data_17454 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for human PMP22 (WT) ; _BMRB_accession_number 17454 _BMRB_flat_file_name bmr17454.str _Entry_type original _Submission_date 2011-02-10 _Accession_date 2011-02-10 _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 Sakakura Masayoshi . . 2 Hadziselimovic Arina . . 3 Wang Zhen . . 4 Schey Kevin L. . 5 Sanders Charles R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 85 "13C chemical shifts" 171 "15N chemical shifts" 85 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-17 original author . stop_ _Original_release_date 2011-08-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis for the trembler-j phenotype of charcot-marie-tooth disease.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21827951 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sakakura Masayoshi . . 2 Hadziselimovic Arina . . 3 Wang Zhen . . 4 Schey Kevin L. . 5 Sanders Charles R. . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 19 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1160 _Page_last 1169 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PMP22-TDPC micellar complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'membrane protein' $PMP22 'detergent micelles' $tetradecylphosphocholine stop_ _System_molecular_weight . _System_physical_state 'molten globule' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PMP22 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PMP22 _Molecular_mass 19276.61 _Mol_thiol_state 'all free' loop_ _Biological_function 'playing roles in myelin formation and maintenance' 'playing roles in Schwann cell development and proliferation' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 173 _Mol_residue_sequence ; GSGWSHPQFEKGSMLLLLLS IIVLHVAVLVLLFVSTIVSQ WIVGNGHATDLWQNCSTSSS GNVHHCFSSSPNEWLQSVQA TMILSIIFSILSLFLFFCQL FTLTKGGRFYITGIFQILAG LCVMSAAAIYTVRHPEWHLN SDYSYGFAYILAWVAFPLAL LSGVIYVILRKRE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -13 GLY 2 -12 SER 3 -11 GLY 4 -10 TRP 5 -9 SER 6 -8 HIS 7 -7 PRO 8 -6 GLN 9 -5 PHE 10 -4 GLU 11 -3 LYS 12 -2 GLY 13 -1 SER 14 1 MET 15 2 LEU 16 3 LEU 17 4 LEU 18 5 LEU 19 6 LEU 20 7 SER 21 8 ILE 22 9 ILE 23 10 VAL 24 11 LEU 25 12 HIS 26 13 VAL 27 14 ALA 28 15 VAL 29 16 LEU 30 17 VAL 31 18 LEU 32 19 LEU 33 20 PHE 34 21 VAL 35 22 SER 36 23 THR 37 24 ILE 38 25 VAL 39 26 SER 40 27 GLN 41 28 TRP 42 29 ILE 43 30 VAL 44 31 GLY 45 32 ASN 46 33 GLY 47 34 HIS 48 35 ALA 49 36 THR 50 37 ASP 51 38 LEU 52 39 TRP 53 40 GLN 54 41 ASN 55 42 CYS 56 43 SER 57 44 THR 58 45 SER 59 46 SER 60 47 SER 61 48 GLY 62 49 ASN 63 50 VAL 64 51 HIS 65 52 HIS 66 53 CYS 67 54 PHE 68 55 SER 69 56 SER 70 57 SER 71 58 PRO 72 59 ASN 73 60 GLU 74 61 TRP 75 62 LEU 76 63 GLN 77 64 SER 78 65 VAL 79 66 GLN 80 67 ALA 81 68 THR 82 69 MET 83 70 ILE 84 71 LEU 85 72 SER 86 73 ILE 87 74 ILE 88 75 PHE 89 76 SER 90 77 ILE 91 78 LEU 92 79 SER 93 80 LEU 94 81 PHE 95 82 LEU 96 83 PHE 97 84 PHE 98 85 CYS 99 86 GLN 100 87 LEU 101 88 PHE 102 89 THR 103 90 LEU 104 91 THR 105 92 LYS 106 93 GLY 107 94 GLY 108 95 ARG 109 96 PHE 110 97 TYR 111 98 ILE 112 99 THR 113 100 GLY 114 101 ILE 115 102 PHE 116 103 GLN 117 104 ILE 118 105 LEU 119 106 ALA 120 107 GLY 121 108 LEU 122 109 CYS 123 110 VAL 124 111 MET 125 112 SER 126 113 ALA 127 114 ALA 128 115 ALA 129 116 ILE 130 117 TYR 131 118 THR 132 119 VAL 133 120 ARG 134 121 HIS 135 122 PRO 136 123 GLU 137 124 TRP 138 125 HIS 139 126 LEU 140 127 ASN 141 128 SER 142 129 ASP 143 130 TYR 144 131 SER 145 132 TYR 146 133 GLY 147 134 PHE 148 135 ALA 149 136 TYR 150 137 ILE 151 138 LEU 152 139 ALA 153 140 TRP 154 141 VAL 155 142 ALA 156 143 PHE 157 144 PRO 158 145 LEU 159 146 ALA 160 147 LEU 161 148 LEU 162 149 SER 163 150 GLY 164 151 VAL 165 152 ILE 166 153 TYR 167 154 VAL 168 155 ILE 169 156 LEU 170 157 ARG 171 158 LYS 172 159 ARG 173 160 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17455 TrJ-PMP22 100.00 173 99.42 99.42 3.94e-118 DBJ BAA01995 "PMP-22(PAS-II/SR13/Gas-3) [Homo sapiens]" 92.49 160 100.00 100.00 3.31e-108 DBJ BAF83329 "unnamed protein product [Homo sapiens]" 92.49 160 100.00 100.00 3.31e-108 EMBL CAA46781 "GAS-3 protein [Homo sapiens]" 57.80 100 100.00 100.00 5.34e-63 EMBL CAG46729 "PMP22 [Homo sapiens]" 92.49 160 100.00 100.00 3.31e-108 EMBL CAG46751 "PMP22 [Homo sapiens]" 92.49 160 100.00 100.00 3.31e-108 EMBL CAH91067 "hypothetical protein [Pongo abelii]" 92.49 160 100.00 100.00 3.31e-108 GB AAA36457 "peripheral myelin protein 22 [Homo sapiens]" 92.49 160 100.00 100.00 3.31e-108 GB AAA58495 "peripheral myelin protein 22 [Homo sapiens]" 92.49 160 100.00 100.00 3.31e-108 GB AAB26808 "GAS-3=growth arrest specific [human, lung fibroblast, Peptide Partial, 100 aa]" 57.80 100 99.00 99.00 1.29e-61 GB AAB26811 "peripheral myelin protein [Homo sapiens]" 92.49 160 99.38 99.38 5.26e-107 GB AAH19040 "Peripheral myelin protein 22 [Homo sapiens]" 92.49 160 100.00 100.00 3.31e-108 REF NP_000295 "peripheral myelin protein 22 [Homo sapiens]" 92.49 160 100.00 100.00 3.31e-108 REF NP_001125617 "peripheral myelin protein 22 [Pongo abelii]" 92.49 160 100.00 100.00 3.31e-108 REF NP_001244538 "peripheral myelin protein 22 [Macaca mulatta]" 92.49 160 98.75 99.38 3.36e-107 REF NP_001268384 "peripheral myelin protein 22 [Homo sapiens]" 92.49 160 100.00 100.00 3.31e-108 REF NP_001268385 "peripheral myelin protein 22 [Homo sapiens]" 92.49 160 100.00 100.00 3.31e-108 SP Q01453 "RecName: Full=Peripheral myelin protein 22; Short=PMP-22; AltName: Full=Growth arrest-specific protein 3; Short=GAS-3" 92.49 160 100.00 100.00 3.31e-108 SP Q5RAZ3 "RecName: Full=Peripheral myelin protein 22; Short=PMP-22" 92.49 160 100.00 100.00 3.31e-108 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PMP22 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 _Details $PMP22 'recombinant technology' . Escherichia coli RosettaBlue pAH13 'With the overhead sequence GSGWSHPQFEKGS uncleaved before wild type PMP22 sequence' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PMP22 0.8 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' D2O 5 % '[U-100% 2H]' H2O 95 % 'natural abundance' 'sodium acetate' 10 mM 'natural abundance' EDTA 1 mM 'natural abundance' DTT 10 mM 'natural abundance' tetradecylphosphocholine 384 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version '1.3 and 2.1' loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task 'collection (v1.3)' 'processing (v2.1)' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.114 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 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' 0.01 . M pH 5 . pH pressure 1 . atm temperature 318 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'DSS as 0 ppm 1H chemical shift' 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0 external indirect . . . 0.251449537 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0 external direct . 'separate tube (no insert) similar to the experimental sample tube' . 1 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0 external indirect . . . 0.1013290562 $entry_citation $entry_citation 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 TROSY' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D HN(CO)CACB' 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 'membrane protein' _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 -12 2 SER CA C 58.13 0.03 1 2 -12 2 SER CB C 63.88 0.01 1 3 -11 3 GLY H H 8.40 0.00 1 4 -11 3 GLY CA C 44.99 0.02 1 5 -11 3 GLY N N 111.65 0.07 1 6 -10 4 TRP H H 8.21 0.00 1 7 -10 4 TRP CA C 56.94 0.02 1 8 -10 4 TRP CB C 29.39 0.02 1 9 -10 4 TRP N N 122.10 0.06 1 10 -9 5 SER H H 8.00 0.00 1 11 -9 5 SER CA C 58.03 0.03 1 12 -9 5 SER CB C 63.65 0.01 1 13 -9 5 SER N N 116.79 0.03 1 14 -8 6 HIS H H 7.95 0.00 1 15 -8 6 HIS CA C 53.39 0.01 1 16 -8 6 HIS CB C 28.20 0.57 1 17 -8 6 HIS N N 119.51 0.05 1 18 -7 7 PRO CA C 62.92 0.01 1 19 -7 7 PRO CB C 31.12 0.01 1 20 -6 8 GLN H H 8.48 0.00 1 21 -6 8 GLN CA C 55.40 0.03 1 22 -6 8 GLN CB C 28.56 0.10 1 23 -6 8 GLN N N 120.75 0.06 1 24 -5 9 PHE H H 8.04 0.00 1 25 -5 9 PHE CA C 57.08 0.03 1 26 -5 9 PHE CB C 39.07 0.01 1 27 -5 9 PHE N N 121.28 0.06 1 28 -4 10 GLU H H 8.29 0.00 1 29 -4 10 GLU CA C 56.02 0.04 1 30 -4 10 GLU CB C 29.55 0.04 1 31 -4 10 GLU N N 121.97 0.02 1 32 -3 11 LYS H H 8.40 0.00 1 33 -3 11 LYS CA C 58.22 0.01 1 34 -3 11 LYS CB C 31.77 0.02 1 35 -3 11 LYS N N 121.80 0.05 1 36 -2 12 GLY H H 8.56 0.00 1 37 -2 12 GLY CA C 46.47 0.02 1 38 -2 12 GLY N N 108.38 0.02 1 39 -1 13 SER H H 7.82 0.00 1 40 -1 13 SER CA C 60.48 0.03 1 41 -1 13 SER CB C 62.89 0.12 1 42 -1 13 SER N N 116.85 0.06 1 43 1 14 MET H H 8.15 0.00 1 44 1 14 MET CA C 57.83 0.03 1 45 1 14 MET CB C 31.61 0.03 1 46 1 14 MET N N 121.66 0.05 1 47 2 15 LEU H H 8.06 0.00 1 48 2 15 LEU CA C 57.80 0.03 1 49 2 15 LEU CB C 40.43 0.01 1 50 2 15 LEU N N 119.92 0.06 1 51 3 16 LEU H H 7.77 0.00 1 52 3 16 LEU CA C 57.64 0.02 1 53 3 16 LEU CB C 40.56 0.02 1 54 3 16 LEU N N 118.83 0.03 1 55 4 17 LEU H H 7.96 0.00 1 56 4 17 LEU CA C 57.98 0.07 1 57 4 17 LEU CB C 40.48 0.01 1 58 4 17 LEU N N 122.24 0.05 1 59 5 18 LEU H H 8.16 0.00 1 60 5 18 LEU CA C 58.02 0.03 1 61 5 18 LEU CB C 40.57 0.00 1 62 5 18 LEU N N 119.91 0.06 1 63 6 19 LEU H H 8.43 0.00 1 64 6 19 LEU CA C 57.80 0.05 1 65 6 19 LEU CB C 40.63 0.01 1 66 6 19 LEU N N 118.10 0.04 1 67 7 20 SER H H 8.11 0.00 1 68 7 20 SER CA C 63.19 0.02 1 69 7 20 SER N N 116.05 0.04 1 70 8 21 ILE H H 7.88 0.00 1 71 8 21 ILE CA C 64.56 0.03 1 72 8 21 ILE CB C 36.80 0.57 1 73 8 21 ILE N N 121.79 0.04 1 74 9 22 ILE H H 8.13 0.00 1 75 9 22 ILE CA C 65.56 0.01 1 76 9 22 ILE CB C 36.40 0.00 1 77 9 22 ILE N N 123.70 0.04 1 78 10 23 VAL H H 8.48 0.00 1 79 10 23 VAL CA C 66.91 0.06 1 80 10 23 VAL CB C 30.06 0.02 1 81 10 23 VAL N N 120.10 0.05 1 82 11 24 LEU H H 8.12 0.01 1 83 11 24 LEU CA C 58.02 0.01 1 84 11 24 LEU CB C 40.59 0.01 1 85 11 24 LEU N N 119.63 0.05 1 86 12 25 HIS H H 7.69 0.00 1 87 12 25 HIS CA C 62.14 0.02 1 88 12 25 HIS N N 116.20 0.03 1 89 13 26 VAL H H 8.17 0.00 1 90 13 26 VAL CA C 66.68 0.02 1 91 13 26 VAL CB C 30.21 0.03 1 92 13 26 VAL N N 119.29 0.05 1 93 14 27 ALA H H 8.50 0.00 1 94 14 27 ALA CA C 55.27 0.06 1 95 14 27 ALA CB C 16.68 0.10 1 96 14 27 ALA N N 121.30 0.03 1 97 15 28 VAL H H 7.92 0.00 1 98 15 28 VAL CA C 66.70 0.03 1 99 15 28 VAL CB C 30.29 0.02 1 100 15 28 VAL N N 116.75 0.04 1 101 16 29 LEU H H 7.98 0.00 1 102 16 29 LEU CA C 58.32 0.13 1 103 16 29 LEU CB C 40.53 0.00 1 104 16 29 LEU N N 120.40 0.04 1 105 17 30 VAL H H 8.44 0.01 1 106 17 30 VAL CA C 66.88 0.02 1 107 17 30 VAL CB C 30.16 0.00 1 108 17 30 VAL N N 118.86 0.06 1 109 18 31 LEU H H 8.24 0.00 1 110 18 31 LEU CA C 57.98 0.03 1 111 18 31 LEU CB C 40.45 0.02 1 112 18 31 LEU N N 120.52 0.05 1 113 19 32 LEU H H 8.68 0.00 1 114 19 32 LEU CA C 57.81 0.03 1 115 19 32 LEU CB C 40.71 0.57 1 116 19 32 LEU N N 121.64 0.05 1 117 20 33 PHE H H 8.52 0.00 1 118 20 33 PHE CA C 61.07 0.08 1 119 20 33 PHE CB C 38.86 0.06 1 120 20 33 PHE N N 119.61 0.05 1 121 21 34 VAL H H 8.82 0.01 1 122 21 34 VAL CA C 65.55 0.03 1 123 21 34 VAL CB C 30.64 0.05 1 124 21 34 VAL N N 118.35 0.06 1 125 22 35 SER H H 8.25 0.00 1 126 22 35 SER CA C 62.19 0.02 1 127 22 35 SER N N 115.94 0.05 1 128 23 36 THR H H 7.81 0.01 1 129 23 36 THR CA C 65.63 0.03 1 130 23 36 THR CB C 68.17 0.08 1 131 23 36 THR N N 117.88 0.04 1 132 24 37 ILE H H 7.62 0.01 1 133 24 37 ILE CA C 63.46 0.03 1 134 24 37 ILE CB C 36.61 0.00 1 135 24 37 ILE N N 122.13 0.06 1 136 25 38 VAL H H 8.02 0.01 1 137 25 38 VAL CA C 65.35 0.04 1 138 25 38 VAL CB C 30.53 0.03 1 139 25 38 VAL N N 118.43 0.06 1 140 26 39 SER H H 7.94 0.00 1 141 26 39 SER CA C 61.76 0.05 1 142 26 39 SER CB C 62.82 0.02 1 143 26 39 SER N N 115.13 0.05 1 144 27 40 GLN H H 7.65 0.00 1 145 27 40 GLN CA C 57.46 0.01 1 146 27 40 GLN CB C 27.70 0.06 1 147 27 40 GLN N N 119.36 0.03 1 148 28 41 TRP H H 7.93 0.00 1 149 28 41 TRP CA C 58.83 0.02 1 150 28 41 TRP CB C 29.21 0.16 1 151 28 41 TRP N N 120.41 0.03 1 152 29 42 ILE H H 7.84 0.00 1 153 29 42 ILE CA C 62.92 0.02 1 154 29 42 ILE CB C 37.48 0.03 1 155 29 42 ILE N N 117.32 0.05 1 156 30 43 VAL H H 7.78 0.00 1 157 30 43 VAL CA C 62.87 0.02 1 158 30 43 VAL CB C 31.32 0.02 1 159 30 43 VAL N N 117.18 0.03 1 160 31 44 GLY H H 7.86 0.00 1 161 31 44 GLY CA C 45.35 0.02 1 162 31 44 GLY N N 110.00 0.04 1 163 32 45 ASN H H 7.99 0.00 1 164 32 45 ASN CA C 52.95 0.05 1 165 32 45 ASN CB C 38.61 0.04 1 166 32 45 ASN N N 119.28 0.03 1 167 33 46 GLY H H 8.17 0.00 1 168 33 46 GLY CA C 45.31 0.02 1 169 33 46 GLY N N 109.34 0.05 1 170 34 47 HIS H H 8.13 0.00 1 171 34 47 HIS CA C 55.00 0.06 1 172 34 47 HIS CB C 28.67 0.01 1 173 34 47 HIS N N 117.98 0.02 1 174 35 48 ALA H H 8.58 0.00 1 175 35 48 ALA CA C 53.75 0.04 1 176 35 48 ALA CB C 18.08 0.01 1 177 35 48 ALA N N 125.34 0.06 1 178 36 49 THR H H 7.85 0.00 1 179 36 49 THR CA C 62.95 0.03 1 180 36 49 THR CB C 68.61 0.00 1 181 36 49 THR N N 110.31 0.05 1 182 37 50 ASP H H 7.92 0.00 1 183 37 50 ASP CA C 55.06 0.05 1 184 37 50 ASP CB C 40.04 0.02 1 185 37 50 ASP N N 122.43 0.02 1 186 38 51 LEU H H 7.77 0.00 1 187 38 51 LEU CA C 56.63 0.02 1 188 38 51 LEU CB C 41.17 0.00 1 189 38 51 LEU N N 121.04 0.03 1 190 39 52 TRP H H 7.69 0.00 1 191 39 52 TRP CA C 57.67 0.08 1 192 39 52 TRP CB C 29.30 0.02 1 193 39 52 TRP N N 118.07 0.03 1 194 40 53 GLN H H 7.87 0.00 1 195 40 53 GLN CA C 56.48 0.03 1 196 40 53 GLN CB C 28.39 0.06 1 197 40 53 GLN N N 119.45 0.05 1 198 41 54 ASN H H 8.11 0.00 1 199 41 54 ASN CA C 53.49 0.04 1 200 41 54 ASN CB C 38.65 0.03 1 201 41 54 ASN N N 118.75 0.03 1 202 42 55 CYS H H 7.97 0.01 1 203 42 55 CYS CA C 58.76 0.03 1 204 42 55 CYS CB C 27.73 0.05 1 205 42 55 CYS N N 119.32 0.02 1 206 43 56 SER H H 8.05 0.00 1 207 43 56 SER CA C 58.26 0.02 1 208 43 56 SER CB C 63.79 0.02 1 209 43 56 SER N N 117.56 0.02 1 210 44 57 THR H H 8.00 0.00 1 211 44 57 THR CA C 61.77 0.04 1 212 44 57 THR CB C 69.15 0.01 1 213 44 57 THR N N 115.62 0.04 1 214 45 58 SER H H 8.09 0.00 1 215 45 58 SER CA C 58.32 0.03 1 216 45 58 SER CB C 63.71 0.01 1 217 45 58 SER N N 118.17 0.06 1 218 46 59 SER H H 8.13 0.00 1 219 46 59 SER CA C 58.32 0.02 1 220 46 59 SER CB C 63.70 0.01 1 221 46 59 SER N N 118.32 0.05 1 222 47 60 SER H H 8.17 0.00 1 223 47 60 SER CA C 58.43 0.07 1 224 47 60 SER CB C 63.65 0.02 1 225 47 60 SER N N 118.48 0.04 1 226 48 61 GLY H H 8.17 0.00 1 227 48 61 GLY CA C 45.15 0.05 1 228 48 61 GLY N N 110.91 0.06 1 229 49 62 ASN H H 8.09 0.00 1 230 49 62 ASN CA C 53.00 0.06 1 231 49 62 ASN CB C 38.45 0.03 1 232 49 62 ASN N N 119.55 0.04 1 233 50 63 VAL H H 7.85 0.00 1 234 50 63 VAL CA C 62.27 0.06 1 235 50 63 VAL CB C 31.48 0.03 1 236 50 63 VAL N N 120.27 0.00 1 237 51 64 HIS H H 8.27 0.00 1 238 51 64 HIS CA C 55.24 0.01 1 239 51 64 HIS CB C 28.65 0.57 1 240 51 64 HIS N N 121.55 0.03 1 241 52 65 HIS CA C 55.26 0.04 1 242 52 65 HIS CB C 28.81 0.57 1 243 53 66 CYS H H 8.34 0.00 1 244 53 66 CYS CA C 59.08 0.04 1 245 53 66 CYS CB C 27.76 0.05 1 246 53 66 CYS N N 120.32 0.05 1 247 54 67 PHE H H 8.11 0.00 1 248 54 67 PHE CA C 57.40 0.04 1 249 54 67 PHE CB C 38.98 0.04 1 250 54 67 PHE N N 120.50 0.04 1 251 55 68 SER H H 8.27 0.00 1 252 55 68 SER CA C 58.43 0.07 1 253 55 68 SER CB C 63.85 0.00 1 254 55 68 SER N N 116.59 0.04 1 255 56 69 SER H H 8.03 0.00 1 256 56 69 SER CA C 57.87 0.05 1 257 56 69 SER CB C 63.98 0.01 1 258 56 69 SER N N 117.65 0.06 1 259 57 70 SER H H 8.13 0.01 1 260 57 70 SER CA C 56.04 0.02 1 261 57 70 SER CB C 63.63 0.57 1 262 57 70 SER N N 117.85 0.00 1 263 58 71 PRO CA C 63.82 0.04 1 264 58 71 PRO CB C 30.83 0.05 1 265 59 72 ASN H H 8.16 0.00 1 266 59 72 ASN CA C 54.99 0.02 1 267 59 72 ASN CB C 37.80 0.02 1 268 59 72 ASN N N 116.19 0.03 1 269 60 73 GLU H H 7.93 0.00 1 270 60 73 GLU CA C 57.73 0.07 1 271 60 73 GLU CB C 28.75 0.14 1 272 60 73 GLU N N 120.11 0.06 1 273 61 74 TRP H H 7.89 0.00 1 274 61 74 TRP CA C 58.93 0.04 1 275 61 74 TRP CB C 28.70 0.57 1 276 61 74 TRP N N 121.22 0.04 1 277 62 75 LEU H H 7.76 0.00 1 278 62 75 LEU CA C 56.15 0.03 1 279 62 75 LEU CB C 40.68 0.11 1 280 62 75 LEU N N 118.86 0.04 1 281 63 76 GLN H H 7.54 0.01 1 282 63 76 GLN CA C 56.50 0.06 1 283 63 76 GLN CB C 28.12 0.04 1 284 63 76 GLN N N 116.11 0.06 1 285 64 77 SER H H 7.76 0.00 1 286 64 77 SER CA C 58.87 0.02 1 287 64 77 SER CB C 63.97 0.57 1 288 64 77 SER N N 115.25 0.05 1 289 131 144 SER CA C 60.02 0.38 1 290 131 144 SER CB C 63.56 0.57 1 291 132 145 TYR H H 7.94 0.00 1 292 132 145 TYR CA C 59.89 0.02 1 293 132 145 TYR CB C 37.24 0.57 1 294 132 145 TYR N N 121.12 0.03 1 295 133 146 GLY H H 8.17 0.00 1 296 133 146 GLY CA C 46.77 0.00 1 297 133 146 GLY N N 107.08 0.04 1 298 149 162 SER CA C 62.88 0.08 1 299 150 163 GLY H H 8.15 0.00 1 300 150 163 GLY CA C 47.14 0.04 1 301 150 163 GLY N N 109.42 0.04 1 302 151 164 VAL H H 8.08 0.00 1 303 151 164 VAL CA C 66.57 0.08 1 304 151 164 VAL CB C 28.63 0.10 1 305 151 164 VAL N N 121.57 0.03 1 306 152 165 ILE H H 8.13 0.01 1 307 152 165 ILE CA C 65.03 0.06 1 308 152 165 ILE CB C 36.24 0.04 1 309 152 165 ILE N N 119.31 0.04 1 310 153 166 TYR H H 8.31 0.00 1 311 153 166 TYR CA C 62.11 0.10 1 312 153 166 TYR CB C 37.87 0.07 1 313 153 166 TYR N N 120.09 0.04 1 314 154 167 VAL H H 8.00 0.00 1 315 154 167 VAL CA C 66.34 0.05 1 316 154 167 VAL CB C 30.46 0.08 1 317 154 167 VAL N N 117.19 0.03 1 318 155 168 ILE H H 8.00 0.01 1 319 155 168 ILE CA C 64.70 0.04 1 320 155 168 ILE CB C 36.74 0.06 1 321 155 168 ILE N N 119.38 0.03 1 322 156 169 LEU H H 8.19 0.00 1 323 156 169 LEU CA C 56.62 0.04 1 324 156 169 LEU CB C 40.97 0.08 1 325 156 169 LEU N N 118.68 0.03 1 326 157 170 ARG H H 7.88 0.01 1 327 157 170 ARG CA C 56.52 0.02 1 328 157 170 ARG CB C 28.69 0.09 1 329 157 170 ARG N N 118.59 0.03 1 330 158 171 LYS H H 7.84 0.00 1 331 158 171 LYS CA C 56.13 0.06 1 332 158 171 LYS CB C 31.53 0.02 1 333 158 171 LYS N N 119.85 0.07 1 334 159 172 ARG H H 7.74 0.00 1 335 159 172 ARG CA C 55.90 0.05 1 336 159 172 ARG CB C 29.94 0.00 1 337 159 172 ARG N N 121.51 0.01 1 338 160 173 GLU H H 7.59 0.00 1 339 160 173 GLU CA C 57.34 0.01 1 340 160 173 GLU CB C 29.88 0.57 1 341 160 173 GLU N N 126.19 0.06 1 stop_ save_