data_15131 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignment of an intrinsically disordered protein under physiological conditions: the 18.5 kDa isoform of murine myelin basic protein ; _BMRB_accession_number 15131 _BMRB_flat_file_name bmr15131.str _Entry_type original _Submission_date 2007-02-13 _Accession_date 2007-02-13 _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 Libich David S. . 2 Monette Martine M. . 3 Robertson Valerie J. . 4 Harauz George . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 551 "13C chemical shifts" 401 "15N chemical shifts" 281 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-31 update author 'add PubMed ID' 2007-10-19 update author 'add another set of assignments' 2007-06-26 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignment of an intrinsically disordered protein under physiological conditions: the 18.5 kDa isoform of murine myelin basic protein' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636827 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Libich David S. . 2 Monette Martine M. . 3 Robertson Valerie J. . 4 Harauz George . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 1 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 61 _Page_last 63 _Year 2007 _Details . loop_ _Keyword calmodulin 'multiple sclerosis' 'myelin basic protein' NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MBP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MBP $MBP stop_ _System_molecular_weight 19421.5 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MBP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MBP _Molecular_mass 19421.5 _Mol_thiol_state 'not present' loop_ _Biological_function 'involved in formation/re-modelling of myelin sheath' 'maintains structural stability of myelin sheath' stop_ _Details ; Protein is intrinsically disordered in its native state. The recombinant murine MBP (version used) has an ARG at 119 while the native murine MBP has an LYS at 119 (i.e. a semi-conservative substitution). ; ############################## # Polymer residue sequence # ############################## _Residue_count 176 _Mol_residue_sequence ; ASQKRPSQRSKYLATASTMD HARHGFLPRHRDTGILDSIG RFFSGDRGAPKRGSGKDSHT RTTHYGSLPQKSQHGRTQDE NPVVHFFKNIVTPRTPPPSQ GKGRGLSLSRFSWGAEGQRP GFGYGGRASDYKSAHKGFKG AYDAQGTLSKIFKLGGRDSR SGSPMARRLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 SER 3 GLN 4 LYS 5 ARG 6 PRO 7 SER 8 GLN 9 ARG 10 SER 11 LYS 12 TYR 13 LEU 14 ALA 15 THR 16 ALA 17 SER 18 THR 19 MET 20 ASP 21 HIS 22 ALA 23 ARG 24 HIS 25 GLY 26 PHE 27 LEU 28 PRO 29 ARG 30 HIS 31 ARG 32 ASP 33 THR 34 GLY 35 ILE 36 LEU 37 ASP 38 SER 39 ILE 40 GLY 41 ARG 42 PHE 43 PHE 44 SER 45 GLY 46 ASP 47 ARG 48 GLY 49 ALA 50 PRO 51 LYS 52 ARG 53 GLY 54 SER 55 GLY 56 LYS 57 ASP 58 SER 59 HIS 60 THR 61 ARG 62 THR 63 THR 64 HIS 65 TYR 66 GLY 67 SER 68 LEU 69 PRO 70 GLN 71 LYS 72 SER 73 GLN 74 HIS 75 GLY 76 ARG 77 THR 78 GLN 79 ASP 80 GLU 81 ASN 82 PRO 83 VAL 84 VAL 85 HIS 86 PHE 87 PHE 88 LYS 89 ASN 90 ILE 91 VAL 92 THR 93 PRO 94 ARG 95 THR 96 PRO 97 PRO 98 PRO 99 SER 100 GLN 101 GLY 102 LYS 103 GLY 104 ARG 105 GLY 106 LEU 107 SER 108 LEU 109 SER 110 ARG 111 PHE 112 SER 113 TRP 114 GLY 115 ALA 116 GLU 117 GLY 118 GLN 119 ARG 120 PRO 121 GLY 122 PHE 123 GLY 124 TYR 125 GLY 126 GLY 127 ARG 128 ALA 129 SER 130 ASP 131 TYR 132 LYS 133 SER 134 ALA 135 HIS 136 LYS 137 GLY 138 PHE 139 LYS 140 GLY 141 ALA 142 TYR 143 ASP 144 ALA 145 GLN 146 GLY 147 THR 148 LEU 149 SER 150 LYS 151 ILE 152 PHE 153 LYS 154 LEU 155 GLY 156 GLY 157 ARG 158 ASP 159 SER 160 ARG 161 SER 162 GLY 163 SER 164 PRO 165 MET 166 ALA 167 ARG 168 ARG 169 LEU 170 GLU 171 HIS 172 HIS 173 HIS 174 HIS 175 HIS 176 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-19 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 GB AAA37720 "alternate [Mus musculus]" 58.52 250 100.00 100.00 2.39e-65 GB AAA39496 "18.5 kd myelin basic protein, partial [Mus musculus]" 95.45 169 99.40 100.00 2.63e-114 GB AAA39501 "18.5 kd myelin basic protein [Mus musculus]" 95.45 169 99.40 100.00 2.63e-114 GB EDL09385 "myelin basic protein, isoform CRA_d [Mus musculus]" 58.52 250 100.00 100.00 2.39e-65 REF NP_001020426 "myelin basic protein isoform 3 [Mus musculus]" 95.45 169 99.40 100.00 2.63e-114 REF NP_001020463 "myelin basic protein isoform 2 [Rattus norvegicus]" 96.59 169 97.06 97.65 1.13e-108 REF NP_034907 "Golli-Mbp isoform 1 [Mus musculus]" 58.52 250 100.00 100.00 2.39e-65 REF XP_006526519 "PREDICTED: Golli-Mbp isoform X5 [Mus musculus]" 95.45 302 99.40 100.00 2.55e-114 REF XP_013204950 "PREDICTED: myelin basic protein isoform X2 [Microtus ochrogaster]" 95.45 302 99.40 100.00 8.39e-115 SP P04370 "RecName: Full=Myelin basic protein; Short=MBP; AltName: Full=Myelin A1 protein" 58.52 250 100.00 100.00 2.39e-65 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MBP Mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name _Details $MBP 'recombinant technology' . Escherichia coli BL21 (DE3)pLysS pET_22b(+) 'an LEHHHHHH affinity tag was included' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-MBP _Saveframe_category sample _Sample_type solution _Details '1.47mM 15N-rmMBP/C1 in 100 mM KCl, pH 6.5, 10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MBP 1.47 mM [U-15N] 'potassium chloride' 100 mM 'natural abundance' D2O 10 % [U-2H] stop_ save_ save_15N_13C-MBP _Saveframe_category sample _Sample_type solution _Details '2.0 mM 15N/13C-rmMBP/C1 in 100 mM KCl, pH 6.5, 10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MBP 2.0 mM '[U-13C; U-15N]' 'potassium chloride' 100 mM 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . http://www.bruker-biospin.com/nmr/index.html stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.5.3 loop_ _Vendor _Address _Electronic_address 'Rochus Keller' ; Rochus Keller & DATONAL AG CH-6343 Rotkreuz ; http://www.nmr.ch 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 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N-MBP save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N_13C-MBP save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $15N_13C-MBP save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $15N_13C-MBP save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $15N_13C-MBP save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $15N_13C-MBP save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 277 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 300 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct cylindrical 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 $xwinnmr stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D H(CCO)NH' '3D HBHA(CO)NH' stop_ loop_ _Sample_label $15N-MBP $15N_13C-MBP stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name MBP _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 1 1 ALA HA H 4.04 0.02 1 2 1 1 ALA HB H 1.29 0.02 1 3 1 1 ALA CA C 53.4 0.3 1 4 1 1 ALA CB C 19.2 0.3 1 5 2 2 SER H H 8.45 0.02 1 6 2 2 SER CA C 58.0 0.3 1 7 2 2 SER CB C 63.1 0.3 1 8 2 2 SER N N 113.7 0.3 1 9 4 4 LYS HA H 4.16 0.02 1 10 4 4 LYS HB3 H 1.67 0.02 1 11 4 4 LYS CA C 56.1 0.3 1 12 4 4 LYS CB C 32.7 0.3 1 13 4 4 LYS CG C 24.4 0.3 1 14 4 4 LYS CE C 41.7 0.3 1 15 5 5 ARG H H 8.35 0.02 1 16 5 5 ARG CA C 55.2 0.3 1 17 5 5 ARG CB C 30.7 0.3 1 18 5 5 ARG N N 123.9 0.3 1 19 6 6 PRO HA H 4.35 0.02 1 20 6 6 PRO HB2 H 2.24 0.02 2 21 6 6 PRO HB3 H 1.86 0.02 2 22 6 6 PRO CA C 63.0 0.3 1 23 6 6 PRO CB C 31.9 0.3 1 24 6 6 PRO CG C 27.5 0.3 1 25 6 6 PRO CD C 50.5 0.3 1 26 7 7 SER H H 8.59 0.02 1 27 7 7 SER HA H 4.42 0.02 1 28 7 7 SER HB2 H 3.81 0.02 1 29 7 7 SER CA C 58.3 0.3 1 30 7 7 SER CB C 63.7 0.3 1 31 7 7 SER N N 116.4 0.3 1 32 8 8 GLN H H 8.70 0.02 1 33 8 8 GLN HA H 4.25 0.02 1 34 8 8 GLN HB3 H 1.95 0.02 1 35 8 8 GLN CA C 55.5 0.3 1 36 8 8 GLN CB C 29.3 0.3 1 37 8 8 GLN CG C 33.6 0.3 1 38 8 8 GLN N N 123.0 0.3 1 39 9 9 ARG H H 8.67 0.02 1 40 9 9 ARG HA H 4.10 0.02 1 41 9 9 ARG HB3 H 1.65 0.02 1 42 9 9 ARG CA C 56.3 0.3 1 43 9 9 ARG CB C 32.8 0.3 1 44 9 9 ARG CG C 24.4 0.3 1 45 9 9 ARG CD C 41.6 0.3 1 46 9 9 ARG N N 123.9 0.3 1 47 10 10 SER H H 8.15 0.02 1 48 10 10 SER HA H 4.29 0.02 1 49 10 10 SER HB2 H 3.81 0.02 1 50 10 10 SER CA C 58.3 0.3 1 51 10 10 SER CB C 63.5 0.3 1 52 10 10 SER N N 116.1 0.3 1 53 11 11 LYS H H 8.42 0.02 1 54 11 11 LYS HA H 4.16 0.02 1 55 11 11 LYS HB3 H 1.61 0.02 1 56 11 11 LYS CA C 56.7 0.3 1 57 11 11 LYS CB C 32.4 0.3 1 58 11 11 LYS CG C 24.3 0.3 1 59 11 11 LYS CD C 28.4 0.3 1 60 11 11 LYS CE C 41.7 0.3 1 61 11 11 LYS N N 123.6 0.3 1 62 12 12 TYR H H 8.19 0.02 1 63 12 12 TYR HA H 4.44 0.02 1 64 12 12 TYR HB3 H 2.90 0.02 1 65 12 12 TYR CA C 57.8 0.3 1 66 12 12 TYR CB C 38.4 0.3 1 67 12 12 TYR N N 120.9 0.3 1 68 13 13 LEU H H 8.08 0.02 1 69 13 13 LEU HA H 4.25 0.02 1 70 13 13 LEU HB2 H 1.50 0.02 1 71 13 13 LEU CA C 54.6 0.3 1 72 13 13 LEU CB C 42.3 0.3 1 73 13 13 LEU CG C 26.5 0.3 1 74 13 13 LEU CD1 C 24.5 0.3 1 75 13 13 LEU CD2 C 23.3 0.3 1 76 13 13 LEU N N 124.4 0.3 1 77 14 14 ALA H H 8.32 0.02 1 78 14 14 ALA HA H 4.23 0.02 1 79 14 14 ALA HB H 1.35 0.02 1 80 14 14 ALA CA C 52.5 0.3 1 81 14 14 ALA CB C 18.8 0.3 1 82 14 14 ALA N N 125.4 0.3 1 83 15 15 THR H H 8.10 0.02 1 84 15 15 THR HA H 4.16 0.02 1 85 15 15 THR CA C 61.6 0.3 1 86 15 15 THR CB C 69.7 0.3 1 87 15 15 THR CG2 C 21.5 0.3 1 88 15 15 THR N N 113.2 0.3 1 89 16 16 ALA H H 8.39 0.02 1 90 16 16 ALA HA H 4.25 0.02 1 91 16 16 ALA HB H 1.35 0.02 1 92 16 16 ALA CA C 52.6 0.3 1 93 16 16 ALA CB C 19.0 0.3 1 94 16 16 ALA N N 126.4 0.3 1 95 17 17 SER H H 8.47 0.02 1 96 17 17 SER HA H 4.44 0.02 1 97 17 17 SER HB2 H 3.85 0.02 1 98 17 17 SER CA C 58.3 0.3 1 99 17 17 SER CB C 63.7 0.3 1 100 17 17 SER N N 115.2 0.3 1 101 18 18 THR H H 8.24 0.02 1 102 18 18 THR HA H 4.19 0.02 1 103 18 18 THR CA C 61.9 0.3 1 104 18 18 THR CB C 69.3 0.3 1 105 18 18 THR CG2 C 21.3 0.3 1 106 18 18 THR N N 115.7 0.3 1 107 19 19 MET H H 8.53 0.02 1 108 19 19 MET HA H 3.91 0.02 1 109 19 19 MET HB2 H 1.35 0.02 1 110 19 19 MET CA C 56.1 0.3 1 111 19 19 MET CB C 30.6 0.3 1 112 19 19 MET CG C 33.2 0.3 1 113 19 19 MET N N 124.1 0.3 1 114 20 20 ASP H H 8.38 0.02 1 115 20 20 ASP HA H 4.57 0.02 1 116 20 20 ASP HB2 H 2.62 0.02 1 117 20 20 ASP CA C 53.8 0.3 1 118 20 20 ASP CB C 40.9 0.3 1 119 20 20 ASP N N 120.1 0.3 1 120 21 21 HIS H H 8.53 0.02 1 121 21 21 HIS HA H 4.44 0.02 1 122 21 21 HIS HB3 H 3.00 0.02 1 123 21 21 HIS CA C 56.2 0.3 1 124 21 21 HIS CB C 30.1 0.3 1 125 21 21 HIS N N 122.0 0.3 1 126 22 22 ALA H H 8.23 0.02 1 127 22 22 ALA HA H 4.14 0.02 1 128 22 22 ALA HB H 1.31 0.02 1 129 22 22 ALA CA C 52.8 0.3 1 130 22 22 ALA CB C 18.6 0.3 1 131 22 22 ALA N N 123.7 0.3 1 132 23 23 ARG H H 8.22 0.02 1 133 23 23 ARG HA H 4.35 0.02 1 134 23 23 ARG HB3 H 1.73 0.02 1 135 23 23 ARG CA C 56.0 0.3 1 136 23 23 ARG CB C 30.8 0.3 1 137 23 23 ARG CG C 27.3 0.3 1 138 23 23 ARG CD C 40.4 0.3 1 139 23 23 ARG N N 119.5 0.3 1 140 24 24 HIS H H 8.58 0.02 1 141 24 24 HIS HA H 4.54 0.02 1 142 24 24 HIS HB3 H 3.19 0.02 1 143 24 24 HIS CA C 57.7 0.3 1 144 24 24 HIS CB C 29.4 0.3 1 145 24 24 HIS N N 122.4 0.3 1 146 25 25 GLY H H 8.31 0.02 1 147 25 25 GLY HA2 H 3.87 0.02 1 148 25 25 GLY CA C 44.9 0.3 1 149 25 25 GLY N N 110.2 0.3 1 150 26 26 PHE H H 8.24 0.02 1 151 26 26 PHE CA C 55.0 0.3 1 152 26 26 PHE CB C 42.2 0.3 1 153 26 26 PHE N N 121.7 0.3 1 154 28 28 PRO HA H 4.38 0.02 1 155 28 28 PRO HB2 H 2.24 0.02 2 156 28 28 PRO HB3 H 1.86 0.02 2 157 28 28 PRO CA C 63.4 0.3 1 158 28 28 PRO CB C 32.0 0.3 1 159 28 28 PRO CD C 50.4 0.3 1 160 29 29 ARG H H 8.45 0.02 1 161 29 29 ARG HA H 4.23 0.02 1 162 29 29 ARG HB3 H 1.67 0.02 1 163 29 29 ARG CA C 55.8 0.3 1 164 29 29 ARG CB C 31.5 0.3 1 165 29 29 ARG CG C 24.4 0.3 1 166 29 29 ARG CD C 41.8 0.3 1 167 29 29 ARG N N 120.0 0.3 1 168 30 30 HIS H H 8.60 0.02 1 169 30 30 HIS CA C 53.8 0.3 1 170 30 30 HIS CB C 29.9 0.3 1 171 30 30 HIS N N 124.4 0.3 1 172 31 31 ARG HA H 4.23 0.02 1 173 31 31 ARG HB3 H 2.01 0.02 1 174 31 31 ARG CA C 56.0 0.3 1 175 31 31 ARG CB C 29.1 0.3 1 176 31 31 ARG CG C 26.5 0.3 1 177 32 32 ASP H H 8.40 0.02 1 178 32 32 ASP HA H 4.61 0.02 1 179 32 32 ASP HB2 H 2.64 0.02 1 180 32 32 ASP CA C 54.3 0.3 1 181 32 32 ASP CB C 40.9 0.3 1 182 32 32 ASP N N 121.6 0.3 1 183 33 33 THR H H 8.27 0.02 1 184 33 33 THR HA H 4.23 0.02 1 185 33 33 THR CA C 62.0 0.3 1 186 33 33 THR CB C 69.4 0.3 1 187 33 33 THR CG2 C 21.3 0.3 1 188 33 33 THR N N 114.3 0.3 1 189 34 34 GLY H H 8.59 0.02 1 190 34 34 GLY HA2 H 3.87 0.02 1 191 34 34 GLY CA C 45.3 0.3 1 192 34 34 GLY N N 111.2 0.3 1 193 35 35 ILE H H 8.01 0.02 1 194 35 35 ILE HA H 4.10 0.02 1 195 35 35 ILE HB H 1.78 0.02 1 196 35 35 ILE CA C 61.2 0.3 1 197 35 35 ILE CB C 38.2 0.3 1 198 35 35 ILE CG1 C 26.9 0.3 1 199 35 35 ILE CG2 C 17.2 0.3 1 200 35 35 ILE CD1 C 12.6 0.3 1 201 35 35 ILE N N 120.1 0.3 1 202 36 36 LEU H H 8.42 0.02 1 203 36 36 LEU CA C 55.0 0.3 1 204 36 36 LEU CB C 42.0 0.3 1 205 36 36 LEU N N 125.8 0.3 1 206 37 37 ASP HA H 4.48 0.02 1 207 37 37 ASP HB2 H 2.79 0.02 1 208 37 37 ASP CA C 57.5 0.3 1 209 37 37 ASP CB C 39.3 0.3 1 210 38 38 SER H H 8.07 0.02 1 211 38 38 SER HA H 4.31 0.02 1 212 38 38 SER HB2 H 3.85 0.02 1 213 38 38 SER CA C 58.0 0.3 1 214 38 38 SER CB C 63.7 0.3 1 215 38 38 SER N N 117.1 0.3 1 216 39 39 ILE H H 8.10 0.02 1 217 39 39 ILE HA H 4.11 0.02 1 218 39 39 ILE HB H 1.85 0.02 1 219 39 39 ILE CA C 61.5 0.3 1 220 39 39 ILE CB C 38.1 0.3 1 221 39 39 ILE CG1 C 27.3 0.3 1 222 39 39 ILE CG2 C 17.2 0.3 1 223 39 39 ILE CD1 C 13.0 0.3 1 224 39 39 ILE N N 121.7 0.3 1 225 40 40 GLY H H 8.45 0.02 1 226 40 40 GLY HA2 H 3.89 0.02 1 227 40 40 GLY CA C 45.4 0.3 1 228 40 40 GLY N N 111.7 0.3 1 229 41 41 ARG H H 8.41 0.02 1 230 41 41 ARG HA H 4.50 0.02 1 231 41 41 ARG HB3 H 2.03 0.02 1 232 41 41 ARG CA C 56.0 0.3 1 233 41 41 ARG CB C 30.6 0.3 1 234 41 41 ARG CG C 29.1 0.3 1 235 41 41 ARG N N 120.9 0.3 1 236 42 42 PHE H H 8.34 0.02 1 237 42 42 PHE HA H 4.52 0.02 1 238 42 42 PHE HB3 H 2.94 0.02 1 239 42 42 PHE CA C 57.6 0.3 1 240 42 42 PHE CB C 39.7 0.3 1 241 42 42 PHE N N 123.0 0.3 1 242 43 43 PHE H H 8.29 0.02 1 243 43 43 PHE HA H 4.57 0.02 1 244 43 43 PHE HB3 H 2.96 0.02 1 245 43 43 PHE CA C 57.8 0.3 1 246 43 43 PHE CB C 40.1 0.3 1 247 43 43 PHE N N 125.8 0.3 1 248 44 44 SER H H 8.38 0.02 1 249 44 44 SER HA H 4.42 0.02 1 250 44 44 SER HB2 H 3.85 0.02 1 251 44 44 SER CA C 58.1 0.3 1 252 44 44 SER CB C 63.8 0.3 1 253 44 44 SER N N 118.2 0.3 1 254 45 45 GLY H H 8.66 0.02 1 255 45 45 GLY HA2 H 3.85 0.02 1 256 45 45 GLY CA C 45.1 0.3 1 257 45 45 GLY N N 111.1 0.3 1 258 46 46 ASP H H 8.30 0.02 1 259 46 46 ASP HA H 4.16 0.02 1 260 46 46 ASP HB2 H 2.71 0.02 1 261 46 46 ASP CA C 53.9 0.3 1 262 46 46 ASP CB C 41.1 0.3 1 263 46 46 ASP N N 120.5 0.3 1 264 47 47 ARG H H 8.53 0.02 1 265 47 47 ARG HA H 4.54 0.02 1 266 47 47 ARG HB3 H 1.67 0.02 1 267 47 47 ARG CA C 56.0 0.3 1 268 47 47 ARG CB C 30.0 0.3 1 269 47 47 ARG CG C 27.3 0.3 1 270 47 47 ARG CD C 43.0 0.3 1 271 47 47 ARG N N 124.0 0.3 1 272 48 48 GLY H H 8.50 0.02 1 273 48 48 GLY HA2 H 3.85 0.02 1 274 48 48 GLY CA C 44.7 0.3 1 275 48 48 GLY N N 109.8 0.3 1 276 49 49 ALA H H 8.11 0.02 1 277 49 49 ALA CA C 50.4 0.3 1 278 49 49 ALA CB C 17.8 0.3 1 279 49 49 ALA N N 124.8 0.3 1 280 50 50 PRO HA H 4.31 0.02 1 281 50 50 PRO HB2 H 2.20 0.02 2 282 50 50 PRO HB3 H 1.82 0.02 2 283 50 50 PRO CA C 62.8 0.3 1 284 50 50 PRO CB C 31.8 0.3 1 285 50 50 PRO CD C 50.3 0.3 1 286 51 51 LYS H H 8.61 0.02 1 287 51 51 LYS HA H 4.27 0.02 1 288 51 51 LYS HB3 H 1.97 0.02 1 289 51 51 LYS CA C 55.4 0.3 1 290 51 51 LYS CB C 29.5 0.3 1 291 51 51 LYS N N 121.3 0.3 1 292 52 52 ARG H H 8.57 0.02 1 293 52 52 ARG HA H 4.23 0.02 1 294 52 52 ARG HB3 H 1.76 0.02 1 295 52 52 ARG CA C 56.0 0.3 1 296 52 52 ARG CB C 32.7 0.3 1 297 52 52 ARG CG C 24.4 0.3 1 298 52 52 ARG CD C 41.9 0.3 1 299 52 52 ARG N N 123.8 0.3 1 300 53 53 GLY H H 8.61 0.02 1 301 53 53 GLY HA2 H 3.91 0.02 1 302 53 53 GLY CA C 45.2 0.3 1 303 53 53 GLY N N 110.1 0.3 1 304 54 54 SER H H 8.26 0.02 1 305 54 54 SER HA H 4.38 0.02 1 306 54 54 SER HB2 H 3.81 0.02 1 307 54 54 SER CA C 56.3 0.3 1 308 54 54 SER CB C 63.3 0.3 1 309 54 54 SER N N 116.9 0.3 1 310 55 55 GLY H H 8.49 0.02 1 311 55 55 GLY HA2 H 3.81 0.02 1 312 55 55 GLY CA C 44.9 0.3 1 313 55 55 GLY N N 111.0 0.3 1 314 56 56 LYS H H 8.24 0.02 1 315 56 56 LYS HA H 4.27 0.02 1 316 56 56 LYS HB3 H 1.92 0.02 1 317 56 56 LYS CA C 55.8 0.3 1 318 56 56 LYS CB C 32.8 0.3 1 319 56 56 LYS CG C 21.3 0.3 1 320 56 56 LYS N N 123.8 0.3 1 321 57 57 ASP H H 8.33 0.02 1 322 57 57 ASP HA H 4.46 0.02 1 323 57 57 ASP HB2 H 2.60 0.02 1 324 57 57 ASP CA C 54.4 0.3 1 325 57 57 ASP CB C 40.6 0.3 1 326 57 57 ASP N N 121.6 0.3 1 327 58 58 SER H H 8.27 0.02 1 328 58 58 SER HA H 4.33 0.02 1 329 58 58 SER HB2 H 3.83 0.02 1 330 58 58 SER CA C 58.6 0.3 1 331 58 58 SER CB C 63.5 0.3 1 332 58 58 SER N N 115.5 0.3 1 333 59 59 HIS H H 8.49 0.02 1 334 59 59 HIS HA H 4.61 0.02 1 335 59 59 HIS HB3 H 3.11 0.02 1 336 59 59 HIS CA C 56.2 0.3 1 337 59 59 HIS CB C 30.3 0.3 1 338 59 59 HIS N N 122.8 0.3 1 339 60 60 THR H H 8.14 0.02 1 340 60 60 THR HA H 4.35 0.02 1 341 60 60 THR HB H 3.81 0.02 1 342 60 60 THR CA C 62.0 0.3 1 343 60 60 THR CB C 69.5 0.3 1 344 60 60 THR CG2 C 21.4 0.3 1 345 60 60 THR N N 115.4 0.3 1 346 61 61 ARG H H 8.59 0.02 1 347 61 61 ARG HA H 4.29 0.02 1 348 61 61 ARG HB3 H 1.80 0.02 1 349 61 61 ARG CA C 55.7 0.3 1 350 61 61 ARG CB C 30.5 0.3 1 351 61 61 ARG CG C 26.9 0.3 1 352 61 61 ARG CD C 43.1 0.3 1 353 61 61 ARG N N 122.1 0.3 1 354 62 62 THR H H 8.35 0.02 1 355 62 62 THR HA H 4.31 0.02 1 356 62 62 THR HB H 4.10 0.02 1 357 62 62 THR CA C 61.7 0.3 1 358 62 62 THR CB C 69.6 0.3 1 359 62 62 THR CG2 C 21.3 0.3 1 360 62 62 THR N N 115.9 0.3 1 361 63 63 THR H H 8.22 0.02 1 362 63 63 THR CA C 61.7 0.3 1 363 63 63 THR CB C 69.6 0.3 1 364 63 63 THR N N 116.8 0.3 1 365 64 64 HIS HA H 4.52 0.02 1 366 64 64 HIS HB3 H 2.92 0.02 1 367 64 64 HIS CA C 55.9 0.3 1 368 64 64 HIS CB C 30.4 0.3 1 369 65 65 TYR H H 8.31 0.02 1 370 65 65 TYR HA H 4.42 0.02 1 371 65 65 TYR HB3 H 2.90 0.02 1 372 65 65 TYR CA C 57.8 0.3 1 373 65 65 TYR CB C 38.5 0.3 1 374 65 65 TYR N N 122.3 0.3 1 375 66 66 GLY H H 8.55 0.02 1 376 66 66 GLY HA2 H 3.85 0.02 1 377 66 66 GLY CA C 45.2 0.3 1 378 66 66 GLY N N 111.6 0.3 1 379 67 67 SER H H 8.22 0.02 1 380 67 67 SER HA H 4.38 0.02 1 381 67 67 SER HB2 H 3.78 0.02 1 382 67 67 SER CA C 58.1 0.3 1 383 67 67 SER CB C 63.5 0.3 1 384 67 67 SER N N 115.7 0.3 1 385 68 68 LEU H H 8.39 0.02 1 386 68 68 LEU CA C 53.1 0.3 1 387 68 68 LEU CB C 41.3 0.3 1 388 68 68 LEU N N 125.1 0.3 1 389 70 70 GLN HA H 4.16 0.02 1 390 70 70 GLN HB3 H 1.82 0.02 1 391 70 70 GLN CA C 56.3 0.3 1 392 70 70 GLN CB C 30.0 0.3 1 393 70 70 GLN CG C 35.8 0.3 1 394 71 71 LYS H H 8.36 0.02 1 395 71 71 LYS HA H 4.29 0.02 1 396 71 71 LYS HB3 H 1.57 0.02 1 397 71 71 LYS CA C 55.5 0.3 1 398 71 71 LYS CB C 30.6 0.3 1 399 71 71 LYS CG C 23.2 0.3 1 400 71 71 LYS CD C 24.6 0.3 1 401 71 71 LYS CE C 43.1 0.3 1 402 71 71 LYS N N 120.1 0.3 1 403 72 72 SER H H 8.34 0.02 1 404 72 72 SER HA H 4.33 0.02 1 405 72 72 SER HB2 H 3.81 0.02 1 406 72 72 SER CA C 58.4 0.3 1 407 72 72 SER CB C 63.6 0.3 1 408 72 72 SER N N 116.3 0.3 1 409 73 73 GLN H H 8.58 0.02 1 410 73 73 GLN HA H 4.29 0.02 1 411 73 73 GLN HB3 H 2.01 0.02 1 412 73 73 GLN CA C 55.8 0.3 1 413 73 73 GLN CB C 29.2 0.3 1 414 73 73 GLN CG C 33.5 0.3 1 415 73 73 GLN N N 122.3 0.3 1 416 74 74 HIS H H 8.48 0.02 1 417 74 74 HIS HA H 4.57 0.02 1 418 74 74 HIS HB3 H 3.04 0.02 1 419 74 74 HIS CA C 56.1 0.3 1 420 74 74 HIS CB C 30.4 0.3 1 421 74 74 HIS N N 122.5 0.3 1 422 75 75 GLY H H 8.48 0.02 1 423 75 75 GLY HA2 H 3.81 0.02 1 424 75 75 GLY CA C 44.9 0.3 1 425 75 75 GLY N N 110.2 0.3 1 426 76 76 ARG H H 8.12 0.02 1 427 76 76 ARG CA C 56.1 0.3 1 428 76 76 ARG CB C 30.4 0.3 1 429 76 76 ARG N N 120.4 0.3 1 430 77 77 THR H H 8.45 0.02 1 431 77 77 THR HA H 4.29 0.02 1 432 77 77 THR HB H 3.83 0.02 1 433 77 77 THR CA C 62.0 0.3 1 434 77 77 THR CB C 69.6 0.3 1 435 77 77 THR CG2 C 21.4 0.3 1 436 77 77 THR N N 116.2 0.3 1 437 78 78 GLN H H 8.60 0.02 1 438 78 78 GLN HA H 4.12 0.02 1 439 78 78 GLN HB3 H 1.63 0.02 1 440 78 78 GLN CA C 55.8 0.3 1 441 78 78 GLN CB C 29.1 0.3 1 442 78 78 GLN CG C 31.8 0.3 1 443 78 78 GLN N N 122.2 0.3 1 444 79 79 ASP H H 8.45 0.02 1 445 79 79 ASP HA H 4.48 0.02 1 446 79 79 ASP HB2 H 2.58 0.02 1 447 79 79 ASP CA C 53.4 0.3 1 448 79 79 ASP CB C 38.5 0.3 1 449 79 79 ASP N N 120.0 0.3 1 450 80 80 GLU H H 8.39 0.02 1 451 80 80 GLU HA H 4.16 0.02 1 452 80 80 GLU HB2 H 1.92 0.02 1 453 80 80 GLU CA C 56.0 0.3 1 454 80 80 GLU CB C 30.4 0.3 1 455 80 80 GLU CG C 36.1 0.3 1 456 80 80 GLU N N 120.8 0.3 1 457 81 81 ASN H H 8.58 0.02 1 458 81 81 ASN CA C 51.2 0.3 1 459 81 81 ASN CB C 38.6 0.3 1 460 81 81 ASN N N 120.7 0.3 1 461 83 83 VAL HA H 3.91 0.02 1 462 83 83 VAL HB H 1.90 0.02 1 463 83 83 VAL CA C 62.1 0.3 1 464 83 83 VAL CB C 32.2 0.3 1 465 83 83 VAL CG1 C 20.6 0.3 1 466 84 84 VAL H H 8.16 0.02 1 467 84 84 VAL HA H 4.21 0.02 1 468 84 84 VAL HB H 1.73 0.02 1 469 84 84 VAL CA C 62.1 0.3 1 470 84 84 VAL CB C 30.8 0.3 1 471 84 84 VAL CG1 C 21.1 0.3 1 472 84 84 VAL N N 124.6 0.3 1 473 85 85 HIS H H 8.39 0.02 1 474 85 85 HIS HA H 4.52 0.02 1 475 85 85 HIS HB3 H 2.81 0.02 1 476 85 85 HIS CA C 61.2 0.3 1 477 85 85 HIS CB C 30.9 0.3 1 478 85 85 HIS N N 122.5 0.3 1 479 86 86 PHE H H 8.22 0.02 1 480 86 86 PHE CA C 57.5 0.3 1 481 86 86 PHE CB C 39.7 0.3 1 482 86 86 PHE N N 122.0 0.3 1 483 87 87 PHE HA H 4.54 0.02 1 484 87 87 PHE HB3 H 2.98 0.02 1 485 87 87 PHE CA C 57.6 0.3 1 486 87 87 PHE CB C 39.6 0.3 1 487 88 88 LYS H H 8.48 0.02 1 488 88 88 LYS HA H 4.25 0.02 1 489 88 88 LYS HB3 H 1.71 0.02 1 490 88 88 LYS CA C 56.2 0.3 1 491 88 88 LYS CB C 32.5 0.3 1 492 88 88 LYS CG C 24.2 0.3 1 493 88 88 LYS CD C 28.3 0.3 1 494 88 88 LYS CE C 41.8 0.3 1 495 88 88 LYS N N 124.3 0.3 1 496 89 89 ASN H H 8.49 0.02 1 497 89 89 ASN HA H 4.46 0.02 1 498 89 89 ASN HB2 H 2.58 0.02 1 499 89 89 ASN CA C 54.1 0.3 1 500 89 89 ASN CB C 40.8 0.3 1 501 89 89 ASN N N 121.0 0.3 1 502 90 90 ILE H H 8.27 0.02 1 503 90 90 ILE CA C 56.3 0.3 1 504 90 90 ILE CB C 40.2 0.3 1 505 90 90 ILE N N 120.0 0.3 1 506 93 93 PRO HA H 4.23 0.02 1 507 93 93 PRO HB2 H 1.71 0.02 1 508 93 93 PRO CA C 62.6 0.3 1 509 93 93 PRO CB C 31.8 0.3 1 510 93 93 PRO CG C 24.3 0.3 1 511 93 93 PRO CD C 50.2 0.3 1 512 94 94 ARG H H 8.49 0.02 1 513 94 94 ARG HA H 4.27 0.02 1 514 94 94 ARG HB3 H 1.73 0.02 1 515 94 94 ARG CA C 56.2 0.3 1 516 94 94 ARG CB C 30.3 0.3 1 517 94 94 ARG CG C 27.0 0.3 1 518 94 94 ARG CD C 43.1 0.3 1 519 94 94 ARG N N 121.1 0.3 1 520 95 95 THR H H 8.36 0.02 1 521 95 95 THR CA C 59.5 0.3 1 522 95 95 THR CB C 69.5 0.3 1 523 95 95 THR N N 118.8 0.3 1 524 98 98 PRO HA H 4.35 0.02 1 525 98 98 PRO HB2 H 2.24 0.02 2 526 98 98 PRO HB3 H 1.86 0.02 2 527 98 98 PRO CA C 62.8 0.3 1 528 98 98 PRO CB C 31.7 0.3 1 529 98 98 PRO CG C 27.2 0.3 1 530 98 98 PRO CD C 50.2 0.3 1 531 99 99 SER H H 8.52 0.02 1 532 99 99 SER HA H 4.33 0.02 1 533 99 99 SER HB2 H 3.74 0.02 1 534 99 99 SER CA C 58.1 0.3 1 535 99 99 SER CB C 63.4 0.3 1 536 99 99 SER N N 116.0 0.3 1 537 100 100 GLN H H 8.17 0.02 1 538 100 100 GLN HA H 4.10 0.02 1 539 100 100 GLN HB3 H 1.92 0.02 1 540 100 100 GLN CA C 57.3 0.3 1 541 100 100 GLN CB C 29.3 0.3 1 542 100 100 GLN CG C 36.0 0.3 1 543 100 100 GLN N N 123.0 0.3 1 544 101 101 GLY H H 8.37 0.02 1 545 101 101 GLY HA2 H 3.91 0.02 1 546 101 101 GLY CA C 44.9 0.3 1 547 101 101 GLY N N 109.4 0.3 1 548 102 102 LYS H H 8.35 0.02 1 549 102 102 LYS HA H 4.25 0.02 1 550 102 102 LYS HB2 H 2.09 0.02 2 551 102 102 LYS HB3 H 1.90 0.02 2 552 102 102 LYS CA C 56.1 0.3 1 553 102 102 LYS CB C 32.4 0.3 1 554 102 102 LYS CG C 24.4 0.3 1 555 102 102 LYS CD C 27.1 0.3 1 556 102 102 LYS CE C 41.8 0.3 1 557 102 102 LYS N N 121.1 0.3 1 558 103 103 GLY H H 8.51 0.02 1 559 103 103 GLY HA2 H 3.81 0.02 1 560 103 103 GLY CA C 44.9 0.3 1 561 103 103 GLY N N 110.1 0.3 1 562 104 104 ARG H H 8.26 0.02 1 563 104 104 ARG HA H 4.27 0.02 1 564 104 104 ARG HB3 H 1.73 0.02 1 565 104 104 ARG CA C 56.1 0.3 1 566 104 104 ARG CB C 30.4 0.3 1 567 104 104 ARG CG C 27.0 0.3 1 568 104 104 ARG CD C 43.0 0.3 1 569 104 104 ARG N N 120.4 0.3 1 570 105 105 GLY H H 8.64 0.02 1 571 105 105 GLY CA C 44.9 0.3 1 572 105 105 GLY N N 110.9 0.3 1 573 106 106 LEU HA H 4.57 0.02 1 574 106 106 LEU HB2 H 2.62 0.02 1 575 106 106 LEU CA C 54.2 0.3 1 576 106 106 LEU CB C 41.0 0.3 1 577 107 107 SER H H 8.30 0.02 1 578 107 107 SER HA H 4.50 0.02 1 579 107 107 SER HB2 H 4.25 0.02 1 580 107 107 SER CA C 57.8 0.3 1 581 107 107 SER CB C 63.3 0.3 1 582 107 107 SER N N 116.2 0.3 1 583 108 108 LEU H H 8.34 0.02 1 584 108 108 LEU HA H 4.31 0.02 1 585 108 108 LEU HB2 H 1.78 0.02 1 586 108 108 LEU CA C 55.4 0.3 1 587 108 108 LEU CB C 40.9 0.3 1 588 108 108 LEU N N 122.0 0.3 1 589 109 109 SER H H 8.33 0.02 1 590 109 109 SER HA H 4.27 0.02 1 591 109 109 SER HB2 H 3.83 0.02 1 592 109 109 SER CA C 58.4 0.3 1 593 109 109 SER CB C 63.5 0.3 1 594 109 109 SER N N 116.2 0.3 1 595 110 110 ARG H H 8.34 0.02 1 596 110 110 ARG HA H 4.38 0.02 1 597 110 110 ARG HB2 H 2.18 0.02 2 598 110 110 ARG HB3 H 1.82 0.02 2 599 110 110 ARG CA C 56.4 0.3 1 600 110 110 ARG CB C 32.4 0.3 1 601 110 110 ARG N N 123.4 0.3 1 602 111 111 PHE H H 8.29 0.02 1 603 111 111 PHE HA H 4.57 0.02 1 604 111 111 PHE HB3 H 2.64 0.02 1 605 111 111 PHE CA C 54.1 0.3 1 606 111 111 PHE CB C 40.9 0.3 1 607 111 111 PHE N N 121.0 0.3 1 608 112 112 SER H H 8.42 0.02 1 609 112 112 SER CA C 58.6 0.3 1 610 112 112 SER CB C 63.4 0.3 1 611 112 112 SER N N 117.4 0.3 1 612 113 113 TRP HA H 4.49 0.02 1 613 113 113 TRP HB3 H 2.99 0.02 1 614 113 113 TRP CA C 56.1 0.3 1 615 113 113 TRP CB C 30.3 0.3 1 616 114 114 GLY H H 8.38 0.02 1 617 114 114 GLY HA2 H 3.83 0.02 1 618 114 114 GLY CA C 45.0 0.3 1 619 114 114 GLY N N 109.9 0.3 1 620 115 115 ALA H H 8.24 0.02 1 621 115 115 ALA HA H 4.10 0.02 1 622 115 115 ALA HB H 1.33 0.02 1 623 115 115 ALA CA C 52.7 0.3 1 624 115 115 ALA CB C 18.9 0.3 1 625 115 115 ALA N N 124.0 0.3 1 626 116 116 GLU H H 8.39 0.02 1 627 116 116 GLU HA H 4.19 0.02 1 628 116 116 GLU HB2 H 2.05 0.02 1 629 116 116 GLU CA C 55.8 0.3 1 630 116 116 GLU CB C 28.7 0.3 1 631 116 116 GLU CG C 33.8 0.3 1 632 116 116 GLU N N 117.8 0.3 1 633 117 117 GLY H H 8.33 0.02 1 634 117 117 GLY HA2 H 3.76 0.02 1 635 117 117 GLY CA C 45.4 0.3 1 636 117 117 GLY N N 109.2 0.3 1 637 118 118 GLN H H 8.13 0.02 1 638 118 118 GLN HA H 4.16 0.02 1 639 118 118 GLN HB3 H 1.95 0.02 1 640 118 118 GLN CA C 55.3 0.3 1 641 118 118 GLN CB C 29.3 0.3 1 642 118 118 GLN CG C 33.4 0.3 1 643 118 118 GLN N N 119.4 0.3 1 644 119 119 ARG H H 8.38 0.02 1 645 119 119 ARG CA C 54.0 0.3 1 646 119 119 ARG CB C 32.1 0.3 1 647 119 119 ARG N N 124.1 0.3 1 648 120 120 PRO HA H 4.23 0.02 1 649 120 120 PRO HB2 H 2.12 0.02 1 650 120 120 PRO HG2 H 1.69 0.02 1 651 120 120 PRO CA C 63.4 0.3 1 652 120 120 PRO CB C 31.8 0.3 1 653 120 120 PRO CG C 27.2 0.3 1 654 120 120 PRO CD C 50.5 0.3 1 655 121 121 GLY H H 8.49 0.02 1 656 121 121 GLY HA2 H 3.76 0.02 1 657 121 121 GLY CA C 44.7 0.3 1 658 121 121 GLY N N 109.4 0.3 1 659 122 122 PHE H H 8.15 0.02 1 660 122 122 PHE HA H 4.42 0.02 1 661 122 122 PHE HB3 H 2.96 0.02 1 662 122 122 PHE CA C 57.8 0.3 1 663 122 122 PHE CB C 38.4 0.3 1 664 122 122 PHE N N 120.5 0.3 1 665 123 123 GLY H H 8.40 0.02 1 666 123 123 GLY HA2 H 3.81 0.02 1 667 123 123 GLY CA C 44.9 0.3 1 668 123 123 GLY N N 110.9 0.3 1 669 124 124 TYR H H 8.16 0.02 1 670 124 124 TYR HA H 4.44 0.02 1 671 124 124 TYR HB3 H 2.96 0.02 1 672 124 124 TYR CA C 57.6 0.3 1 673 124 124 TYR CB C 39.5 0.3 1 674 124 124 TYR N N 120.4 0.3 1 675 125 125 GLY H H 8.39 0.02 1 676 125 125 GLY HA2 H 3.78 0.02 1 677 125 125 GLY CA C 44.9 0.3 1 678 125 125 GLY N N 110.7 0.3 1 679 126 126 GLY H H 7.93 0.02 1 680 126 126 GLY HA2 H 3.87 0.02 1 681 126 126 GLY CA C 45.0 0.3 1 682 126 126 GLY N N 108.2 0.3 1 683 127 127 ARG H H 8.42 0.02 1 684 127 127 ARG HA H 4.27 0.02 1 685 127 127 ARG HB2 H 1.78 0.02 2 686 127 127 ARG HB3 H 1.63 0.02 2 687 127 127 ARG CA C 55.9 0.3 1 688 127 127 ARG CB C 30.5 0.3 1 689 127 127 ARG CG C 26.9 0.3 1 690 127 127 ARG CD C 42.9 0.3 1 691 127 127 ARG N N 121.0 0.3 1 692 128 128 ALA H H 8.61 0.02 1 693 128 128 ALA HA H 4.19 0.02 1 694 128 128 ALA HB H 1.35 0.02 1 695 128 128 ALA CA C 53.1 0.3 1 696 128 128 ALA CB C 18.6 0.3 1 697 128 128 ALA N N 125.8 0.3 1 698 129 129 SER H H 8.36 0.02 1 699 129 129 SER HA H 4.52 0.02 1 700 129 129 SER HB2 H 3.78 0.02 1 701 129 129 SER CA C 58.7 0.3 1 702 129 129 SER CB C 63.2 0.3 1 703 129 129 SER N N 114.1 0.3 1 704 130 130 ASP H H 8.20 0.02 1 705 130 130 ASP HA H 4.52 0.02 1 706 130 130 ASP HB2 H 2.58 0.02 1 707 130 130 ASP CA C 54.2 0.3 1 708 130 130 ASP CB C 40.6 0.3 1 709 130 130 ASP N N 121.8 0.3 1 710 131 131 TYR H H 8.04 0.02 1 711 131 131 TYR HA H 4.33 0.02 1 712 131 131 TYR HB3 H 2.94 0.02 1 713 131 131 TYR CA C 58.6 0.3 1 714 131 131 TYR CB C 38.2 0.3 1 715 131 131 TYR N N 120.6 0.3 1 716 132 132 LYS H H 8.15 0.02 1 717 132 132 LYS HA H 4.23 0.02 1 718 132 132 LYS HB3 H 1.73 0.02 1 719 132 132 LYS CA C 56.4 0.3 1 720 132 132 LYS CB C 32.6 0.3 1 721 132 132 LYS CG C 23.0 0.3 1 722 132 132 LYS CD C 26.8 0.3 1 723 132 132 LYS CE C 43.0 0.3 1 724 132 132 LYS N N 122.7 0.3 1 725 133 133 SER H H 8.46 0.02 1 726 133 133 SER HA H 4.54 0.02 1 727 133 133 SER HB2 H 3.76 0.02 1 728 133 133 SER CA C 58.3 0.3 1 729 133 133 SER CB C 63.5 0.3 1 730 133 133 SER N N 117.4 0.3 1 731 134 134 ALA H H 8.28 0.02 1 732 134 134 ALA HA H 4.19 0.02 1 733 134 134 ALA HB H 1.25 0.02 1 734 134 134 ALA CA C 52.4 0.3 1 735 134 134 ALA CB C 18.9 0.3 1 736 134 134 ALA N N 125.6 0.3 1 737 135 135 HIS H H 8.22 0.02 1 738 135 135 HIS HA H 4.52 0.02 1 739 135 135 HIS HB3 H 3.00 0.02 1 740 135 135 HIS CA C 56.1 0.3 1 741 135 135 HIS CB C 30.3 0.3 1 742 135 135 HIS N N 118.6 0.3 1 743 136 136 LYS H H 8.15 0.02 1 744 136 136 LYS CA C 57.1 0.3 1 745 136 136 LYS CB C 30.2 0.3 1 746 136 136 LYS N N 125.5 0.3 1 747 137 137 GLY HA2 H 3.76 0.02 1 748 137 137 GLY CA C 44.7 0.3 1 749 138 138 PHE H H 8.19 0.02 1 750 138 138 PHE HA H 4.48 0.02 1 751 138 138 PHE HB3 H 3.00 0.02 1 752 138 138 PHE CA C 58.1 0.3 1 753 138 138 PHE CB C 39.4 0.3 1 754 138 138 PHE N N 120.0 0.3 1 755 139 139 LYS H H 8.23 0.02 1 756 139 139 LYS HA H 4.16 0.02 1 757 139 139 LYS HB3 H 1.67 0.02 1 758 139 139 LYS CA C 56.1 0.3 1 759 139 139 LYS CB C 32.5 0.3 1 760 139 139 LYS CG C 24.3 0.3 1 761 139 139 LYS CD C 28.2 0.3 1 762 139 139 LYS CE C 41.7 0.3 1 763 139 139 LYS N N 123.1 0.3 1 764 140 140 GLY H H 7.91 0.02 1 765 140 140 GLY HA2 H 3.76 0.02 1 766 140 140 GLY CA C 44.9 0.3 1 767 140 140 GLY N N 109.7 0.3 1 768 141 141 ALA H H 8.18 0.02 1 769 141 141 ALA HA H 4.19 0.02 1 770 141 141 ALA HB H 1.25 0.02 1 771 141 141 ALA CA C 52.4 0.3 1 772 141 141 ALA CB C 18.9 0.3 1 773 141 141 ALA N N 123.5 0.3 1 774 142 142 TYR H H 8.31 0.02 1 775 142 142 TYR HA H 4.46 0.02 1 776 142 142 TYR HB3 H 2.90 0.02 1 777 142 142 TYR CA C 57.7 0.3 1 778 142 142 TYR CB C 38.8 0.3 1 779 142 142 TYR N N 119.4 0.3 1 780 143 143 ASP H H 8.24 0.02 1 781 143 143 ASP HA H 4.48 0.02 1 782 143 143 ASP HB2 H 2.56 0.02 1 783 143 143 ASP CA C 53.4 0.3 1 784 143 143 ASP CB C 40.9 0.3 1 785 143 143 ASP N N 122.6 0.3 1 786 144 144 ALA H H 8.31 0.02 1 787 144 144 ALA HA H 4.19 0.02 1 788 144 144 ALA HB H 1.33 0.02 1 789 144 144 ALA CA C 52.5 0.3 1 790 144 144 ALA CB C 18.6 0.3 1 791 144 144 ALA N N 124.6 0.3 1 792 145 145 GLN H H 8.62 0.02 1 793 145 145 GLN HA H 4.23 0.02 1 794 145 145 GLN HB2 H 1.78 0.02 2 795 145 145 GLN HB3 H 1.61 0.02 2 796 145 145 GLN CA C 56.7 0.3 1 797 145 145 GLN CB C 29.7 0.3 1 798 145 145 GLN N N 119.5 0.3 1 799 146 146 GLY H H 8.58 0.02 1 800 146 146 GLY HA2 H 3.89 0.02 1 801 146 146 GLY CA C 45.1 0.3 1 802 146 146 GLY N N 109.9 0.3 1 803 147 147 THR H H 8.18 0.02 1 804 147 147 THR HA H 4.19 0.02 1 805 147 147 THR HB H 3.81 0.02 1 806 147 147 THR CA C 62.5 0.3 1 807 147 147 THR CB C 69.4 0.3 1 808 147 147 THR CG2 C 21.5 0.3 1 809 147 147 THR N N 114.7 0.3 1 810 148 148 LEU H H 8.43 0.02 1 811 148 148 LEU HA H 4.27 0.02 1 812 148 148 LEU HB2 H 1.76 0.02 2 813 148 148 LEU HB3 H 1.54 0.02 2 814 148 148 LEU CA C 55.3 0.3 1 815 148 148 LEU CB C 41.8 0.3 1 816 148 148 LEU N N 124.5 0.3 1 817 149 149 SER H H 8.45 0.02 1 818 149 149 SER HA H 4.29 0.02 1 819 149 149 SER HB2 H 3.83 0.02 1 820 149 149 SER CA C 58.0 0.3 1 821 149 149 SER CB C 63.2 0.3 1 822 149 149 SER N N 116.7 0.3 1 823 150 150 LYS H H 8.44 0.02 1 824 150 150 LYS HA H 4.21 0.02 1 825 150 150 LYS HB3 H 1.69 0.02 1 826 150 150 LYS CA C 56.0 0.3 1 827 150 150 LYS CB C 32.4 0.3 1 828 150 150 LYS CG C 24.6 0.3 1 829 150 150 LYS CE C 41.8 0.3 1 830 150 150 LYS N N 121.6 0.3 1 831 151 151 ILE H H 8.00 0.02 1 832 151 151 ILE HA H 4.04 0.02 1 833 151 151 ILE HB H 1.69 0.02 1 834 151 151 ILE CA C 61.2 0.3 1 835 151 151 ILE CB C 38.3 0.3 1 836 151 151 ILE CG1 C 27.0 0.3 1 837 151 151 ILE CG2 C 17.1 0.3 1 838 151 151 ILE CD1 C 12.5 0.3 1 839 151 151 ILE N N 120.8 0.3 1 840 152 152 PHE H H 8.36 0.02 1 841 152 152 PHE CA C 57.7 0.3 1 842 152 152 PHE CB C 39.4 0.3 1 843 152 152 PHE N N 124.8 0.3 1 844 153 153 LYS HA H 4.21 0.02 1 845 153 153 LYS HB3 H 1.76 0.02 1 846 153 153 LYS CA C 56.1 0.3 1 847 153 153 LYS CB C 30.4 0.3 1 848 153 153 LYS CG C 27.0 0.3 1 849 153 153 LYS CE C 43.1 0.3 1 850 154 154 LEU H H 8.39 0.02 1 851 154 154 LEU HA H 4.23 0.02 1 852 154 154 LEU HB2 H 1.57 0.02 1 853 154 154 LEU CA C 54.9 0.3 1 854 154 154 LEU CB C 41.9 0.3 1 855 154 154 LEU CG C 26.7 0.3 1 856 154 154 LEU CD1 C 24.5 0.3 1 857 154 154 LEU CD2 C 23.4 0.3 1 858 154 154 LEU N N 123.6 0.3 1 859 155 155 GLY H H 8.55 0.02 1 860 155 155 GLY HA2 H 3.89 0.02 1 861 155 155 GLY CA C 45.1 0.3 1 862 155 155 GLY N N 110.3 0.3 1 863 156 156 GLY H H 8.36 0.02 1 864 156 156 GLY HA2 H 3.87 0.02 1 865 156 156 GLY CA C 45.0 0.3 1 866 156 156 GLY N N 108.5 0.3 1 867 157 157 ARG H H 8.37 0.02 1 868 157 157 ARG HA H 4.23 0.02 1 869 157 157 ARG HB3 H 1.73 0.02 1 870 157 157 ARG CA C 56.1 0.3 1 871 157 157 ARG CB C 30.5 0.3 1 872 157 157 ARG CG C 27.0 0.3 1 873 157 157 ARG CD C 43.0 0.3 1 874 157 157 ARG N N 120.7 0.3 1 875 158 158 ASP H H 8.54 0.02 1 876 158 158 ASP HA H 4.27 0.02 1 877 158 158 ASP HB2 H 2.62 0.02 1 878 158 158 ASP CA C 54.1 0.3 1 879 158 158 ASP CB C 41.0 0.3 1 880 158 158 ASP N N 121.3 0.3 1 881 159 159 SER H H 8.31 0.02 1 882 159 159 SER HA H 4.29 0.02 1 883 159 159 SER HB2 H 3.81 0.02 1 884 159 159 SER CA C 58.6 0.3 1 885 159 159 SER CB C 63.4 0.3 1 886 159 159 SER N N 116.6 0.3 1 887 160 160 ARG H H 8.34 0.02 1 888 160 160 ARG HA H 4.22 0.02 1 889 160 160 ARG HB3 H 1.74 0.02 1 890 160 160 ARG CA C 55.9 0.3 1 891 160 160 ARG CB C 32.6 0.3 1 892 160 160 ARG CG C 24.4 0.3 1 893 160 160 ARG CD C 41.8 0.3 1 894 160 160 ARG N N 123.1 0.3 1 895 161 161 SER H H 8.48 0.02 1 896 161 161 SER HA H 4.30 0.02 1 897 161 161 SER HB2 H 3.76 0.02 1 898 161 161 SER CA C 58.1 0.3 1 899 161 161 SER CB C 63.6 0.3 1 900 161 161 SER N N 117.2 0.3 1 901 162 162 GLY H H 7.84 0.02 1 902 162 162 GLY HA2 H 3.91 0.02 1 903 162 162 GLY CA C 45.1 0.3 1 904 162 162 GLY N N 110.4 0.3 1 905 163 163 SER H H 8.45 0.02 1 906 163 163 SER CA C 58.3 0.3 1 907 163 163 SER CB C 63.9 0.3 1 908 163 163 SER N N 115.7 0.3 1 909 164 164 PRO HA H 4.50 0.02 1 910 164 164 PRO HB2 H 2.90 0.02 1 911 164 164 PRO CA C 63.6 0.3 1 912 164 164 PRO CB C 30.4 0.3 1 913 165 165 MET H H 8.28 0.02 1 914 165 165 MET HA H 4.27 0.02 1 915 165 165 MET HB2 H 1.99 0.02 1 916 165 165 MET CA C 56.0 0.3 1 917 165 165 MET CB C 32.4 0.3 1 918 165 165 MET N N 122.8 0.3 1 919 166 166 ALA H H 8.27 0.02 1 920 166 166 ALA HA H 3.85 0.02 1 921 166 166 ALA HB H 1.33 0.02 1 922 166 166 ALA CA C 52.7 0.3 1 923 166 166 ALA CB C 18.8 0.3 1 924 166 166 ALA N N 125.2 0.3 1 925 167 167 ARG H H 8.31 0.02 1 926 167 167 ARG HA H 4.25 0.02 1 927 167 167 ARG HB3 H 1.65 0.02 1 928 167 167 ARG CA C 56.0 0.3 1 929 167 167 ARG CB C 30.5 0.3 1 930 167 167 ARG CG C 24.5 0.3 1 931 167 167 ARG CD C 41.9 0.3 1 932 167 167 ARG N N 120.3 0.3 1 933 168 168 ARG H H 8.58 0.02 1 934 168 168 ARG HA H 4.23 0.02 1 935 168 168 ARG HB3 H 1.67 0.02 1 936 168 168 ARG CA C 55.9 0.3 1 937 168 168 ARG CB C 30.6 0.3 1 938 168 168 ARG CG C 26.9 0.3 1 939 168 168 ARG CD C 43.0 0.3 1 940 168 168 ARG N N 123.2 0.3 1 941 169 169 LEU H H 8.66 0.02 1 942 169 169 LEU CA C 54.2 0.3 1 943 169 169 LEU CB C 40.9 0.3 1 944 169 169 LEU N N 122.1 0.3 1 945 170 170 GLU HA H 4.25 0.02 1 946 170 170 GLU HB2 H 1.99 0.02 1 947 170 170 GLU CA C 55.5 0.3 1 948 170 170 GLU CB C 29.4 0.3 1 949 170 170 GLU CG C 33.4 0.3 1 950 171 171 HIS H H 8.56 0.02 1 951 171 171 HIS HA H 4.29 0.02 1 952 171 171 HIS HB3 H 2.94 0.02 1 953 171 171 HIS CA C 56.2 0.3 1 954 171 171 HIS CB C 30.4 0.3 1 955 171 171 HIS N N 123.1 0.3 1 956 172 172 HIS H H 8.29 0.02 1 957 172 172 HIS CA C 58.1 0.3 1 958 172 172 HIS CB C 32.3 0.3 1 959 172 172 HIS N N 122.8 0.3 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $xwinnmr stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D H(CCO)NH' '3D HBHA(CO)NH' stop_ loop_ _Sample_label $15N-MBP $15N_13C-MBP stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name MBP _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 2 2 SER H H 8.16 0.02 1 2 2 2 SER N N 113.8 0.3 1 3 5 5 ARG H H 8.20 0.02 1 4 5 5 ARG N N 123.1 0.3 1 5 7 7 SER H H 8.45 0.02 1 6 7 7 SER N N 116.2 0.3 1 7 10 10 SER H H 8.06 0.02 1 8 10 10 SER N N 115.7 0.3 1 9 11 11 LYS H H 8.34 0.02 1 10 11 11 LYS N N 123.5 0.3 1 11 12 12 TYR H H 8.09 0.02 1 12 12 12 TYR N N 120.5 0.3 1 13 13 13 LEU H H 7.99 0.02 1 14 13 13 LEU N N 123.9 0.3 1 15 14 14 ALA H H 8.20 0.02 1 16 14 14 ALA N N 125.0 0.3 1 17 15 15 THR H H 7.98 0.02 1 18 15 15 THR N N 112.6 0.3 1 19 16 16 ALA H H 8.28 0.02 1 20 16 16 ALA N N 126.0 0.3 1 21 17 17 SER H H 8.35 0.02 1 22 17 17 SER N N 114.9 0.3 1 23 18 18 THR H H 8.14 0.02 1 24 18 18 THR N N 115.4 0.3 1 25 19 19 MET H H 8.40 0.02 1 26 19 19 MET N N 123.6 0.3 1 27 20 20 ASP H H 8.25 0.02 1 28 20 20 ASP N N 120.5 0.3 1 29 21 21 HIS H H 8.35 0.02 1 30 21 21 HIS N N 121.3 0.3 1 31 22 22 ALA H H 8.14 0.02 1 32 22 22 ALA N N 123.7 0.3 1 33 23 23 ARG H H 8.13 0.02 1 34 23 23 ARG N N 119.2 0.3 1 35 24 24 HIS H H 8.50 0.02 1 36 24 24 HIS N N 122.0 0.3 1 37 25 25 GLY H H 8.25 0.02 1 38 25 25 GLY N N 110.0 0.3 1 39 26 26 PHE H H 8.11 0.02 1 40 26 26 PHE N N 121.6 0.3 1 41 29 29 ARG H H 8.31 0.02 1 42 29 29 ARG N N 119.5 0.3 1 43 30 30 HIS H H 8.44 0.02 1 44 30 30 HIS N N 123.8 0.3 1 45 32 32 ASP H H 8.31 0.02 1 46 32 32 ASP N N 121.3 0.3 1 47 33 33 THR H H 7.95 0.02 1 48 33 33 THR N N 115.2 0.3 1 49 34 34 GLY H H 8.54 0.02 1 50 34 34 GLY N N 111.1 0.3 1 51 35 35 ILE H H 7.85 0.02 1 52 35 35 ILE N N 119.6 0.3 1 53 36 36 LEU H H 8.28 0.02 1 54 36 36 LEU N N 125.1 0.3 1 55 38 38 SER H H 7.99 0.02 1 56 38 38 SER N N 116.8 0.3 1 57 39 39 ILE H H 7.87 0.02 1 58 39 39 ILE N N 121.2 0.3 1 59 40 40 GLY H H 8.39 0.02 1 60 40 40 GLY N N 110.7 0.3 1 61 41 41 ARG H H 8.27 0.02 1 62 41 41 ARG N N 120.7 0.3 1 63 42 42 PHE H H 8.27 0.02 1 64 42 42 PHE N N 122.0 0.3 1 65 43 43 PHE H H 8.18 0.02 1 66 43 43 PHE N N 125.4 0.3 1 67 44 44 SER H H 8.16 0.02 1 68 44 44 SER N N 117.8 0.3 1 69 45 45 GLY H H 8.55 0.02 1 70 45 45 GLY N N 111.1 0.3 1 71 46 46 ASP H H 8.18 0.02 1 72 46 46 ASP N N 119.8 0.3 1 73 47 47 ARG H H 8.41 0.02 1 74 47 47 ARG N N 123.6 0.3 1 75 48 48 GLY H H 8.37 0.02 1 76 48 48 GLY N N 109.3 0.3 1 77 49 49 ALA H H 8.02 0.02 1 78 49 49 ALA N N 124.6 0.3 1 79 51 51 LYS H H 8.47 0.02 1 80 51 51 LYS N N 120.7 0.3 1 81 52 52 ARG H H 8.44 0.02 1 82 52 52 ARG N N 123.4 0.3 1 83 53 53 GLY H H 8.50 0.02 1 84 53 53 GLY N N 109.9 0.3 1 85 54 54 SER H H 8.17 0.02 1 86 54 54 SER N N 116.7 0.3 1 87 55 55 GLY H H 8.38 0.02 1 88 55 55 GLY N N 110.7 0.3 1 89 56 56 LYS H H 8.15 0.02 1 90 56 56 LYS N N 123.6 0.3 1 91 57 57 ASP H H 8.25 0.02 1 92 57 57 ASP N N 121.3 0.3 1 93 58 58 SER H H 8.18 0.02 1 94 58 58 SER N N 115.5 0.3 1 95 59 59 HIS H H 8.41 0.02 1 96 59 59 HIS N N 122.4 0.3 1 97 60 60 THR H H 8.05 0.02 1 98 60 60 THR N N 115.1 0.3 1 99 61 61 ARG H H 8.52 0.02 1 100 61 61 ARG N N 121.7 0.3 1 101 62 62 THR H H 8.23 0.02 1 102 62 62 THR N N 115.5 0.3 1 103 63 63 THR H H 8.12 0.02 1 104 63 63 THR N N 116.4 0.3 1 105 65 65 TYR H H 8.15 0.02 1 106 65 65 TYR N N 121.8 0.3 1 107 66 66 GLY H H 8.45 0.02 1 108 66 66 GLY N N 111.1 0.3 1 109 67 67 SER H H 8.12 0.02 1 110 67 67 SER N N 115.5 0.3 1 111 68 68 LEU H H 8.26 0.02 1 112 68 68 LEU N N 124.8 0.3 1 113 71 71 LYS H H 8.18 0.02 1 114 71 71 LYS N N 119.5 0.3 1 115 72 72 SER H H 8.24 0.02 1 116 72 72 SER N N 116.0 0.3 1 117 73 73 GLN H H 8.38 0.02 1 118 73 73 GLN N N 121.6 0.3 1 119 74 74 HIS H H 8.40 0.02 1 120 74 74 HIS N N 122.0 0.3 1 121 75 75 GLY H H 8.38 0.02 1 122 75 75 GLY N N 110.1 0.3 1 123 76 76 ARG H H 8.04 0.02 1 124 76 76 ARG N N 120.0 0.3 1 125 77 77 THR H H 8.32 0.02 1 126 77 77 THR N N 115.6 0.3 1 127 78 78 GLN H H 8.44 0.02 1 128 78 78 GLN N N 121.8 0.3 1 129 79 79 ASP H H 8.33 0.02 1 130 79 79 ASP N N 119.4 0.3 1 131 80 80 GLU H H 8.26 0.02 1 132 80 80 GLU N N 120.4 0.3 1 133 81 81 ASN H H 8.50 0.02 1 134 81 81 ASN N N 121.1 0.3 1 135 84 84 VAL H H 7.86 0.02 1 136 84 84 VAL N N 123.2 0.3 1 137 85 85 HIS H H 8.37 0.02 1 138 85 85 HIS N N 122.1 0.3 1 139 86 86 PHE H H 8.04 0.02 1 140 86 86 PHE N N 121.2 0.3 1 141 88 88 LYS H H 8.36 0.02 1 142 88 88 LYS N N 123.8 0.3 1 143 89 89 ASN H H 8.33 0.02 1 144 89 89 ASN N N 120.3 0.3 1 145 90 90 ILE H H 8.12 0.02 1 146 90 90 ILE N N 119.4 0.3 1 147 94 94 ARG H H 8.36 0.02 1 148 94 94 ARG N N 120.4 0.3 1 149 95 95 THR H H 8.18 0.02 1 150 95 95 THR N N 117.9 0.3 1 151 99 99 SER H H 8.37 0.02 1 152 99 99 SER N N 115.6 0.3 1 153 100 100 GLN H H 8.06 0.02 1 154 100 100 GLN N N 122.8 0.3 1 155 101 101 GLY H H 8.32 0.02 1 156 101 101 GLY N N 109.2 0.3 1 157 102 102 LYS H H 8.22 0.02 1 158 102 102 LYS N N 121.1 0.3 1 159 103 103 GLY H H 8.39 0.02 1 160 103 103 GLY N N 109.5 0.3 1 161 104 104 ARG H H 8.15 0.02 1 162 104 104 ARG N N 120.3 0.3 1 163 107 107 SER H H 8.22 0.02 1 164 107 107 SER N N 116.0 0.3 1 165 108 108 LEU H H 8.26 0.02 1 166 108 108 LEU N N 121.6 0.3 1 167 109 109 SER H H 8.25 0.02 1 168 109 109 SER N N 116.0 0.3 1 169 110 110 ARG H H 8.19 0.02 1 170 110 110 ARG N N 122.8 0.3 1 171 111 111 PHE H H 8.20 0.02 1 172 111 111 PHE N N 120.4 0.3 1 173 112 112 SER H H 8.32 0.02 1 174 112 112 SER N N 117.1 0.3 1 175 115 115 ALA H H 8.13 0.02 1 176 115 115 ALA N N 123.8 0.3 1 177 116 116 GLU H H 8.35 0.02 1 178 116 116 GLU N N 117.8 0.3 1 179 117 117 GLY H H 8.30 0.02 1 180 117 117 GLY N N 109.2 0.3 1 181 118 118 GLN H H 8.07 0.02 1 182 118 118 GLN N N 119.4 0.3 1 183 119 119 ARG H H 8.27 0.02 1 184 119 119 ARG N N 123.6 0.3 1 185 121 121 GLY H H 8.41 0.02 1 186 121 121 GLY N N 109.2 0.3 1 187 122 122 PHE H H 8.08 0.02 1 188 122 122 PHE N N 120.2 0.3 1 189 123 123 GLY H H 8.29 0.02 1 190 123 123 GLY N N 110.4 0.3 1 191 124 124 TYR H H 8.05 0.02 1 192 124 124 TYR N N 120.2 0.3 1 193 125 125 GLY H H 8.30 0.02 1 194 125 125 GLY N N 110.4 0.3 1 195 126 126 GLY H H 7.93 0.02 1 196 126 126 GLY N N 108.3 0.3 1 197 127 127 ARG H H 8.32 0.02 1 198 127 127 ARG N N 120.8 0.3 1 199 128 128 ALA H H 8.47 0.02 1 200 128 128 ALA N N 125.4 0.3 1 201 129 129 SER H H 8.23 0.02 1 202 129 129 SER N N 113.8 0.3 1 203 130 130 ASP H H 8.14 0.02 1 204 130 130 ASP N N 121.7 0.3 1 205 131 131 TYR H H 8.01 0.02 1 206 131 131 TYR N N 120.5 0.3 1 207 132 132 LYS H H 8.08 0.02 1 208 132 132 LYS N N 122.1 0.3 1 209 133 133 SER H H 8.33 0.02 1 210 133 133 SER N N 116.9 0.3 1 211 134 134 ALA H H 8.16 0.02 1 212 134 134 ALA N N 125.1 0.3 1 213 136 136 LYS H H 8.03 0.02 1 214 136 136 LYS N N 125.5 0.3 1 215 138 138 PHE H H 8.10 0.02 1 216 138 138 PHE N N 119.8 0.3 1 217 140 140 GLY H H 7.86 0.02 1 218 140 140 GLY N N 109.4 0.3 1 219 141 141 ALA H H 8.08 0.02 1 220 141 141 ALA N N 123.4 0.3 1 221 142 142 TYR H H 8.17 0.02 1 222 142 142 TYR N N 119.0 0.3 1 223 143 143 ASP H H 8.13 0.02 1 224 143 143 ASP N N 122.5 0.3 1 225 144 144 ALA H H 8.22 0.02 1 226 144 144 ALA N N 124.7 0.3 1 227 145 145 GLN H H 8.52 0.02 1 228 145 145 GLN N N 119.5 0.3 1 229 146 146 GLY H H 8.48 0.02 1 230 146 146 GLY N N 109.7 0.3 1 231 147 147 THR H H 8.10 0.02 1 232 147 147 THR N N 115.0 0.3 1 233 148 148 LEU H H 8.32 0.02 1 234 148 148 LEU N N 123.8 0.3 1 235 149 149 SER H H 8.34 0.02 1 236 149 149 SER N N 116.5 0.3 1 237 150 150 LYS H H 8.39 0.02 1 238 150 150 LYS N N 120.9 0.3 1 239 151 151 ILE H H 7.86 0.02 1 240 151 151 ILE N N 119.8 0.3 1 241 152 152 PHE H H 8.30 0.02 1 242 152 152 PHE N N 124.0 0.3 1 243 153 153 LYS H H 8.09 0.02 1 244 153 153 LYS N N 122.7 0.3 1 245 154 154 LEU H H 8.28 0.02 1 246 154 154 LEU N N 123.3 0.3 1 247 155 155 GLY H H 8.41 0.02 1 248 155 155 GLY N N 109.8 0.3 1 249 156 156 GLY H H 8.27 0.02 1 250 156 156 GLY N N 108.4 0.3 1 251 157 157 ARG H H 8.24 0.02 1 252 157 157 ARG N N 120.6 0.3 1 253 158 158 ASP H H 8.44 0.02 1 254 158 158 ASP N N 121.1 0.3 1 255 159 159 SER H H 8.32 0.02 1 256 159 159 SER N N 116.8 0.3 1 257 160 160 ARG H H 8.24 0.02 1 258 160 160 ARG N N 122.4 0.3 1 259 161 161 SER H H 8.34 0.02 1 260 161 161 SER N N 116.8 0.3 1 261 162 162 GLY H H 7.94 0.02 1 262 162 162 GLY N N 110.2 0.3 1 263 163 163 SER H H 8.34 0.02 1 264 163 163 SER N N 115.5 0.3 1 265 165 165 MET H H 8.18 0.02 1 266 165 165 MET N N 122.2 0.3 1 267 166 166 ALA H H 8.14 0.02 1 268 166 166 ALA N N 124.6 0.3 1 269 167 167 ARG H H 8.14 0.02 1 270 167 167 ARG N N 119.5 0.3 1 271 168 168 ARG H H 8.44 0.02 1 272 168 168 ARG N N 122.7 0.3 1 273 171 171 HIS H H 8.40 0.02 1 274 171 171 HIS N N 122.4 0.3 1 stop_ save_