean-Francois . . 8 Faure Sandrine . . 9 Labesse Gilles . . 10 'de Santa Barbara' Pascal . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_volume 42 _Journal_issue 15 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 10173 _Page_last 10184 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RBPMS2-Nter _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RBPMS2-Nter, 1' $entity 'RBPMS2-Nter, 2' $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 10501.271 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 93 _Mol_residue_sequence ; MEEEVRTLFVSGLPVDIKPR ELYLLFRPFKGYEGSLIKLT ARQPVGFVIFDSRAGAEAAK NALNGIRFDPENPQTLRLEF AKANTKMAKSKLE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 26 MET 2 27 GLU 3 28 GLU 4 29 GLU 5 30 VAL 6 31 ARG 7 32 THR 8 33 LEU 9 34 PHE 10 35 VAL 11 36 SER 12 37 GLY 13 38 LEU 14 39 PRO 15 40 VAL 16 41 ASP 17 42 ILE 18 43 LYS 19 44 PRO 20 45 ARG 21 46 GLU 22 47 LEU 23 48 TYR 24 49 LEU 25 50 LEU 26 51 PHE 27 52 ARG 28 53 PRO 29 54 PHE 30 55 LYS 31 56 GLY 32 57 TYR 33 58 GLU 34 59 GLY 35 60 SER 36 61 LEU 37 62 ILE 38 63 LYS 39 64 LEU 40 65 THR 41 66 ALA 42 67 ARG 43 68 GLN 44 69 PRO 45 70 VAL 46 71 GLY 47 72 PHE 48 73 VAL 49 74 ILE 50 75 PHE 51 76 ASP 52 77 SER 53 78 ARG 54 79 ALA 55 80 GLY 56 81 ALA 57 82 GLU 58 83 ALA 59 84 ALA 60 85 LYS 61 86 ASN 62 87 ALA 63 88 LEU 64 89 ASN 65 90 GLY 66 91 ILE 67 92 ARG 68 93 PHE 69 94 ASP 70 95 PRO 71 96 GLU 72 97 ASN 73 98 PRO 74 99 GLN 75 100 THR 76 101 LEU 77 102 ARG 78 103 LEU 79 104 GLU 80 105 PHE 81 106 ALA 82 107 LYS 83 108 ALA 84 109 ASN 85 110 THR 86 111 LYS 87 112 MET 88 113 ALA 89 114 LYS 90 115 SER 91 116 LYS 92 117 LEU 93 118 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 2M9K Rbpms2-nter 100.00 93 100.00 100.00 1.01e-58 DBJ BAB26834 "unnamed protein product [Mus musculus]" 98.92 168 97.83 100.00 2.91e-57 DBJ BAC87172 "unnamed protein product [Homo sapiens]" 98.92 209 98.91 100.00 4.80e-57 DBJ BAE25995 "unnamed protein product [Mus musculus]" 98.92 206 97.83 100.00 5.40e-57 DBJ BAE33785 "unnamed protein product [Mus musculus]" 98.92 206 97.83 100.00 5.40e-57 DBJ BAI47052 "RNA binding protein with multiple splicing 2 [synthetic construct]" 98.92 209 98.91 100.00 4.80e-57 GB AAH21788 "RNA binding protein with multiple splicing 2 [Mus musculus]" 98.92 206 97.83 100.00 5.40e-57 GB AAI69038 "Rbpms2 protein [Rattus norvegicus]" 98.92 210 97.83 100.00 1.02e-56 GB AAI72373 "RNA binding protein with multiple splicing 2 [synthetic construct]" 98.92 209 98.91 100.00 4.80e-57 GB AAQ73311 "RNA-binding protein with multiple splicing 2 [Homo sapiens]" 98.92 209 98.91 100.00 4.80e-57 GB ABQ82149 "RNA binding protein with multiple splicing 2, partial [Equus caballus]" 90.32 177 97.62 100.00 5.26e-51 REF NP_001166897 "RNA-binding protein with multiple splicing 2 [Rattus norvegicus]" 98.92 210 97.83 100.00 1.02e-56 REF NP_082306 "RNA-binding protein with multiple splicing 2 [Mus musculus]" 98.92 206 97.83 100.00 5.40e-57 REF NP_919248 "RNA-binding protein with multiple splicing 2 [Homo sapiens]" 98.92 209 98.91 100.00 4.80e-57 REF XP_001174270 "PREDICTED: RNA-binding protein with multiple splicing 2 isoform X1 [Pan troglodytes]" 98.92 209 98.91 100.00 5.18e-57 REF XP_002718127 "PREDICTED: RNA-binding protein with multiple splicing 2 [Oryctolagus cuniculus]" 98.92 210 97.83 100.00 6.35e-57 SP Q6ZRY4 "RecName: Full=RNA-binding protein with multiple splicing 2" 98.92 209 98.91 100.00 4.80e-57 SP Q8VC52 "RecName: Full=RNA-binding protein with multiple splicing 2" 98.92 206 97.83 100.00 5.40e-57 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 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . Ecoli stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.4-0.8 mM '[U-100% 15N]' $entity 0.7 mM '[U-100% 13C; U-100% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 0.05 . M pH 6.3 . pH pressure 1 . atm temperature 305 . 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 118.0 external indirect . . . 1.00000000 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.00000000 DSS N 15 'methyl protons' ppm 42.6 external indirect . . . 1.00000000 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_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RBPMS2-Nter, 1' _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 27 2 GLU HA H 4.366 0.01 1 2 27 2 GLU C C 176.23 0.01 1 3 27 2 GLU CA C 56.24 0.01 1 4 27 2 GLU CB C 30.72 0.01 1 5 28 3 GLU H H 8.521 0.01 1 6 28 3 GLU HA H 4.262 0.01 1 7 28 3 GLU C C 175.86 0.01 1 8 28 3 GLU CA C 56.36 0.01 1 9 28 3 GLU CB C 30.51 0.01 1 10 28 3 GLU N N 122.50 0.01 1 11 29 4 GLU H H 8.521 0.01 1 12 29 4 GLU HA H 4.231 0.01 1 13 29 4 GLU C C 176.74 0.01 1 14 29 4 GLU CA C 56.36 0.01 1 15 29 4 GLU CB C 30.84 0.01 1 16 29 4 GLU N N 123.29 0.01 1 17 30 5 VAL H H 8.715 0.01 1 18 30 5 VAL HA H 3.807 0.01 1 19 30 5 VAL C C 175.11 0.01 1 20 30 5 VAL CA C 65.08 0.01 1 21 30 5 VAL CB C 31.33 0.01 1 22 30 5 VAL N N 125.64 0.01 1 23 31 6 ARG H H 9.378 0.01 1 24 31 6 ARG HA H 4.674 0.01 1 25 31 6 ARG C C 172.60 0.01 1 26 31 6 ARG CA C 54.58 0.01 1 27 31 6 ARG CB C 29.75 0.01 1 28 31 6 ARG N N 124.73 0.01 1 29 32 7 THR H H 7.144 0.01 1 30 32 7 THR HA H 5.471 0.01 1 31 32 7 THR C C 173.81 0.01 1 32 32 7 THR CA C 61.25 0.01 1 33 32 7 THR CB C 71.36 0.01 1 34 32 7 THR N N 115.38 0.01 1 35 33 8 LEU H H 9.701 0.01 1 36 33 8 LEU HA H 4.927 0.01 1 37 33 8 LEU C C 174.96 0.01 1 38 33 8 LEU CA C 52.89 0.01 1 39 33 8 LEU CB C 44.91 0.01 1 40 33 8 LEU N N 124.60 0.01 1 41 34 9 PHE H H 9.411 0.01 1 42 34 9 PHE HA H 5.089 0.01 1 43 34 9 PHE C C 174.53 0.01 1 44 34 9 PHE CA C 55.74 0.01 1 45 34 9 PHE CB C 41.41 0.01 1 46 34 9 PHE N N 122.60 0.01 1 47 35 10 VAL H H 8.878 0.01 1 48 35 10 VAL HA H 4.726 0.01 1 49 35 10 VAL C C 173.52 0.01 1 50 35 10 VAL CA C 60.65 0.01 1 51 35 10 VAL CB C 34.17 0.01 1 52 35 10 VAL N N 127.05 0.01 1 53 36 11 SER H H 8.964 0.01 1 54 36 11 SER HA H 4.876 0.01 1 55 36 11 SER C C 173.17 0.01 1 56 36 11 SER CA C 56.70 0.01 1 57 36 11 SER CB C 65.44 0.01 1 58 36 11 SER N N 120.26 0.01 1 59 37 12 GLY H H 8.567 0.01 1 60 37 12 GLY HA2 H 3.544 0.01 2 61 37 12 GLY HA3 H 4.502 0.01 2 62 37 12 GLY C C 174.15 0.01 1 63 37 12 GLY CA C 45.53 0.01 1 64 37 12 GLY N N 108.69 0.01 1 65 38 13 LEU H H 7.426 0.01 1 66 38 13 LEU HA H 3.901 0.01 1 67 38 13 LEU CA C 51.41 0.01 1 68 38 13 LEU N N 118.64 0.01 1 69 39 14 PRO HA H 4.550 0.01 1 70 39 14 PRO C C 177.54 0.01 1 71 39 14 PRO CA C 62.13 0.01 1 72 39 14 PRO CB C 32.21 0.01 1 73 40 15 VAL H H 8.311 0.01 1 74 40 15 VAL HA H 3.684 0.01 1 75 40 15 VAL C C 175.65 0.01 1 76 40 15 VAL CA C 64.46 0.01 1 77 40 15 VAL CB C 31.73 0.01 1 78 40 15 VAL N N 114.99 0.01 1 79 41 16 ASP H H 7.809 0.01 1 80 41 16 ASP HA H 4.684 0.01 1 81 41 16 ASP C C 176.14 0.01 1 82 41 16 ASP CA C 51.80 0.01 1 83 41 16 ASP CB C 39.68 0.01 1 84 41 16 ASP N N 117.41 0.01 1 85 42 17 ILE H H 7.098 0.01 1 86 42 17 ILE HA H 4.084 0.01 1 87 42 17 ILE C C 173.94 0.01 1 88 42 17 ILE CA C 60.77 0.01 1 89 42 17 ILE CB C 38.74 0.01 1 90 42 17 ILE N N 119.18 0.01 1 91 43 18 LYS H H 8.963 0.01 1 92 43 18 LYS HA H 4.993 0.01 1 93 43 18 LYS CA C 53.60 0.01 1 94 43 18 LYS N N 126.52 0.01 1 95 44 19 PRO HA H 4.100 0.01 1 96 44 19 PRO C C 180.11 0.01 1 97 44 19 PRO CA C 66.69 0.01 1 98 44 19 PRO CB C 31.81 0.01 1 99 45 20 ARG H H 8.922 0.01 1 100 45 20 ARG HA H 4.243 0.01 1 101 45 20 ARG C C 176.20 0.01 1 102 45 20 ARG CA C 58.55 0.01 1 103 45 20 ARG CB C 30.42 0.01 1 104 45 20 ARG N N 115.44 0.01 1 105 46 21 GLU H H 8.340 0.01 1 106 46 21 GLU HA H 4.038 0.01 1 107 46 21 GLU C C 178.82 0.01 1 108 46 21 GLU CA C 60.21 0.01 1 109 46 21 GLU CB C 30.88 0.01 1 110 46 21 GLU N N 119.72 0.01 1 111 47 22 LEU H H 7.196 0.01 1 112 47 22 LEU HA H 4.373 0.01 1 113 47 22 LEU C C 178.38 0.01 1 114 47 22 LEU CA C 57.52 0.01 1 115 47 22 LEU CB C 41.68 0.01 1 116 47 22 LEU N N 115.57 0.01 1 117 48 23 TYR H H 6.816 0.01 1 118 48 23 TYR HA H 4.209 0.01 1 119 48 23 TYR C C 176.38 0.01 1 120 48 23 TYR CA C 60.63 0.01 1 121 48 23 TYR CB C 36.63 0.01 1 122 48 23 TYR N N 119.67 0.01 1 123 49 24 LEU H H 8.129 0.01 1 124 49 24 LEU HA H 3.202 0.01 1 125 49 24 LEU C C 179.03 0.01 1 126 49 24 LEU CA C 57.74 0.01 1 127 49 24 LEU CB C 43.23 0.01 1 128 49 24 LEU N N 118.19 0.01 1 129 50 25 LEU H H 7.543 0.01 1 130 50 25 LEU HA H 3.710 0.01 1 131 50 25 LEU C C 176.42 0.01 1 132 50 25 LEU CA C 57.29 0.01 1 133 50 25 LEU CB C 42.64 0.01 1 134 50 25 LEU N N 117.13 0.01 1 135 51 26 PHE H H 7.439 0.01 1 136 51 26 PHE HA H 4.660 0.01 1 137 51 26 PHE C C 175.11 0.01 1 138 51 26 PHE CA C 59.64 0.01 1 139 51 26 PHE CB C 40.25 0.01 1 140 51 26 PHE N N 110.42 0.01 1 141 52 27 ARG H H 7.865 0.01 1 142 52 27 ARG HA H 3.743 0.01 1 143 52 27 ARG CA C 59.92 0.01 1 144 52 27 ARG N N 120.68 0.01 1 145 53 28 PRO HA H 4.202 0.01 1 146 53 28 PRO C C 176.60 0.01 1 147 53 28 PRO CA C 64.54 0.01 1 148 53 28 PRO CB C 30.96 0.01 1 149 54 29 PHE H H 7.943 0.01 1 150 54 29 PHE HA H 4.256 0.01 1 151 54 29 PHE C C 175.50 0.01 1 152 54 29 PHE CA C 59.20 0.01 1 153 54 29 PHE CB C 38.68 0.01 1 154 54 29 PHE N N 117.47 0.01 1 155 55 30 LYS H H 8.571 0.01 1 156 55 30 LYS HA H 4.153 0.01 1 157 55 30 LYS C C 177.90 0.01 1 158 55 30 LYS CA C 58.04 0.01 1 159 55 30 LYS CB C 32.53 0.01 1 160 55 30 LYS N N 126.46 0.01 1 161 56 31 GLY H H 9.045 0.01 1 162 56 31 GLY HA2 H 3.883 0.01 2 163 56 31 GLY HA3 H 4.661 0.01 2 164 56 31 GLY C C 174.83 0.01 1 165 56 31 GLY CA C 45.15 0.01 1 166 56 31 GLY N N 112.78 0.01 1 167 57 32 TYR H H 7.560 0.01 1 168 57 32 TYR HA H 3.076 0.01 1 169 57 32 TYR C C 175.26 0.01 1 170 57 32 TYR CA C 59.65 0.01 1 171 57 32 TYR CB C 38.19 0.01 1 172 57 32 TYR N N 121.70 0.01 1 173 58 33 GLU H H 8.356 0.01 1 174 58 33 GLU HA H 4.268 0.01 1 175 58 33 GLU C C 175.70 0.01 1 176 58 33 GLU CA C 56.34 0.01 1 177 58 33 GLU CB C 31.73 0.01 1 178 58 33 GLU N N 128.50 0.01 1 179 59 34 GLY H H 6.411 0.01 1 180 59 34 GLY HA2 H 3.645 0.01 2 181 59 34 GLY HA3 H 4.007 0.01 2 182 59 34 GLY C C 170.31 0.01 1 183 59 34 GLY CA C 45.53 0.01 1 184 59 34 GLY N N 104.92 0.01 1 185 60 35 SER H H 8.280 0.01 1 186 60 35 SER HA H 5.468 0.01 1 187 60 35 SER C C 172.47 0.01 1 188 60 35 SER CA C 57.17 0.01 1 189 60 35 SER CB C 66.61 0.01 1 190 60 35 SER N N 110.02 0.01 1 191 61 36 LEU H H 8.953 0.01 1 192 61 36 LEU HA H 4.743 0.01 1 193 61 36 LEU C C 174.60 0.01 1 194 61 36 LEU CA C 54.68 0.01 1 195 61 36 LEU CB C 45.38 0.01 1 196 61 36 LEU N N 118.49 0.01 1 197 62 37 ILE H H 8.639 0.01 1 198 62 37 ILE HA H 4.917 0.01 1 199 62 37 ILE C C 175.60 0.01 1 200 62 37 ILE CA C 59.49 0.01 1 201 62 37 ILE CB C 39.92 0.01 1 202 62 37 ILE N N 120.76 0.01 1 203 63 38 LYS H H 9.145 0.01 1 204 63 38 LYS HA H 4.702 0.01 1 205 63 38 LYS C C 174.70 0.01 1 206 63 38 LYS CA C 54.55 0.01 1 207 63 38 LYS CB C 35.49 0.01 1 208 63 38 LYS N N 127.24 0.01 1 209 64 39 LEU H H 8.648 0.01 1 210 64 39 LEU HA H 4.702 0.01 1 211 64 39 LEU C C 177.47 0.01 1 212 64 39 LEU CA C 54.59 0.01 1 213 64 39 LEU CB C 42.42 0.01 1 214 64 39 LEU N N 124.70 0.01 1 215 65 40 THR H H 8.330 0.01 1 216 65 40 THR HA H 4.521 0.01 1 217 65 40 THR C C 174.16 0.01 1 218 65 40 THR CA C 60.99 0.01 1 219 65 40 THR CB C 70.63 0.01 1 220 65 40 THR N N 116.86 0.01 1 221 66 41 ALA H H 8.834 0.01 1 222 66 41 ALA HA H 4.170 0.01 1 223 66 41 ALA C C 177.06 0.01 1 224 66 41 ALA CA C 53.59 0.01 1 225 66 41 ALA CB C 18.06 0.01 1 226 66 41 ALA N N 127.31 0.01 1 227 67 42 ARG H H 8.335 0.01 1 228 67 42 ARG HA H 4.064 0.01 1 229 67 42 ARG C C 175.40 0.01 1 230 67 42 ARG CA C 57.31 0.01 1 231 67 42 ARG CB C 29.77 0.01 1 232 67 42 ARG N N 113.66 0.01 1 233 68 43 GLN H H 7.832 0.01 1 234 68 43 GLN HA H 4.815 0.01 1 235 68 43 GLN CA C 53.28 0.01 1 236 68 43 GLN N N 118.79 0.01 1 237 69 44 PRO HA H 4.846 0.01 1 238 69 44 PRO C C 175.48 0.01 1 239 69 44 PRO CA C 62.90 0.01 1 240 69 44 PRO CB C 32.45 0.01 1 241 70 45 VAL H H 8.722 0.01 1 242 70 45 VAL HA H 4.542 0.01 1 243 70 45 VAL C C 174.47 0.01 1 244 70 45 VAL CA C 60.04 0.01 1 245 70 45 VAL CB C 34.92 0.01 1 246 70 45 VAL N N 117.70 0.01 1 247 71 46 GLY H H 8.716 0.01 1 248 71 46 GLY HA2 H 2.992 0.01 2 249 71 46 GLY HA3 H 5.241 0.01 2 250 71 46 GLY C C 171.00 0.01 1 251 71 46 GLY CA C 43.99 0.01 1 252 71 46 GLY N N 107.93 0.01 1 253 72 47 PHE H H 8.934 0.01 1 254 72 47 PHE HA H 5.635 0.01 1 255 72 47 PHE C C 175.35 0.01 1 256 72 47 PHE CA C 56.83 0.01 1 257 72 47 PHE CB C 42.11 0.01 1 258 72 47 PHE N N 119.40 0.01 1 259 73 48 VAL H H 8.934 0.01 1 260 73 48 VAL HA H 4.563 0.01 1 261 73 48 VAL C C 172.93 0.01 1 262 73 48 VAL CA C 60.76 0.01 1 263 73 48 VAL CB C 34.57 0.01 1 264 73 48 VAL N N 122.00 0.01 1 265 74 49 ILE H H 8.702 0.01 1 266 74 49 ILE HA H 4.867 0.01 1 267 74 49 ILE C C 173.70 0.01 1 268 74 49 ILE CA C 60.88 0.01 1 269 74 49 ILE CB C 33.40 0.01 1 270 74 49 ILE N N 128.00 0.01 1 271 75 50 PHE H H 8.200 0.01 1 272 75 50 PHE HA H 5.147 0.01 1 273 75 50 PHE C C 175.88 0.01 1 274 75 50 PHE CA C 56.22 0.01 1 275 75 50 PHE CB C 44.68 0.01 1 276 75 50 PHE N N 125.20 0.01 1 277 76 51 ASP H H 9.400 0.01 1 278 76 51 ASP HA H 4.277 0.01 1 279 76 51 ASP C C 176.02 0.01 1 280 76 51 ASP CA C 55.58 0.01 1 281 76 51 ASP CB C 40.52 0.01 1 282 76 51 ASP N N 119.15 0.01 1 283 77 52 SER H H 7.804 0.01 1 284 77 52 SER HA H 4.683 0.01 1 285 77 52 SER C C 173.67 0.01 1 286 77 52 SER CA C 56.62 0.01 1 287 77 52 SER CB C 66.47 0.01 1 288 77 52 SER N N 111.28 0.01 1 289 78 53 ARG H H 9.348 0.01 1 290 78 53 ARG HA H 4.030 0.01 1 291 78 53 ARG C C 177.71 0.01 1 292 78 53 ARG CA C 59.87 0.01 1 293 78 53 ARG CB C 29.80 0.01 1 294 78 53 ARG N N 125.24 0.01 1 295 79 54 ALA H H 8.660 0.01 1 296 79 54 ALA HA H 4.200 0.01 1 297 79 54 ALA C C 181.36 0.01 1 298 79 54 ALA CA C 55.28 0.01 1 299 79 54 ALA CB C 18.15 0.01 1 300 79 54 ALA N N 120.70 0.01 1 301 80 55 GLY H H 8.161 0.01 1 302 80 55 GLY HA2 H 3.925 0.01 2 303 80 55 GLY HA3 H 3.925 0.01 2 304 80 55 GLY C C 175.71 0.01 1 305 80 55 GLY CA C 46.79 0.01 1 306 80 55 GLY N N 107.50 0.01 1 307 81 56 ALA H H 7.298 0.01 1 308 81 56 ALA HA H 2.576 0.01 1 309 81 56 ALA C C 178.57 0.01 1 310 81 56 ALA CA C 54.22 0.01 1 311 81 56 ALA CB C 18.18 0.01 1 312 81 56 ALA N N 124.65 0.01 1 313 82 57 GLU H H 8.930 0.01 1 314 82 57 GLU HA H 3.731 0.01 1 315 82 57 GLU C C 177.80 0.01 1 316 82 57 GLU CA C 59.56 0.01 1 317 82 57 GLU CB C 29.86 0.01 1 318 82 57 GLU N N 118.89 0.01 1 319 83 58 ALA H H 7.572 0.01 1 320 83 58 ALA HA H 4.117 0.01 1 321 83 58 ALA C C 180.81 0.01 1 322 83 58 ALA CA C 54.89 0.01 1 323 83 58 ALA CB C 18.15 0.01 1 324 83 58 ALA N N 119.41 0.01 1 325 84 59 ALA H H 6.950 0.01 1 326 84 59 ALA HA H 3.140 0.01 1 327 84 59 ALA C C 178.01 0.01 1 328 84 59 ALA CA C 54.73 0.01 1 329 84 59 ALA CB C 18.71 0.01 1 330 84 59 ALA N N 120.28 0.01 1 331 85 60 LYS H H 8.042 0.01 1 332 85 60 LYS HA H 3.588 0.01 1 333 85 60 LYS C C 177.70 0.01 1 334 85 60 LYS CA C 59.56 0.01 1 335 85 60 LYS CB C 32.09 0.01 1 336 85 60 LYS N N 118.04 0.01 1 337 86 61 ASN H H 8.087 0.01 1 338 86 61 ASN HA H 4.473 0.01 1 339 86 61 ASN C C 177.32 0.01 1 340 86 61 ASN CA C 55.07 0.01 1 341 86 61 ASN CB C 37.99 0.01 1 342 86 61 ASN N N 114.63 0.01 1 343 87 62 ALA H H 7.557 0.01 1 344 87 62 ALA HA H 4.307 0.01 1 345 87 62 ALA C C 179.63 0.01 1 346 87 62 ALA CA C 54.30 0.01 1 347 87 62 ALA CB C 20.18 0.01 1 348 87 62 ALA N N 120.20 0.01 1 349 88 63 LEU H H 7.561 0.01 1 350 88 63 LEU HA H 4.413 0.01 1 351 88 63 LEU C C 176.58 0.01 1 352 88 63 LEU CA C 54.41 0.01 1 353 88 63 LEU CB C 44.33 0.01 1 354 88 63 LEU N N 114.21 0.01 1 355 89 64 ASN H H 7.550 0.01 1 356 89 64 ASN HA H 4.256 0.01 1 357 89 64 ASN C C 177.70 0.01 1 358 89 64 ASN CA C 55.99 0.01 1 359 89 64 ASN CB C 38.57 0.01 1 360 89 64 ASN N N 117.97 0.01 1 361 90 65 GLY H H 8.734 0.01 1 362 90 65 GLY HA2 H 3.741 0.01 2 363 90 65 GLY HA3 H 4.318 0.01 2 364 90 65 GLY C C 174.36 0.01 1 365 90 65 GLY CA C 45.76 0.01 1 366 90 65 GLY N N 112.22 0.01 1 367 91 66 ILE H H 7.518 0.01 1 368 91 66 ILE HA H 4.476 0.01 1 369 91 66 ILE C C 175.94 0.01 1 370 91 66 ILE CA C 60.52 0.01 1 371 91 66 ILE CB C 39.02 0.01 1 372 91 66 ILE N N 115.84 0.01 1 373 92 67 ARG H H 8.461 0.01 1 374 92 67 ARG HA H 4.477 0.01 1 375 92 67 ARG C C 175.84 0.01 1 376 92 67 ARG CA C 56.66 0.01 1 377 92 67 ARG CB C 30.55 0.01 1 378 92 67 ARG N N 120.16 0.01 1 379 93 68 PHE H H 8.443 0.01 1 380 93 68 PHE HA H 4.057 0.01 1 381 93 68 PHE C C 171.62 0.01 1 382 93 68 PHE CA C 61.01 0.01 1 383 93 68 PHE CB C 40.48 0.01 1 384 93 68 PHE N N 126.78 0.01 1 385 94 69 ASP H H 7.860 0.01 1 386 94 69 ASP HA H 4.869 0.01 1 387 94 69 ASP CA C 48.53 0.01 1 388 94 69 ASP N N 110.65 0.01 1 389 95 70 PRO HA H 3.847 0.01 1 390 95 70 PRO C C 177.65 0.01 1 391 95 70 PRO CA C 63.29 0.01 1 392 95 70 PRO CB C 32.09 0.01 1 393 96 71 GLU H H 7.944 0.01 1 394 96 71 GLU HA H 4.225 0.01 1 395 96 71 GLU C C 175.31 0.01 1 396 96 71 GLU CA C 56.17 0.01 1 397 96 71 GLU CB C 30.00 0.01 1 398 96 71 GLU N N 115.27 0.01 1 399 97 72 ASN H H 8.190 0.01 1 400 97 72 ASN HA H 5.202 0.01 1 401 97 72 ASN CA C 49.86 0.01 1 402 97 72 ASN N N 121.61 0.01 1 403 98 73 PRO HA H 4.169 0.01 1 404 98 73 PRO C C 176.94 0.01 1 405 98 73 PRO CA C 63.29 0.01 1 406 98 73 PRO CB C 32.21 0.01 1 407 99 74 GLN H H 8.174 0.01 1 408 99 74 GLN HA H 4.183 0.01 1 409 99 74 GLN C C 176.66 0.01 1 410 99 74 GLN CA C 57.08 0.01 1 411 99 74 GLN CB C 28.99 0.01 1 412 99 74 GLN N N 120.23 0.01 1 413 100 75 THR H H 8.241 0.01 1 414 100 75 THR HA H 4.784 0.01 1 415 100 75 THR C C 174.54 0.01 1 416 100 75 THR CA C 59.87 0.01 1 417 100 75 THR CB C 71.92 0.01 1 418 100 75 THR N N 117.08 0.01 1 419 101 76 LEU H H 8.809 0.01 1 420 101 76 LEU HA H 4.639 0.01 1 421 101 76 LEU C C 177.93 0.01 1 422 101 76 LEU CA C 54.66 0.01 1 423 101 76 LEU CB C 44.48 0.01 1 424 101 76 LEU N N 120.72 0.01 1 425 102 77 ARG H H 8.327 0.01 1 426 102 77 ARG HA H 4.971 0.01 1 427 102 77 ARG C C 174.50 0.01 1 428 102 77 ARG CA C 54.71 0.01 1 429 102 77 ARG CB C 32.00 0.01 1 430 102 77 ARG N N 124.04 0.01 1 431 103 78 LEU H H 8.825 0.01 1 432 103 78 LEU HA H 5.370 0.01 1 433 103 78 LEU C C 174.66 0.01 1 434 103 78 LEU CA C 54.66 0.01 1 435 103 78 LEU CB C 44.78 0.01 1 436 103 78 LEU N N 125.78 0.01 1 437 104 79 GLU H H 8.348 0.01 1 438 104 79 GLU HA H 4.509 0.01 1 439 104 79 GLU C C 175.11 0.01 1 440 104 79 GLU CA C 53.44 0.01 1 441 104 79 GLU CB C 34.02 0.01 1 442 104 79 GLU N N 119.10 0.01 1 443 105 80 PHE H H 9.227 0.01 1 444 105 80 PHE HA H 4.611 0.01 1 445 105 80 PHE C C 177.06 0.01 1 446 105 80 PHE CA C 61.19 0.01 1 447 105 80 PHE CB C 39.18 0.01 1 448 105 80 PHE N N 121.07 0.01 1 449 106 81 ALA H H 9.567 0.01 1 450 106 81 ALA HA H 4.425 0.01 1 451 106 81 ALA C C 175.86 0.01 1 452 106 81 ALA CA C 51.28 0.01 1 453 106 81 ALA CB C 19.75 0.01 1 454 106 81 ALA N N 124.89 0.01 1 455 107 82 LYS H H 8.581 0.01 1 456 107 82 LYS HA H 4.172 0.01 1 457 107 82 LYS C C 176.06 0.01 1 458 107 82 LYS CA C 57.15 0.01 1 459 107 82 LYS CB C 32.50 0.01 1 460 107 82 LYS N N 117.51 0.01 1 461 108 83 ALA H H 7.731 0.01 1 462 108 83 ALA HA H 4.374 0.01 1 463 108 83 ALA C C 176.65 0.01 1 464 108 83 ALA CA C 50.87 0.01 1 465 108 83 ALA CB C 21.52 0.01 1 466 108 83 ALA N N 118.70 0.01 1 467 109 84 ASN H H 8.936 0.01 1 468 109 84 ASN HA H 4.973 0.01 1 469 109 84 ASN C C 175.94 0.01 1 470 109 84 ASN CA C 53.13 0.01 1 471 109 84 ASN CB C 38.67 0.01 1 472 109 84 ASN N N 116.53 0.01 1 473 110 85 THR H H 7.437 0.01 1 474 110 85 THR HA H 4.153 0.01 1 475 110 85 THR C C 173.24 0.01 1 476 110 85 THR CA C 61.99 0.01 1 477 110 85 THR CB C 69.83 0.01 1 478 110 85 THR N N 116.26 0.01 1 479 111 86 LYS H H 8.248 0.01 1 480 111 86 LYS HA H 4.247 0.01 1 481 111 86 LYS C C 176.14 0.01 1 482 111 86 LYS CA C 55.93 0.01 1 483 111 86 LYS CB C 32.70 0.01 1 484 111 86 LYS N N 124.50 0.01 1 485 112 87 MET H H 8.290 0.01 1 486 112 87 MET HA H 4.408 0.01 1 487 112 87 MET C C 175.55 0.01 1 488 112 87 MET CA C 54.78 0.01 1 489 112 87 MET CB C 33.28 0.01 1 490 112 87 MET N N 122.00 0.01 1 491 113 88 ALA H H 8.213 0.01 1 492 113 88 ALA HA H 4.256 0.01 1 493 113 88 ALA C C 177.58 0.01 1 494 113 88 ALA CA C 52.47 0.01 1 495 113 88 ALA CB C 19.14 0.01 1 496 113 88 ALA N N 125.15 0.01 1 497 114 89 LYS H H 8.261 0.01 1 498 114 89 LYS HA H 4.256 0.01 1 499 114 89 LYS C C 176.79 0.01 1 500 114 89 LYS CA C 56.34 0.01 1 501 114 89 LYS CB C 32.87 0.01 1 502 114 89 LYS N N 120.74 0.01 1 503 115 90 SER H H 8.268 0.01 1 504 115 90 SER HA H 4.393 0.01 1 505 115 90 SER C C 174.71 0.01 1 506 115 90 SER CA C 58.41 0.01 1 507 115 90 SER CB C 63.87 0.01 1 508 115 90 SER N N 116.78 0.01 1 509 116 91 LYS H H 8.346 0.01 1 510 116 91 LYS HA H 4.291 0.01 1 511 116 91 LYS C C 176.40 0.01 1 512 116 91 LYS CA C 56.33 0.01 1 513 116 91 LYS CB C 32.71 0.01 1 514 116 91 LYS N N 123.21 0.01 1 515 117 92 LEU H H 8.093 0.01 1 516 117 92 LEU HA H 4.276 0.01 1 517 117 92 LEU C C 177.08 0.01 1 518 117 92 LEU CA C 55.05 0.01 1 519 117 92 LEU CB C 42.21 0.01 1 520 117 92 LEU N N 122.47 0.01 1 521 118 93 GLU H H 8.202 0.01 1 522 118 93 GLU CA C 56.40 0.01 1 523 118 93 GLU N N 121.50 0.01 1 stop_ save_