data_7358 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the golli myelin basic protein isoform BG21 ; _BMRB_accession_number 7358 _BMRB_flat_file_name bmr7358.str _Entry_type original _Submission_date 2007-01-10 _Accession_date 2007-01-10 _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 Ahmed Mumdooh 'A. M.' . 2 Bamm Vladimir V. . 3 Harauz George . . 4 Ladizhansky Vladimir . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 353 "13C chemical shifts" 546 "15N chemical shifts" 192 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-10-05 update author 'update entry citation' 2007-03-06 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The BG21 Isoform of Golli Myelin Basic Protein Is Intrinsically Disordered with a Highly Flexible Amino-Terminal Domain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17676872 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ahmed Mumdooh 'A. M.' . 2 Bamm Vladimir V. . 3 Harauz George . . 4 Ladizhansky Vladimir . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 46 _Journal_issue 34 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9700 _Page_last 9712 _Year 2007 _Details . loop_ _Keyword 'chemical shift indexing' 'genes of oligodendrocyte lineage (Golli)' 'heteronuclear single quantum coherence (HSQC)' 'intrinsically disordered protein' 'myelin basic protein (MBP)' relaxation 'solution NMR' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name rmBG21 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label rmBG21 $rmBG21 stop_ _System_molecular_weight 21611.5430 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_rmBG21 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'recombinant murin BG21 isoform of golli myelin basic protein' _Molecular_mass 21611.5430 _Mol_thiol_state 'not present' loop_ _Biological_function 'inhibit protein kinase C activation pathways in T and probably also neuronal cell' 'involved in suppression of a T cell activation pathway' 'might have roles in myelin elaboration in the central nervous system during development and in remyelination attempts' 'participate in controlling Ca2+ influx in T cells' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 199 _Mol_residue_sequence ; GNHSGKRELSAEKASKDGEI HRGEAGKKRSVGKLSQTASE DSDVFGEADAIQNNGTSAED TAVTDSKHTADPKNNWQGAH PADPGNRPHLIRLFSRDAPG REDNTFKDRPSESDELQTIQ EDPTAASGGLDVMASQKRPS QRSKYLATASTMDHARHGFL PRHRDTGILDSIGRFFSGDR GAPKRGSGKVSLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ASN 3 HIS 4 SER 5 GLY 6 LYS 7 ARG 8 GLU 9 LEU 10 SER 11 ALA 12 GLU 13 LYS 14 ALA 15 SER 16 LYS 17 ASP 18 GLY 19 GLU 20 ILE 21 HIS 22 ARG 23 GLY 24 GLU 25 ALA 26 GLY 27 LYS 28 LYS 29 ARG 30 SER 31 VAL 32 GLY 33 LYS 34 LEU 35 SER 36 GLN 37 THR 38 ALA 39 SER 40 GLU 41 ASP 42 SER 43 ASP 44 VAL 45 PHE 46 GLY 47 GLU 48 ALA 49 ASP 50 ALA 51 ILE 52 GLN 53 ASN 54 ASN 55 GLY 56 THR 57 SER 58 ALA 59 GLU 60 ASP 61 THR 62 ALA 63 VAL 64 THR 65 ASP 66 SER 67 LYS 68 HIS 69 THR 70 ALA 71 ASP 72 PRO 73 LYS 74 ASN 75 ASN 76 TRP 77 GLN 78 GLY 79 ALA 80 HIS 81 PRO 82 ALA 83 ASP 84 PRO 85 GLY 86 ASN 87 ARG 88 PRO 89 HIS 90 LEU 91 ILE 92 ARG 93 LEU 94 PHE 95 SER 96 ARG 97 ASP 98 ALA 99 PRO 100 GLY 101 ARG 102 GLU 103 ASP 104 ASN 105 THR 106 PHE 107 LYS 108 ASP 109 ARG 110 PRO 111 SER 112 GLU 113 SER 114 ASP 115 GLU 116 LEU 117 GLN 118 THR 119 ILE 120 GLN 121 GLU 122 ASP 123 PRO 124 THR 125 ALA 126 ALA 127 SER 128 GLY 129 GLY 130 LEU 131 ASP 132 VAL 133 MET 134 ALA 135 SER 136 GLN 137 LYS 138 ARG 139 PRO 140 SER 141 GLN 142 ARG 143 SER 144 LYS 145 TYR 146 LEU 147 ALA 148 THR 149 ALA 150 SER 151 THR 152 MET 153 ASP 154 HIS 155 ALA 156 ARG 157 HIS 158 GLY 159 PHE 160 LEU 161 PRO 162 ARG 163 HIS 164 ARG 165 ASP 166 THR 167 GLY 168 ILE 169 LEU 170 ASP 171 SER 172 ILE 173 GLY 174 ARG 175 PHE 176 PHE 177 SER 178 GLY 179 ASP 180 ARG 181 GLY 182 ALA 183 PRO 184 LYS 185 ARG 186 GLY 187 SER 188 GLY 189 LYS 190 VAL 191 SER 192 LEU 193 GLU 194 HIS 195 HIS 196 HIS 197 HIS 198 HIS 199 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-02 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 DBJ BAC30679 "unnamed protein product [Mus musculus]" 96.98 195 99.48 99.48 9.98e-135 EMBL CAA47733 "myelin basic protein [Mus musculus]" 96.98 195 99.48 99.48 9.98e-135 GB AAA37721 "alternate [Mus musculus]" 96.98 195 99.48 99.48 9.98e-135 GB AAH51094 "Myelin basic protein [Mus musculus]" 96.98 195 99.48 99.48 9.98e-135 GB EDL09382 "myelin basic protein, isoform CRA_a [Mus musculus]" 95.48 287 100.00 100.00 8.81e-132 GB EDL09383 "myelin basic protein, isoform CRA_b [Mus musculus]" 96.98 195 99.48 99.48 9.98e-135 GB EDL09386 "myelin basic protein, isoform CRA_e [Mus musculus]" 95.48 317 100.00 100.00 2.49e-131 REF NP_001020416 "Golli-Mbp isoform 2 [Mus musculus]" 96.98 195 99.48 99.48 9.98e-135 REF XP_006526515 "PREDICTED: Golli-Mbp isoform X1 [Mus musculus]" 95.48 350 100.00 100.00 6.75e-131 REF XP_006526516 "PREDICTED: Golli-Mbp isoform X2 [Mus musculus]" 95.48 328 100.00 100.00 2.94e-131 REF XP_006526518 "PREDICTED: Golli-Mbp isoform X4 [Mus musculus]" 95.48 309 100.00 100.00 2.28e-131 REF XP_006526520 "PREDICTED: Golli-Mbp isoform X6 [Mus musculus]" 95.48 287 100.00 100.00 8.81e-132 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $rmBG21 'house 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 _Vector_name _Vendor_name $rmBG21 'recombinant technology' 'Escherichia coli' Escherichia coli BL21-CodonPlus(DE3)-RP pet22b= Stratagene 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 $rmBG21 1 mM '[U-100% 13C; U-100% 15N]' 'Potassium Chloride' 100 mM . 'Sodium Azide' 0.005 % . stop_ 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_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label $sample_1 save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label $sample_1 save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HACAN_6 _Saveframe_category NMR_applied_experiment _Experiment_name HACAN _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 . pH temperature 280 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 1H15N_HSQC HNCACB CBCA(CO)NH HN(CA)CO HNCO HACAN stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name rmBG21 _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 GLY H H 8.45 0.01 1 2 1 1 GLY C C 173.8 0.1 1 3 1 1 GLY CA C 44.8 0.1 1 4 1 1 GLY N N 111.2 0.1 1 5 2 2 ASN H H 8.25 0.01 5 6 2 2 ASN HA H 4.55 0.01 5 7 2 2 ASN C C 174.8 0.1 5 8 2 2 ASN CA C 53.0 0.1 5 9 2 2 ASN CB C 38.5 0.1 5 10 2 2 ASN N N 119.1 0.1 5 11 3 3 HIS H H 8.15 0.01 1 12 3 3 HIS HA H 4.52 0.01 1 13 3 3 HIS C C 174.9 0.1 1 14 3 3 HIS CA C 55.7 0.1 1 15 3 3 HIS CB C 29.5 0.1 1 16 3 3 HIS N N 119.9 0.1 1 17 4 4 SER H H 8.26 0.01 1 18 4 4 SER HA H 4.25 0.01 1 19 4 4 SER C C 174.9 0.1 1 20 4 4 SER CA C 58.5 0.1 1 21 4 4 SER CB C 63.5 0.1 1 22 4 4 SER N N 117.9 0.1 1 23 5 5 GLY H H 8.42 0.01 5 24 5 5 GLY C C 173.8 0.1 5 25 5 5 GLY CA C 45.1 0.1 5 26 5 5 GLY N N 111.8 0.1 5 27 6 6 LYS H H 8.06 0.01 5 28 6 6 LYS HA H 4.14 0.01 5 29 6 6 LYS C C 176.6 0.1 5 30 6 6 LYS CA C 56.1 0.1 5 31 6 6 LYS CB C 33.0 0.1 5 32 6 6 LYS N N 121.7 0.1 5 33 7 7 ARG H H 8.36 0.01 1 34 7 7 ARG HA H 4.11 0.01 1 35 7 7 ARG C C 176.1 0.1 1 36 7 7 ARG CA C 56.1 0.1 1 37 7 7 ARG CB C 30.6 0.1 1 38 7 7 ARG N N 123.7 0.1 1 39 8 8 GLU H H 8.45 0.01 1 40 8 8 GLU HA H 4.11 0.01 1 41 8 8 GLU C C 176.4 0.1 1 42 8 8 GLU CA C 56.2 0.1 1 43 8 8 GLU CB C 30.1 0.1 1 44 8 8 GLU N N 123.5 0.1 1 45 9 9 LEU H H 8.29 0.01 1 46 9 9 LEU HA H 4.16 0.01 1 47 9 9 LEU C C 177.5 0.1 1 48 9 9 LEU CA C 55.3 0.1 1 49 9 9 LEU CB C 42.2 0.1 1 50 9 9 LEU N N 124.5 0.1 1 51 10 10 SER H H 8.23 0.01 1 52 10 10 SER HA H 4.20 0.01 1 53 10 10 SER C C 174.5 0.1 1 54 10 10 SER CA C 58.4 0.1 1 55 10 10 SER CB C 63.4 0.1 1 56 10 10 SER N N 117.2 0.1 1 57 11 11 ALA H H 8.26 0.01 1 58 11 11 ALA HA H 4.12 0.01 1 59 11 11 ALA C C 178.0 0.1 1 60 11 11 ALA CA C 52.7 0.1 1 61 11 11 ALA CB C 18.9 0.1 1 62 11 11 ALA N N 126.7 0.1 1 63 12 12 GLU H H 8.20 0.01 1 64 12 12 GLU HA H 4.02 0.01 1 65 12 12 GLU C C 176.8 0.1 1 66 12 12 GLU CA C 56.8 0.1 1 67 12 12 GLU CB C 29.9 0.1 1 68 12 12 GLU N N 120.5 0.1 1 69 13 13 LYS H H 8.15 0.01 1 70 13 13 LYS HA H 4.08 0.01 1 71 13 13 LYS C C 176.4 0.1 1 72 13 13 LYS CA C 56.4 0.1 1 73 13 13 LYS CB C 32.7 0.1 1 74 13 13 LYS N N 122.8 0.1 1 75 14 14 ALA H H 8.18 0.01 1 76 14 14 ALA HA H 4.13 0.01 1 77 14 14 ALA C C 177.9 0.1 1 78 14 14 ALA CA C 52.6 0.1 1 79 14 14 ALA CB C 19.0 0.1 1 80 14 14 ALA N N 125.3 0.1 1 81 15 15 SER H H 8.16 0.01 1 82 15 15 SER HA H 4.23 0.01 1 83 15 15 SER C C 175.0 0.1 1 84 15 15 SER CA C 58.3 0.1 1 85 15 15 SER CB C 63.6 0.1 1 86 15 15 SER N N 115.9 0.1 1 87 16 16 LYS H H 8.32 0.01 1 88 16 16 LYS HA H 4.14 0.01 1 89 16 16 LYS C C 176.6 0.1 1 90 16 16 LYS CA C 56.4 0.1 1 91 16 16 LYS CB C 32.6 0.1 1 92 16 16 LYS N N 124.1 0.1 1 93 17 17 ASP H H 8.21 0.01 1 94 17 17 ASP HA H 4.38 0.01 1 95 17 17 ASP C C 176.8 0.1 1 96 17 17 ASP CA C 54.8 0.1 1 97 17 17 ASP CB C 40.9 0.1 1 98 17 17 ASP N N 121.4 0.1 1 99 18 18 GLY H H 8.18 0.01 1 100 18 18 GLY C C 174.2 0.1 1 101 18 18 GLY CA C 45.3 0.1 1 102 18 18 GLY N N 109.6 0.1 1 103 19 19 GLU H H 7.98 0.01 1 104 19 19 GLU HA H 4.07 0.01 1 105 19 19 GLU C C 176.6 0.1 1 106 19 19 GLU CA C 56.4 0.1 1 107 19 19 GLU CB C 30.2 0.1 1 108 19 19 GLU N N 121.1 0.1 1 109 20 20 ILE H H 8.02 0.01 1 110 20 20 ILE HA H 3.88 0.01 1 111 20 20 ILE C C 176.1 0.1 1 112 20 20 ILE CA C 61.3 0.1 1 113 20 20 ILE CB C 38.4 0.1 1 114 20 20 ILE N N 122.2 0.1 1 115 21 21 HIS H H 8.42 0.01 1 116 21 21 HIS HA H 4.51 0.01 1 117 21 21 HIS C C 174.9 0.1 1 118 21 21 HIS CA C 55.5 0.1 1 119 21 21 HIS CB C 29.5 0.1 1 120 21 21 HIS N N 123.8 0.1 1 121 22 22 ARG H H 8.28 0.01 1 122 22 22 ARG HA H 4.15 0.01 1 123 22 22 ARG C C 176.7 0.1 1 124 22 22 ARG CA C 56.4 0.1 1 125 22 22 ARG CB C 30.6 0.1 1 126 22 22 ARG N N 123.7 0.1 1 127 23 23 GLY H H 8.36 0.01 1 128 23 23 GLY C C 174.2 0.1 1 129 23 23 GLY CA C 45.2 0.1 1 130 23 23 GLY N N 110.7 0.1 1 131 24 24 GLU H H 8.21 0.01 5 132 24 24 GLU HA H 4.40 0.01 5 133 24 24 GLU C C 176.6 0.1 5 134 24 24 GLU CA C 56.4 0.1 5 135 24 24 GLU CB C 30.2 0.1 5 136 24 24 GLU N N 121.4 0.1 5 137 25 25 ALA H H 8.33 0.01 1 138 25 25 ALA HA H 4.09 0.01 1 139 25 25 ALA C C 178.4 0.1 1 140 25 25 ALA CA C 52.9 0.1 1 141 25 25 ALA CB C 18.9 0.1 1 142 25 25 ALA N N 125.5 0.1 1 143 26 26 GLY H H 8.26 0.01 1 144 26 26 GLY C C 174.1 0.1 1 145 26 26 GLY CA C 45.2 0.1 1 146 26 26 GLY N N 108.4 0.1 1 147 27 27 LYS H H 7.89 0.01 1 148 27 27 LYS HA H 4.11 0.01 1 149 27 27 LYS C C 176.6 0.1 1 150 27 27 LYS CA C 56.1 0.1 1 151 27 27 LYS CB C 32.9 0.1 1 152 27 27 LYS N N 121.4 0.1 1 153 28 28 LYS H H 8.24 0.01 1 154 28 28 LYS HA H 4.11 0.01 1 155 28 28 LYS C C 176.5 0.1 1 156 28 28 LYS CA C 56.2 0.1 1 157 28 28 LYS CB C 32.9 0.1 1 158 28 28 LYS N N 123.4 0.1 1 159 29 29 ARG H H 8.33 0.01 1 160 29 29 ARG HA H 4.14 0.01 1 161 29 29 ARG C C 176.2 0.1 1 162 29 29 ARG CA C 56.1 0.1 1 163 29 29 ARG CB C 30.7 0.1 1 164 29 29 ARG N N 123.7 0.1 1 165 30 30 SER H H 8.35 0.01 1 166 30 30 SER HA H 4.31 0.01 1 167 30 30 SER C C 174.3 0.1 1 168 30 30 SER CA C 58.0 0.1 1 169 30 30 SER CB C 63.5 0.1 1 170 30 30 SER N N 118.6 0.1 1 171 31 31 VAL H H 8.14 0.01 1 172 31 31 VAL HA H 4.00 0.01 1 173 31 31 VAL C C 176.5 0.1 1 174 31 31 VAL CA C 62.2 0.1 1 175 31 31 VAL CB C 32.6 0.1 1 176 31 31 VAL N N 122.2 0.1 1 177 32 32 GLY H H 8.34 0.01 1 178 32 32 GLY C C 173.8 0.1 1 179 32 32 GLY CA C 44.9 0.1 1 180 32 32 GLY N N 112.9 0.1 1 181 33 33 LYS H H 8.14 0.01 1 182 33 33 LYS HA H 4.12 0.01 1 183 33 33 LYS C C 176.7 0.1 1 184 33 33 LYS CA C 56.2 0.1 1 185 33 33 LYS CB C 33.0 0.1 1 186 33 33 LYS N N 121.8 0.1 1 187 34 34 LEU H H 8.28 0.01 1 188 34 34 LEU HA H 4.18 0.01 1 189 34 34 LEU C C 177.4 0.1 1 190 34 34 LEU CA C 55.1 0.1 1 191 34 34 LEU CB C 42.0 0.1 1 192 34 34 LEU N N 124.0 0.1 1 193 35 35 SER H H 8.18 0.01 1 194 35 35 SER HA H 4.24 0.01 1 195 35 35 SER C C 174.4 0.1 1 196 35 35 SER CA C 58.2 0.1 1 197 35 35 SER CB C 63.4 0.1 1 198 35 35 SER N N 117.0 0.1 1 199 36 36 GLN H H 8.37 0.01 1 200 36 36 GLN HA H 4.23 0.01 1 201 36 36 GLN C C 176.0 0.1 1 202 36 36 GLN CA C 55.9 0.1 1 203 36 36 GLN CB C 29.4 0.1 1 204 36 36 GLN N N 122.8 0.1 1 205 37 37 THR H H 8.08 0.01 1 206 37 37 THR HA H 4.14 0.01 1 207 37 37 THR C C 174.2 0.1 1 208 37 37 THR CA C 61.7 0.1 1 209 37 37 THR CB C 69.6 0.1 1 210 37 37 THR N N 115.7 0.1 1 211 38 38 ALA H H 8.27 0.01 1 212 38 38 ALA HA H 4.18 0.01 1 213 38 38 ALA C C 177.7 0.1 1 214 38 38 ALA CA C 52.5 0.1 1 215 38 38 ALA CB C 19.1 0.1 1 216 38 38 ALA N N 127.2 0.1 1 217 39 39 SER H H 8.24 0.01 1 218 39 39 SER HA H 4.23 0.01 1 219 39 39 SER C C 174.7 0.1 1 220 39 39 SER CA C 58.3 0.1 1 221 39 39 SER CB C 63.6 0.1 1 222 39 39 SER N N 116.0 0.1 1 223 40 40 GLU H H 8.41 0.01 1 224 40 40 GLU HA H 4.11 0.01 1 225 40 40 GLU C C 176.2 0.1 1 226 40 40 GLU CA C 56.6 0.1 1 227 40 40 GLU CB C 30.0 0.1 1 228 40 40 GLU N N 123.2 0.1 1 229 41 41 ASP H H 8.20 0.01 1 230 41 41 ASP HA H 4.44 0.01 1 231 41 41 ASP C C 176.1 0.1 1 232 41 41 ASP CA C 54.3 0.1 1 233 41 41 ASP CB C 40.9 0.1 1 234 41 41 ASP N N 121.5 0.1 1 235 42 42 SER H H 8.05 0.01 1 236 42 42 SER HA H 4.22 0.01 1 237 42 42 SER C C 174.2 0.1 1 238 42 42 SER CA C 58.5 0.1 1 239 42 42 SER CB C 63.8 0.1 1 240 42 42 SER N N 116.4 0.1 1 241 43 43 ASP H H 8.28 0.01 1 242 43 43 ASP HA H 4.44 0.01 1 243 43 43 ASP C C 176.1 0.1 1 244 43 43 ASP CA C 54.2 0.1 1 245 43 43 ASP CB C 40.9 0.1 1 246 43 43 ASP N N 123.3 0.1 1 247 44 44 VAL H H 7.79 0.01 1 248 44 44 VAL HA H 3.84 0.01 1 249 44 44 VAL C C 175.9 0.1 1 250 44 44 VAL CA C 62.3 0.1 1 251 44 44 VAL CB C 32.4 0.1 1 252 44 44 VAL N N 120.1 0.1 1 253 45 45 PHE H H 8.20 0.01 1 254 45 45 PHE HA H 4.46 0.01 1 255 45 45 PHE C C 176.2 0.1 1 256 45 45 PHE CA C 57.7 0.1 1 257 45 45 PHE CB C 39.4 0.1 1 258 45 45 PHE N N 123.9 0.1 1 259 46 46 GLY H H 8.16 0.01 1 260 46 46 GLY C C 173.9 0.1 1 261 46 46 GLY CA C 45.1 0.1 1 262 46 46 GLY N N 111.3 0.1 1 263 47 47 GLU H H 8.16 0.01 5 264 47 47 GLU HA H 4.04 0.01 5 265 47 47 GLU C C 176.6 0.1 5 266 47 47 GLU CA C 56.4 0.1 5 267 47 47 GLU CB C 30.2 0.1 5 268 47 47 GLU N N 121.3 0.1 5 269 48 48 ALA H H 8.32 0.01 1 270 48 48 ALA HA H 4.07 0.01 1 271 48 48 ALA C C 177.7 0.1 1 272 48 48 ALA CA C 52.8 0.1 1 273 48 48 ALA CB C 18.9 0.1 1 274 48 48 ALA N N 125.2 0.1 1 275 49 49 ASP H H 8.13 0.01 1 276 49 49 ASP HA H 4.34 0.01 1 277 49 49 ASP C C 176.0 0.1 1 278 49 49 ASP CA C 54.3 0.1 1 279 49 49 ASP CB C 40.8 0.1 1 280 49 49 ASP N N 119.7 0.1 1 281 50 50 ALA H H 7.95 0.01 1 282 50 50 ALA HA H 4.09 0.01 1 283 50 50 ALA C C 177.8 0.1 1 284 50 50 ALA CA C 52.6 0.1 1 285 50 50 ALA CB C 19.0 0.1 1 286 50 50 ALA N N 124.4 0.1 1 287 51 51 ILE H H 7.99 0.01 1 288 51 51 ILE HA H 3.89 0.01 1 289 51 51 ILE C C 176.5 0.1 1 290 51 51 ILE CA C 61.3 0.1 1 291 51 51 ILE CB C 38.3 0.1 1 292 51 51 ILE N N 120.7 0.1 1 293 52 52 GLN H H 8.31 0.01 1 294 52 52 GLN HA H 4.12 0.01 1 295 52 52 GLN C C 175.6 0.1 1 296 52 52 GLN CA C 55.6 0.1 1 297 52 52 GLN CB C 29.2 0.1 1 298 52 52 GLN N N 124.6 0.1 1 299 53 53 ASN H H 8.40 0.01 1 300 53 53 ASN HA H 4.54 0.01 1 301 53 53 ASN C C 174.9 0.1 1 302 53 53 ASN CA C 53.1 0.1 1 303 53 53 ASN CB C 38.7 0.1 1 304 53 53 ASN N N 120.8 0.1 1 305 54 54 ASN H H 8.39 0.01 1 306 54 54 ASN HA H 4.55 0.01 1 307 54 54 ASN C C 175.7 0.1 1 308 54 54 ASN CA C 53.2 0.1 1 309 54 54 ASN CB C 38.8 0.1 1 310 54 54 ASN N N 120.3 0.1 1 311 55 55 GLY H H 8.32 0.01 1 312 55 55 GLY C C 174.3 0.1 1 313 55 55 GLY CA C 45.4 0.1 1 314 55 55 GLY N N 109.6 0.1 1 315 56 56 THR H H 7.97 0.01 1 316 56 56 THR HA H 4.25 0.01 1 317 56 56 THR C C 174.6 0.1 1 318 56 56 THR CA C 61.6 0.1 1 319 56 56 THR CB C 69.9 0.1 1 320 56 56 THR N N 114.0 0.1 1 321 57 57 SER H H 8.38 0.01 1 322 57 57 SER HA H 4.31 0.01 1 323 57 57 SER C C 174.4 0.1 1 324 57 57 SER CA C 58.1 0.1 1 325 57 57 SER CB C 63.9 0.1 1 326 57 57 SER N N 119.2 0.1 1 327 58 58 ALA H H 8.39 0.01 1 328 58 58 ALA HA H 4.12 0.01 1 329 58 58 ALA C C 177.8 0.1 1 330 58 58 ALA CA C 52.7 0.1 1 331 58 58 ALA CB C 19.0 0.1 1 332 58 58 ALA N N 126.9 0.1 1 333 59 59 GLU H H 8.26 0.01 1 334 59 59 GLU HA H 4.04 0.01 1 335 59 59 GLU C C 176.3 0.1 1 336 59 59 GLU CA C 56.6 0.1 1 337 59 59 GLU CB C 30.1 0.1 1 338 59 59 GLU N N 120.0 0.1 1 339 60 60 ASP H H 8.19 0.01 1 340 60 60 ASP HA H 4.46 0.01 1 341 60 60 ASP C C 176.6 0.1 1 342 60 60 ASP CA C 54.4 0.1 1 343 60 60 ASP CB C 41.0 0.1 1 344 60 60 ASP N N 122.1 0.1 1 345 61 61 THR H H 7.95 0.01 1 346 61 61 THR HA H 4.10 0.01 1 347 61 61 THR C C 174.4 0.1 1 348 61 61 THR CA C 62.0 0.1 1 349 61 61 THR CB C 69.4 0.1 1 350 61 61 THR N N 115.3 0.1 1 351 62 62 ALA H H 8.15 0.01 1 352 62 62 ALA HA H 4.15 0.01 1 353 62 62 ALA C C 178.0 0.1 1 354 62 62 ALA CA C 52.7 0.1 1 355 62 62 ALA CB C 18.9 0.1 1 356 62 62 ALA N N 126.9 0.1 1 357 63 63 VAL H H 8.00 0.01 1 358 63 63 VAL HA H 3.93 0.01 1 359 63 63 VAL C C 176.6 0.1 1 360 63 63 VAL CA C 62.5 0.1 1 361 63 63 VAL CB C 32.4 0.1 1 362 63 63 VAL N N 120.0 0.1 1 363 64 64 THR H H 8.07 0.01 1 364 64 64 THR HA H 4.14 0.01 1 365 64 64 THR C C 174.2 0.1 1 366 64 64 THR CA C 61.9 0.1 1 367 64 64 THR CB C 69.5 0.1 1 368 64 64 THR N N 118.2 0.1 1 369 65 65 ASP H H 8.26 0.01 1 370 65 65 ASP HA H 4.45 0.01 1 371 65 65 ASP C C 176.4 0.1 1 372 65 65 ASP CA C 54.2 0.1 1 373 65 65 ASP CB C 41.1 0.1 1 374 65 65 ASP N N 123.6 0.1 1 375 66 66 SER H H 8.20 0.01 1 376 66 66 SER HA H 4.18 0.01 1 377 66 66 SER C C 174.8 0.1 1 378 66 66 SER CA C 58.8 0.1 1 379 66 66 SER CB C 63.4 0.1 1 380 66 66 SER N N 117.5 0.1 1 381 67 67 LYS H H 8.16 0.01 1 382 67 67 LYS HA H 4.07 0.01 1 383 67 67 LYS C C 176.4 0.1 1 384 67 67 LYS CA C 56.4 0.1 1 385 67 67 LYS CB C 32.6 0.1 1 386 67 67 LYS N N 122.7 0.1 1 387 68 68 HIS H H 8.15 0.01 1 388 68 68 HIS HA H 4.46 0.01 1 389 68 68 HIS C C 174.9 0.1 1 390 68 68 HIS CA C 55.7 0.1 1 391 68 68 HIS CB C 29.5 0.1 1 392 68 68 HIS N N 119.8 0.1 1 393 69 69 THR H H 7.97 0.01 1 394 69 69 THR HA H 4.09 0.01 1 395 69 69 THR C C 173.9 0.1 1 396 69 69 THR CA C 61.9 0.1 1 397 69 69 THR CB C 69.6 0.1 1 398 69 69 THR N N 116.6 0.1 1 399 70 70 ALA H H 8.26 0.01 1 400 70 70 ALA HA H 4.12 0.01 1 401 70 70 ALA C C 176.9 0.1 1 402 70 70 ALA CA C 52.0 0.1 1 403 70 70 ALA CB C 19.1 0.1 1 404 70 70 ALA N N 127.0 0.1 1 405 71 71 ASP H H 8.18 0.01 1 406 71 71 ASP HA H 4.64 0.01 1 407 71 71 ASP C C 174.8 0.1 1 408 71 71 ASP CA C 52.0 0.1 1 409 71 71 ASP CB C 41.0 0.1 1 410 71 71 ASP N N 122.2 0.1 1 411 72 72 PRO HA H 4.18 0.01 1 412 72 72 PRO CA C 63.6 0.1 1 413 72 72 PRO CB C 32.0 0.1 1 414 72 72 PRO N N 138.3 0.1 1 415 73 73 LYS H H 8.29 0.01 1 416 73 73 LYS HA H 3.99 0.01 1 417 73 73 LYS C C 176.6 0.1 1 418 73 73 LYS CA C 56.6 0.1 1 419 73 73 LYS CB C 32.2 0.1 1 420 73 73 LYS N N 120.2 0.1 1 421 74 74 ASN H H 7.97 0.01 1 422 74 74 ASN HA H 4.46 0.01 1 423 74 74 ASN C C 174.8 0.1 1 424 74 74 ASN CA C 53.0 0.1 1 425 74 74 ASN CB C 38.6 0.1 1 426 74 74 ASN N N 118.7 0.1 1 427 75 75 ASN H H 8.14 0.01 1 428 75 75 ASN HA H 4.46 0.01 1 429 75 75 ASN C C 174.9 0.1 1 430 75 75 ASN CA C 53.0 0.1 1 431 75 75 ASN CB C 38.6 0.1 1 432 75 75 ASN N N 119.8 0.1 1 433 76 76 TRP H H 7.99 0.01 1 434 76 76 TRP HA H 4.41 0.01 1 435 76 76 TRP C C 176.5 0.1 1 436 76 76 TRP CA C 57.6 0.1 1 437 76 76 TRP CB C 29.1 0.1 1 438 76 76 TRP N N 121.9 0.1 1 439 77 77 GLN H H 8.10 0.01 1 440 77 77 GLN HA H 3.96 0.01 1 441 77 77 GLN C C 176.0 0.1 1 442 77 77 GLN CA C 56.0 0.1 1 443 77 77 GLN CB C 29.1 0.1 1 444 77 77 GLN N N 122.7 0.1 1 445 78 78 GLY H H 7.51 0.01 1 446 78 78 GLY C C 173.3 0.1 1 447 78 78 GLY CA C 44.9 0.1 1 448 78 78 GLY N N 109.2 0.1 1 449 79 79 ALA H H 7.89 0.01 1 450 79 79 ALA HA H 4.04 0.01 1 451 79 79 ALA C C 177.1 0.1 1 452 79 79 ALA CA C 52.2 0.1 1 453 79 79 ALA CB C 19.3 0.1 1 454 79 79 ALA N N 123.3 0.1 1 455 80 80 HIS H H 8.24 0.01 1 456 80 80 HIS HA H 4.68 0.01 1 457 80 80 HIS C C 172.6 0.1 1 458 80 80 HIS CA C 53.5 0.1 1 459 80 80 HIS CB C 29.1 0.1 1 460 80 80 HIS N N 119.4 0.1 1 461 81 81 PRO HA H 4.16 0.01 1 462 81 81 PRO CA C 63.1 0.1 1 463 81 81 PRO CB C 31.9 0.1 1 464 81 81 PRO N N 137.9 0.1 1 465 82 82 ALA H H 8.43 0.01 1 466 82 82 ALA HA H 4.08 0.01 1 467 82 82 ALA C C 177.1 0.1 1 468 82 82 ALA CA C 52.1 0.1 1 469 82 82 ALA CB C 19.0 0.1 1 470 82 82 ALA N N 124.7 0.1 1 471 83 83 ASP H H 8.20 0.01 1 472 83 83 ASP HA H 4.64 0.01 1 473 83 83 ASP C C 174.9 0.1 1 474 83 83 ASP CA C 51.9 0.1 1 475 83 83 ASP CB C 41.1 0.1 1 476 83 83 ASP N N 121.8 0.1 1 477 84 84 PRO HA H 4.21 0.01 1 478 84 84 PRO CA C 63.7 0.1 1 479 84 84 PRO CB C 31.5 0.1 1 480 84 84 PRO N N 138.0 0.1 1 481 85 85 GLY H H 8.41 0.01 1 482 85 85 GLY C C 173.8 0.1 1 483 85 85 GLY CA C 45.2 0.1 1 484 85 85 GLY N N 108.5 0.1 1 485 86 86 ASN H H 7.99 0.01 5 486 86 86 ASN HA H 4.52 0.01 5 487 86 86 ASN C C 174.7 0.1 5 488 86 86 ASN CA C 52.8 0.1 5 489 86 86 ASN CB C 38.6 0.1 5 490 86 86 ASN N N 119.0 0.1 5 491 87 87 ARG H H 8.05 0.01 1 492 87 87 ARG HA H 4.42 0.01 1 493 87 87 ARG C C 174.0 0.1 1 494 87 87 ARG CA C 54.2 0.1 1 495 87 87 ARG CB C 29.8 0.1 1 496 87 87 ARG N N 122.5 0.1 1 497 88 88 PRO HA H 4.17 0.01 1 498 88 88 PRO CA C 63.2 0.1 1 499 88 88 PRO CB C 31.9 0.1 1 500 88 88 PRO N N 136.9 0.1 1 501 89 89 HIS H H 8.37 0.01 1 502 89 89 HIS HA H 4.44 0.01 1 503 89 89 HIS C C 174.6 0.1 1 504 89 89 HIS CA C 55.7 0.1 1 505 89 89 HIS CB C 29.7 0.1 1 506 89 89 HIS N N 119.8 0.1 1 507 90 90 LEU H H 8.02 0.01 1 508 90 90 LEU HA H 4.15 0.01 1 509 90 90 LEU C C 176.8 0.1 1 510 90 90 LEU CA C 54.9 0.1 1 511 90 90 LEU CB C 42.3 0.1 1 512 90 90 LEU N N 124.3 0.1 1 513 91 91 ILE H H 8.06 0.01 1 514 91 91 ILE HA H 3.91 0.01 1 515 91 91 ILE C C 175.8 0.1 1 516 91 91 ILE CA C 60.9 0.1 1 517 91 91 ILE CB C 38.3 0.1 1 518 91 91 ILE N N 123.2 0.1 1 519 92 92 ARG H H 8.24 0.01 1 520 92 92 ARG HA H 4.11 0.01 1 521 92 92 ARG C C 175.5 0.1 1 522 92 92 ARG CA C 55.7 0.1 1 523 92 92 ARG CB C 30.7 0.1 1 524 92 92 ARG N N 126.4 0.1 1 525 93 93 LEU H H 8.13 0.01 1 526 93 93 LEU HA H 4.10 0.01 1 527 93 93 LEU C C 176.8 0.1 1 528 93 93 LEU CA C 54.7 0.1 1 529 93 93 LEU CB C 42.4 0.1 1 530 93 93 LEU N N 124.5 0.1 1 531 94 94 PHE H H 8.18 0.01 1 532 94 94 PHE HA H 4.03 0.01 1 533 94 94 PHE C C 175.5 0.1 1 534 94 94 PHE CA C 57.4 0.1 1 535 94 94 PHE CB C 39.6 0.1 1 536 94 94 PHE N N 121.3 0.1 1 537 95 95 SER H H 8.11 0.01 1 538 95 95 SER HA H 4.22 0.01 1 539 95 95 SER C C 174.3 0.1 1 540 95 95 SER CA C 57.9 0.1 1 541 95 95 SER CB C 63.8 0.1 1 542 95 95 SER N N 117.9 0.1 1 543 96 96 ARG H H 8.32 0.01 1 544 96 96 ARG HA H 4.14 0.01 1 545 96 96 ARG C C 175.8 0.1 1 546 96 96 ARG CA C 56.1 0.1 1 547 96 96 ARG CB C 30.7 0.1 1 548 96 96 ARG N N 123.7 0.1 1 549 97 97 ASP H H 8.13 0.01 1 550 97 97 ASP HA H 4.41 0.01 1 551 97 97 ASP C C 175.3 0.1 1 552 97 97 ASP CA C 54.1 0.1 1 553 97 97 ASP CB C 41.1 0.1 1 554 97 97 ASP N N 120.9 0.1 1 555 98 98 ALA H H 7.96 0.01 1 556 98 98 ALA HA H 4.37 0.01 1 557 98 98 ALA C C 175.1 0.1 1 558 98 98 ALA CA C 50.4 0.1 1 559 98 98 ALA CB C 18.2 0.1 1 560 98 98 ALA N N 125.5 0.1 1 561 99 99 PRO HA H 4.23 0.01 1 562 99 99 PRO CA C 63.2 0.1 1 563 99 99 PRO CB C 31.9 0.1 1 564 99 99 PRO N N 136.2 0.1 1 565 100 100 GLY H H 8.43 0.01 1 566 100 100 GLY C C 174.0 0.1 1 567 100 100 GLY CA C 45.1 0.1 1 568 100 100 GLY N N 110.1 0.1 1 569 101 101 ARG H H 8.04 0.01 1 570 101 101 ARG HA H 4.11 0.01 1 571 101 101 ARG C C 176.4 0.1 1 572 101 101 ARG CA C 56.0 0.1 1 573 101 101 ARG CB C 30.7 0.1 1 574 101 101 ARG N N 121.1 0.1 1 575 102 102 GLU H H 8.53 0.01 1 576 102 102 GLU HA H 4.08 0.01 1 577 102 102 GLU C C 176.0 0.1 1 578 102 102 GLU CA C 56.4 0.1 1 579 102 102 GLU CB C 29.9 0.1 1 580 102 102 GLU N N 122.5 0.1 1 581 103 103 ASP H H 8.24 0.01 1 582 103 103 ASP HA H 4.42 0.01 1 583 103 103 ASP C C 176.0 0.1 1 584 103 103 ASP CA C 54.0 0.1 1 585 103 103 ASP CB C 41.0 0.1 1 586 103 103 ASP N N 121.8 0.1 1 587 104 104 ASN H H 8.36 0.01 1 588 104 104 ASN HA H 4.55 0.01 1 589 104 104 ASN C C 175.5 0.1 1 590 104 104 ASN CA C 53.2 0.1 1 591 104 104 ASN CB C 38.7 0.1 1 592 104 104 ASN N N 120.5 0.1 1 593 105 105 THR H H 8.03 0.01 1 594 105 105 THR HA H 4.01 0.01 1 595 105 105 THR C C 174.5 0.1 1 596 105 105 THR CA C 62.7 0.1 1 597 105 105 THR CB C 69.5 0.1 1 598 105 105 THR N N 114.5 0.1 1 599 106 106 PHE H H 8.09 0.01 1 600 106 106 PHE HA H 4.38 0.01 1 601 106 106 PHE C C 175.6 0.1 1 602 106 106 PHE CA C 57.9 0.1 1 603 106 106 PHE CB C 39.0 0.1 1 604 106 106 PHE N N 122.5 0.1 1 605 107 107 LYS H H 7.92 0.01 1 606 107 107 LYS HA H 4.07 0.01 1 607 107 107 LYS C C 175.7 0.1 1 608 107 107 LYS CA C 56.1 0.1 1 609 107 107 LYS CB C 33.0 0.1 1 610 107 107 LYS N N 123.3 0.1 1 611 108 108 ASP H H 8.10 0.01 1 612 108 108 ASP HA H 4.34 0.01 1 613 108 108 ASP C C 175.5 0.1 1 614 108 108 ASP CA C 54.2 0.1 1 615 108 108 ASP CB C 41.0 0.1 1 616 108 108 ASP N N 121.4 0.1 1 617 109 109 ARG H H 7.99 0.01 1 618 109 109 ARG HA H 4.42 0.01 1 619 109 109 ARG C C 173.9 0.1 1 620 109 109 ARG CA C 53.9 0.1 1 621 109 109 ARG CB C 30.2 0.1 1 622 109 109 ARG N N 122.1 0.1 1 623 110 110 PRO HA H 4.25 0.01 1 624 110 110 PRO CA C 63.1 0.1 1 625 110 110 PRO CB C 32.0 0.1 1 626 110 110 PRO N N 137.7 0.1 1 627 111 111 SER H H 8.42 0.01 1 628 111 111 SER HA H 4.22 0.01 1 629 111 111 SER C C 174.8 0.1 1 630 111 111 SER CA C 58.3 0.1 1 631 111 111 SER CB C 63.6 0.1 1 632 111 111 SER N N 117.1 0.1 1 633 112 112 GLU H H 8.48 0.01 1 634 112 112 GLU HA H 4.14 0.01 1 635 112 112 GLU C C 176.5 0.1 1 636 112 112 GLU CA C 56.8 0.1 1 637 112 112 GLU CB C 30.0 0.1 1 638 112 112 GLU N N 123.5 0.1 1 639 113 113 SER H H 8.17 0.01 1 640 113 113 SER HA H 4.23 0.01 1 641 113 113 SER C C 174.4 0.1 1 642 113 113 SER CA C 58.3 0.1 1 643 113 113 SER CB C 63.5 0.1 1 644 113 113 SER N N 116.2 0.1 1 645 114 114 ASP H H 8.20 0.01 1 646 114 114 ASP HA H 4.43 0.01 1 647 114 114 ASP C C 176.4 0.1 1 648 114 114 ASP CA C 54.5 0.1 1 649 114 114 ASP CB C 40.9 0.1 1 650 114 114 ASP N N 123.2 0.1 1 651 115 115 GLU H H 8.19 0.01 1 652 115 115 GLU HA H 4.05 0.01 1 653 115 115 GLU C C 176.6 0.1 1 654 115 115 GLU CA C 56.6 0.1 1 655 115 115 GLU CB C 30.1 0.1 1 656 115 115 GLU N N 121.3 0.1 1 657 116 116 LEU H H 8.11 0.01 1 658 116 116 LEU HA H 4.13 0.01 1 659 116 116 LEU C C 177.4 0.1 1 660 116 116 LEU CA C 55.2 0.1 1 661 116 116 LEU CB C 41.9 0.1 1 662 116 116 LEU N N 123.0 0.1 1 663 117 117 GLN H H 8.20 0.01 1 664 117 117 GLN HA H 4.41 0.01 1 665 117 117 GLN C C 176.0 0.1 1 666 117 117 GLN CA C 55.4 0.1 1 667 117 117 GLN CB C 29.4 0.1 1 668 117 117 GLN N N 121.5 0.1 1 669 118 118 THR H H 8.08 0.01 1 670 118 118 THR HA H 4.13 0.01 1 671 118 118 THR C C 174.3 0.1 1 672 118 118 THR CA C 61.9 0.1 1 673 118 118 THR CB C 69.7 0.1 1 674 118 118 THR N N 116.7 0.1 1 675 119 119 ILE H H 8.13 0.01 1 676 119 119 ILE HA H 3.98 0.01 1 677 119 119 ILE C C 175.9 0.1 1 678 119 119 ILE CA C 60.9 0.1 1 679 119 119 ILE CB C 38.5 0.1 1 680 119 119 ILE N N 124.4 0.1 1 681 120 120 GLN H H 8.37 0.01 1 682 120 120 GLN HA H 4.15 0.01 1 683 120 120 GLN C C 175.5 0.1 1 684 120 120 GLN CA C 55.3 0.1 1 685 120 120 GLN CB C 29.5 0.1 1 686 120 120 GLN N N 125.7 0.1 1 687 121 121 GLU H H 8.37 0.01 1 688 121 121 GLU HA H 4.11 0.01 1 689 121 121 GLU C C 175.7 0.1 1 690 121 121 GLU CA C 56.1 0.1 1 691 121 121 GLU CB C 30.6 0.1 1 692 121 121 GLU N N 123.7 0.1 1 693 122 122 ASP H H 8.42 0.01 1 694 122 122 ASP HA H 4.14 0.01 1 695 122 122 ASP C C 175.0 0.1 1 696 122 122 ASP CA C 51.6 0.1 1 697 122 122 ASP CB C 41.0 0.1 1 698 122 122 ASP N N 123.5 0.1 1 699 123 123 PRO HA H 4.30 0.01 1 700 123 123 PRO CA C 63.7 0.1 1 701 123 123 PRO CB C 32.1 0.1 1 702 123 123 PRO N N 138.0 0.1 1 703 124 124 THR H H 8.19 0.01 1 704 124 124 THR HA H 4.11 0.01 1 705 124 124 THR C C 174.8 0.1 1 706 124 124 THR CA C 62.4 0.1 1 707 124 124 THR CB C 69.4 0.1 1 708 124 124 THR N N 113.1 0.1 1 709 125 125 ALA H H 7.80 0.01 1 710 125 125 ALA HA H 4.08 0.01 1 711 125 125 ALA C C 177.7 0.1 1 712 125 125 ALA CA C 52.6 0.1 1 713 125 125 ALA CB C 18.9 0.1 1 714 125 125 ALA N N 126.5 0.1 1 715 126 126 ALA H H 8.09 0.01 1 716 126 126 ALA HA H 4.12 0.01 1 717 126 126 ALA C C 178.0 0.1 1 718 126 126 ALA CA C 52.6 0.1 1 719 126 126 ALA CB C 18.9 0.1 1 720 126 126 ALA N N 123.5 0.1 1 721 127 127 SER H H 8.13 0.01 1 722 127 127 SER HA H 4.25 0.01 1 723 127 127 SER C C 175.2 0.1 1 724 127 127 SER CA C 58.4 0.1 1 725 127 127 SER CB C 63.5 0.1 1 726 127 127 SER N N 115.4 0.1 1 727 128 128 GLY H H 8.26 0.01 1 728 128 128 GLY C C 174.5 0.1 1 729 128 128 GLY CA C 45.3 0.1 1 730 128 128 GLY N N 111.3 0.1 1 731 129 129 GLY H H 8.13 0.01 1 732 129 129 GLY C C 174.0 0.1 1 733 129 129 GLY CA C 45.1 0.1 1 734 129 129 GLY N N 109.0 0.1 1 735 130 130 LEU H H 8.03 0.01 1 736 130 130 LEU HA H 4.13 0.01 1 737 130 130 LEU C C 177.1 0.1 1 738 130 130 LEU CA C 55.2 0.1 1 739 130 130 LEU CB C 42.3 0.1 1 740 130 130 LEU N N 121.7 0.1 1 741 131 131 ASP H H 8.31 0.01 1 742 131 131 ASP HA H 4.42 0.01 1 743 131 131 ASP C C 176.6 0.1 1 744 131 131 ASP CA C 54.0 0.1 1 745 131 131 ASP CB C 40.8 0.1 1 746 131 131 ASP N N 121.7 0.1 1 747 132 132 VAL H H 7.94 0.01 1 748 132 132 VAL HA H 3.86 0.01 1 749 132 132 VAL C C 176.7 0.1 1 750 132 132 VAL CA C 63.0 0.1 1 751 132 132 VAL CB C 32.2 0.1 1 752 132 132 VAL N N 121.1 0.1 1 753 133 133 MET H H 8.23 0.01 1 754 133 133 MET HA H 4.14 0.01 1 755 133 133 MET C C 176.7 0.1 1 756 133 133 MET CA C 55.2 0.1 1 757 133 133 MET CB C 32.2 0.1 1 758 133 133 MET N N 122.5 0.1 1 759 134 134 ALA H H 8.04 0.01 1 760 134 134 ALA HA H 4.05 0.01 1 761 134 134 ALA C C 178.2 0.1 1 762 134 134 ALA CA C 53.1 0.1 1 763 134 134 ALA CB C 18.9 0.1 1 764 134 134 ALA N N 124.9 0.1 1 765 135 135 SER H H 8.06 0.01 1 766 135 135 SER HA H 4.18 0.01 1 767 135 135 SER C C 174.7 0.1 1 768 135 135 SER CA C 58.8 0.1 1 769 135 135 SER CB C 63.4 0.1 1 770 135 135 SER N N 114.5 0.1 1 771 136 136 GLN H H 8.06 0.01 1 772 136 136 GLN HA H 4.14 0.01 1 773 136 136 GLN C C 175.8 0.1 1 774 136 136 GLN CA C 55.8 0.1 1 775 136 136 GLN CB C 29.2 0.1 1 776 136 136 GLN N N 122.0 0.1 1 777 137 137 LYS H H 8.05 0.01 1 778 137 137 LYS HA H 4.10 0.01 1 779 137 137 LYS C C 176.2 0.1 1 780 137 137 LYS CA C 56.0 0.1 1 781 137 137 LYS CB C 32.8 0.1 1 782 137 137 LYS N N 122.3 0.1 1 783 138 138 ARG H H 8.22 0.01 1 784 138 138 ARG HA H 4.44 0.01 1 785 138 138 ARG C C 174.2 0.1 1 786 138 138 ARG CA C 53.9 0.1 1 787 138 138 ARG CB C 29.9 0.1 1 788 138 138 ARG N N 123.8 0.1 1 789 139 139 PRO HA H 4.25 0.01 1 790 139 139 PRO CA C 63.2 0.1 1 791 139 139 PRO CB C 32.0 0.1 1 792 139 139 PRO N N 137.6 0.1 1 793 140 140 SER H H 8.37 0.01 1 794 140 140 SER HA H 4.21 0.01 1 795 140 140 SER C C 174.7 0.1 1 796 140 140 SER CA C 58.3 0.1 1 797 140 140 SER CB C 63.5 0.1 1 798 140 140 SER N N 116.6 0.1 1 799 141 141 GLN H H 8.37 0.01 1 800 141 141 GLN HA H 4.17 0.01 1 801 141 141 GLN C C 176.0 0.1 1 802 141 141 GLN CA C 55.9 0.1 1 803 141 141 GLN CB C 29.4 0.1 1 804 141 141 GLN N N 122.9 0.1 1 805 142 142 ARG H H 8.24 0.01 1 806 142 142 ARG HA H 4.15 0.01 1 807 142 142 ARG C C 176.4 0.1 1 808 142 142 ARG CA C 56.3 0.1 1 809 142 142 ARG CB C 30.6 0.1 1 810 142 142 ARG N N 122.6 0.1 1 811 143 143 SER H H 8.22 0.01 1 812 143 143 SER HA H 4.19 0.01 1 813 143 143 SER C C 174.7 0.1 1 814 143 143 SER CA C 58.5 0.1 1 815 143 143 SER CB C 63.4 0.1 1 816 143 143 SER N N 117.4 0.1 1 817 144 144 LYS H H 8.20 0.01 1 818 144 144 LYS HA H 4.02 0.01 1 819 144 144 LYS C C 176.2 0.1 1 820 144 144 LYS CA C 56.8 0.1 1 821 144 144 LYS CB C 32.6 0.1 1 822 144 144 LYS N N 123.9 0.1 1 823 145 145 TYR H H 7.98 0.01 1 824 145 145 TYR HA H 4.33 0.01 1 825 145 145 TYR C C 175.5 0.1 1 826 145 145 TYR CA C 58.0 0.1 1 827 145 145 TYR CB C 38.5 0.1 1 828 145 145 TYR N N 121.1 0.1 1 829 146 146 LEU H H 7.88 0.01 1 830 146 146 LEU HA H 4.10 0.01 1 831 146 146 LEU C C 176.6 0.1 1 832 146 146 LEU CA C 54.7 0.1 1 833 146 146 LEU CB C 42.4 0.1 1 834 146 146 LEU N N 124.5 0.1 1 835 147 147 ALA H H 8.11 0.01 1 836 147 147 ALA HA H 4.14 0.01 1 837 147 147 ALA C C 177.9 0.1 1 838 147 147 ALA CA C 52.6 0.1 1 839 147 147 ALA CB C 18.9 0.1 1 840 147 147 ALA N N 125.7 0.1 1 841 148 148 THR H H 7.88 0.01 1 842 148 148 THR HA H 4.12 0.01 1 843 148 148 THR C C 174.4 0.1 1 844 148 148 THR CA C 61.6 0.1 1 845 148 148 THR CB C 69.7 0.1 1 846 148 148 THR N N 113.4 0.1 1 847 149 149 ALA H H 8.18 0.01 1 848 149 149 ALA HA H 4.15 0.01 1 849 149 149 ALA C C 177.9 0.1 1 850 149 149 ALA CA C 52.7 0.1 1 851 149 149 ALA CB C 19.0 0.1 1 852 149 149 ALA N N 126.8 0.1 1 853 150 150 SER H H 8.25 0.01 1 854 150 150 SER HA H 4.30 0.01 1 855 150 150 SER C C 175.1 0.1 1 856 150 150 SER CA C 58.4 0.1 1 857 150 150 SER CB C 63.5 0.1 1 858 150 150 SER N N 115.5 0.1 1 859 151 151 THR H H 8.03 0.01 1 860 151 151 THR HA H 4.14 0.01 1 861 151 151 THR C C 174.8 0.1 1 862 151 151 THR CA C 62.1 0.1 1 863 151 151 THR CB C 69.4 0.1 1 864 151 151 THR N N 116.1 0.1 1 865 152 152 MET H H 8.12 0.01 1 866 152 152 MET HA H 4.24 0.01 1 867 152 152 MET C C 175.9 0.1 1 868 152 152 MET CA C 55.6 0.1 1 869 152 152 MET CB C 32.6 0.1 1 870 152 152 MET N N 122.2 0.1 1 871 153 153 ASP H H 8.12 0.01 1 872 153 153 ASP HA H 4.34 0.01 1 873 153 153 ASP C C 176.3 0.1 1 874 153 153 ASP CA C 54.4 0.1 1 875 153 153 ASP CB C 40.8 0.1 1 876 153 153 ASP N N 121.8 0.1 1 877 154 154 HIS H H 8.13 0.01 1 878 154 154 HIS HA H 4.31 0.01 1 879 154 154 HIS C C 175.1 0.1 1 880 154 154 HIS CA C 56.3 0.1 1 881 154 154 HIS CB C 29.7 0.1 1 882 154 154 HIS N N 120.2 0.1 1 883 155 155 ALA H H 8.06 0.01 1 884 155 155 ALA HA H 4.06 0.01 1 885 155 155 ALA C C 177.8 0.1 1 886 155 155 ALA CA C 52.7 0.1 1 887 155 155 ALA CB C 18.9 0.1 1 888 155 155 ALA N N 124.2 0.1 1 889 156 156 ARG H H 8.03 0.01 1 890 156 156 ARG HA H 4.06 0.01 1 891 156 156 ARG C C 176.2 0.1 1 892 156 156 ARG CA C 56.0 0.1 1 893 156 156 ARG CB C 30.4 0.1 1 894 156 156 ARG N N 120.0 0.1 1 895 157 157 HIS H H 8.15 0.01 1 896 157 157 HIS HA H 4.44 0.01 1 897 157 157 HIS C C 175.4 0.1 1 898 157 157 HIS CA C 55.9 0.1 1 899 157 157 HIS CB C 29.7 0.1 1 900 157 157 HIS N N 120.1 0.1 1 901 158 158 GLY H H 8.22 0.01 1 902 158 158 GLY C C 173.4 0.1 1 903 158 158 GLY CA C 45.0 0.1 1 904 158 158 GLY N N 110.4 0.1 1 905 159 159 PHE H H 7.98 0.01 1 906 159 159 PHE HA H 4.44 0.01 1 907 159 159 PHE C C 175.1 0.1 1 908 159 159 PHE CA C 57.4 0.1 1 909 159 159 PHE CB C 39.7 0.1 1 910 159 159 PHE N N 120.4 0.1 1 911 160 160 LEU H H 8.09 0.01 1 912 160 160 LEU HA H 4.40 0.01 1 913 160 160 LEU C C 174.4 0.1 1 914 160 160 LEU CA C 52.5 0.1 1 915 160 160 LEU CB C 41.8 0.1 1 916 160 160 LEU N N 126.3 0.1 1 917 161 161 PRO HA H 4.16 0.01 1 918 161 161 PRO CA C 62.8 0.1 1 919 161 161 PRO CB C 32.0 0.1 1 920 161 161 PRO N N 136.3 0.1 1 921 162 162 ARG H H 8.31 0.01 1 922 162 162 ARG HA H 4.42 0.01 1 923 162 162 ARG C C 176.1 0.1 1 924 162 162 ARG CA C 55.8 0.1 1 925 162 162 ARG CB C 30.1 0.1 1 926 162 162 ARG N N 121.5 0.1 1 927 163 163 HIS H H 8.29 0.01 1 928 163 163 HIS HA H 4.41 0.01 1 929 163 163 HIS C C 174.9 0.1 1 930 163 163 HIS CA C 55.7 0.1 1 931 163 163 HIS CB C 30.2 0.1 1 932 163 163 HIS N N 121.2 0.1 1 933 165 165 ASP H H 8.45 0.01 1 934 165 165 ASP HA H 4.50 0.01 1 935 165 165 ASP C C 176.4 0.1 1 936 165 165 ASP CA C 54.2 0.1 1 937 165 165 ASP CB C 41.1 0.1 1 938 165 165 ASP N N 122.7 0.1 1 939 166 166 THR H H 8.07 0.01 1 940 166 166 THR HA H 4.12 0.01 1 941 166 166 THR C C 175.2 0.1 1 942 166 166 THR CA C 62.0 0.1 1 943 166 166 THR CB C 69.6 0.1 1 944 166 166 THR N N 114.7 0.1 1 945 167 167 GLY H H 8.40 0.01 1 946 167 167 GLY C C 174.1 0.1 1 947 167 167 GLY CA C 45.2 0.1 1 948 167 167 GLY N N 111.7 0.1 1 949 168 168 ILE H H 7.81 0.01 1 950 168 168 ILE HA H 3.95 0.01 1 951 168 168 ILE C C 176.4 0.1 1 952 168 168 ILE CA C 61.3 0.1 1 953 168 168 ILE CB C 38.4 0.1 1 954 168 168 ILE N N 120.6 0.1 1 955 169 169 LEU H H 8.21 0.01 1 956 169 169 LEU HA H 4.18 0.01 1 957 169 169 LEU C C 177.2 0.1 1 958 169 169 LEU CA C 55.1 0.1 1 959 169 169 LEU CB C 42.1 0.1 1 960 169 169 LEU N N 126.1 0.1 1 961 171 171 SER H H 8.07 0.01 1 962 171 171 SER HA H 4.18 0.01 1 963 171 171 SER C C 174.8 0.1 1 964 171 171 SER CA C 58.8 0.1 1 965 171 171 SER CB C 63.3 0.1 1 966 171 171 SER N N 115.9 0.1 1 967 172 172 ILE H H 7.91 0.01 1 968 172 172 ILE HA H 3.98 0.01 1 969 172 172 ILE C C 176.8 0.1 1 970 172 172 ILE CA C 61.7 0.1 1 971 172 172 ILE CB C 38.2 0.1 1 972 172 172 ILE N N 122.1 0.1 1 973 173 173 GLY H H 8.26 0.01 1 974 173 173 GLY C C 174.1 0.1 1 975 173 173 GLY CA C 45.4 0.1 1 976 173 173 GLY N N 112.2 0.1 1 977 174 174 ARG H H 7.93 0.01 1 978 174 174 ARG HA H 4.06 0.01 1 979 174 174 ARG C C 175.9 0.1 1 980 174 174 ARG CA C 56.1 0.1 1 981 174 174 ARG CB C 30.6 0.1 1 982 174 174 ARG N N 121.0 0.1 1 983 175 175 PHE H H 8.09 0.01 1 984 175 175 PHE HA H 4.43 0.01 1 985 175 175 PHE C C 175.3 0.1 1 986 175 175 PHE CA C 57.5 0.1 1 987 175 175 PHE CB C 39.5 0.1 1 988 175 175 PHE N N 121.0 0.1 1 989 176 176 PHE H H 8.12 0.01 1 990 176 176 PHE HA H 3.96 0.01 1 991 176 176 PHE C C 175.3 0.1 1 992 176 176 PHE CA C 57.5 0.1 1 993 176 176 PHE CB C 39.7 0.1 1 994 176 176 PHE N N 122.7 0.1 1 995 177 177 SER H H 8.19 0.01 1 996 177 177 SER HA H 4.18 0.01 1 997 177 177 SER C C 174.7 0.1 1 998 177 177 SER CA C 58.2 0.1 1 999 177 177 SER CB C 63.7 0.1 1 1000 177 177 SER N N 118.7 0.1 1 1001 178 178 GLY H H 7.66 0.01 1 1002 178 178 GLY C C 173.5 0.1 1 1003 178 178 GLY CA C 45.2 0.1 1 1004 178 178 GLY N N 110.9 0.1 1 1005 179 179 ASP H H 8.10 0.01 1 1006 179 179 ASP HA H 4.41 0.01 1 1007 179 179 ASP C C 176.5 0.1 1 1008 179 179 ASP CA C 54.2 0.1 1 1009 179 179 ASP CB C 41.1 0.1 1 1010 179 179 ASP N N 121.0 0.1 1 1011 180 180 ARG H H 8.33 0.01 1 1012 180 180 ARG HA H 4.10 0.01 1 1013 180 180 ARG C C 176.8 0.1 1 1014 180 180 ARG CA C 56.3 0.1 1 1015 180 180 ARG CB C 30.2 0.1 1 1016 180 180 ARG N N 122.5 0.1 1 1017 181 181 GLY H H 8.30 0.01 1 1018 181 181 GLY C C 173.3 0.1 1 1019 181 181 GLY CA C 44.9 0.1 1 1020 181 181 GLY N N 110.0 0.1 1 1021 182 182 ALA H H 7.90 0.01 1 1022 182 182 ALA HA H 4.34 0.01 1 1023 182 182 ALA C C 175.3 0.1 1 1024 182 182 ALA CA C 50.4 0.1 1 1025 182 182 ALA CB C 17.9 0.1 1 1026 182 182 ALA N N 125.2 0.1 1 1027 183 183 PRO HA H 4.22 0.01 1 1028 183 183 PRO CA C 62.9 0.1 1 1029 183 183 PRO CB C 31.9 0.1 1 1030 183 183 PRO N N 136.3 0.1 1 1031 184 184 LYS H H 8.37 0.01 1 1032 184 184 LYS HA H 4.14 0.01 1 1033 184 184 LYS C C 176.7 0.1 1 1034 184 184 LYS CA C 56.0 0.1 1 1035 184 184 LYS CB C 32.8 0.1 1 1036 184 184 LYS N N 122.6 0.1 1 1037 185 185 ARG H H 8.37 0.01 1 1038 185 185 ARG C C 176.7 0.1 1 1039 185 185 ARG CA C 56.1 0.1 1 1040 185 185 ARG CB C 30.7 0.1 1 1041 185 185 ARG N N 123.5 0.1 1 1042 186 186 GLY H H 8.42 0.01 1 1043 186 186 GLY C C 174.0 0.1 1 1044 186 186 GLY CA C 45.0 0.1 1 1045 186 186 GLY N N 111.4 0.1 1 1046 187 187 SER H H 8.23 0.01 1 1047 187 187 SER HA H 4.25 0.01 1 1048 187 187 SER C C 175.0 0.1 1 1049 187 187 SER CA C 58.3 0.1 1 1050 187 187 SER CB C 63.8 0.1 1 1051 187 187 SER N N 116.2 0.1 1 1052 188 188 GLY H H 8.42 0.01 5 1053 188 188 GLY C C 173.8 0.1 5 1054 188 188 GLY CA C 45.1 0.1 5 1055 188 188 GLY N N 111.6 0.1 5 1056 189 189 LYS H H 8.06 0.01 5 1057 189 189 LYS HA H 4.14 0.01 5 1058 189 189 LYS C C 176.6 0.1 5 1059 189 189 LYS CA C 56.1 0.1 5 1060 189 189 LYS CB C 32.9 0.1 5 1061 189 189 LYS N N 121.6 0.1 5 1062 190 190 VAL H H 8.13 0.01 1 1063 190 190 VAL HA H 3.96 0.01 1 1064 190 190 VAL C C 176.0 0.1 1 1065 190 190 VAL CA C 62.1 0.1 1 1066 190 190 VAL CB C 32.8 0.1 1 1067 190 190 VAL N N 122.6 0.1 1 1068 191 191 SER H H 8.36 0.01 1 1069 191 191 SER HA H 4.28 0.01 1 1070 191 191 SER C C 174.5 0.1 1 1071 191 191 SER CA C 57.9 0.1 1 1072 191 191 SER CB C 63.5 0.1 1 1073 191 191 SER N N 120.6 0.1 1 1074 192 192 LEU H H 8.32 0.01 1 1075 192 192 LEU HA H 4.14 0.01 1 1076 192 192 LEU C C 177.2 0.1 1 1077 192 192 LEU CA C 55.0 0.1 1 1078 192 192 LEU CB C 42.0 0.1 1 1079 192 192 LEU N N 125.6 0.1 1 1080 193 193 GLU H H 8.17 0.01 1 1081 193 193 GLU HA H 4.01 0.01 1 1082 193 193 GLU C C 176.1 0.1 1 1083 193 193 GLU CA C 56.4 0.1 1 1084 193 193 GLU CB C 30.1 0.1 1 1085 193 193 GLU N N 121.5 0.1 1 1086 194 194 HIS H H 8.19 0.01 1 1087 194 194 HIS HA H 4.37 0.01 1 1088 194 194 HIS C C 174.7 0.1 1 1089 194 194 HIS CA C 55.8 0.1 1 1090 194 194 HIS CB C 29.9 0.1 1 1091 194 194 HIS N N 120.5 0.1 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 5 485 '6,486' '7,487' '8,488' '9,489' '10,490' '23,1052' '24,1053' '25,1054' '26,1055' '27,1056' '28,1057' '29,1058' '30,1059' '31,1060' '32,1061' '131,263' '132,264' '133,265' '134,266' '135,267' '136,268' stop_ save_