data_16677 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Inter-molecular interactions in a 44 kDa interferon-receptor complex detected by asymmetric back-protonation and 2D NOESY ; _BMRB_accession_number 16677 _BMRB_flat_file_name bmr16677.str _Entry_type original _Submission_date 2010-01-14 _Accession_date 2010-01-14 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'docking model of IFNAR2-EC/IFNalpha2 complex' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nudelman Ilona . . 2 Akabayov Sabine R. . 3 Schnur Einat . . 4 Biron Zohar . . 5 Levy Rina . . 6 Xu Yingqi . . 7 Yang Daiwen . . 8 Anglister Jacob . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1351 "15N chemical shifts" 285 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-08-12 update BMRB 'complete the entry citation' 2010-06-15 update BMRB 'update the entry citation' 2010-06-03 update BMRB 'edit assembly name' 2010-05-26 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Intermolecular interactions in a 44 kDa interferon-receptor complex detected by asymmetric reverse-protonation and two-dimensional NOESY.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20496919 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nudelman Ilona . . 2 Akabayov Sabine R. . 3 Schnur Einat . . 4 Biron Zohar . . 5 Levy Rina . . 6 Xu Yingqi . . 7 Yang Daiwen . . 8 Anglister Jacob . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 49 _Journal_issue 25 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5117 _Page_last 5133 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'interferon-receptor complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 19264.242 _Mol_thiol_state 'all disulfide bound' _Details IFNalpha2 ############################## # Polymer residue sequence # ############################## _Residue_count 165 _Mol_residue_sequence ; CDLPQTHSLGSRRTLMLLAQ MRKISLFSCLKDRHDFGFPQ EEFGNQFQKAETIPVLHEMI QQIFNLFSTKDSSAAWDETL LDKFYTELYQQLNDLEACVI QGVGVTETPLMKEDSILAVR KYFQRITLYLKEKKYSPCAW EVVRAEIMRSFSLSTNLQES LRSKE ; loop_ _Residue_seq_code _Residue_label 1 CYS 2 ASP 3 LEU 4 PRO 5 GLN 6 THR 7 HIS 8 SER 9 LEU 10 GLY 11 SER 12 ARG 13 ARG 14 THR 15 LEU 16 MET 17 LEU 18 LEU 19 ALA 20 GLN 21 MET 22 ARG 23 LYS 24 ILE 25 SER 26 LEU 27 PHE 28 SER 29 CYS 30 LEU 31 LYS 32 ASP 33 ARG 34 HIS 35 ASP 36 PHE 37 GLY 38 PHE 39 PRO 40 GLN 41 GLU 42 GLU 43 PHE 44 GLY 45 ASN 46 GLN 47 PHE 48 GLN 49 LYS 50 ALA 51 GLU 52 THR 53 ILE 54 PRO 55 VAL 56 LEU 57 HIS 58 GLU 59 MET 60 ILE 61 GLN 62 GLN 63 ILE 64 PHE 65 ASN 66 LEU 67 PHE 68 SER 69 THR 70 LYS 71 ASP 72 SER 73 SER 74 ALA 75 ALA 76 TRP 77 ASP 78 GLU 79 THR 80 LEU 81 LEU 82 ASP 83 LYS 84 PHE 85 TYR 86 THR 87 GLU 88 LEU 89 TYR 90 GLN 91 GLN 92 LEU 93 ASN 94 ASP 95 LEU 96 GLU 97 ALA 98 CYS 99 VAL 100 ILE 101 GLN 102 GLY 103 VAL 104 GLY 105 VAL 106 THR 107 GLU 108 THR 109 PRO 110 LEU 111 MET 112 LYS 113 GLU 114 ASP 115 SER 116 ILE 117 LEU 118 ALA 119 VAL 120 ARG 121 LYS 122 TYR 123 PHE 124 GLN 125 ARG 126 ILE 127 THR 128 LEU 129 TYR 130 LEU 131 LYS 132 GLU 133 LYS 134 LYS 135 TYR 136 SER 137 PRO 138 CYS 139 ALA 140 TRP 141 GLU 142 VAL 143 VAL 144 ARG 145 ALA 146 GLU 147 ILE 148 MET 149 ARG 150 SER 151 PHE 152 SER 153 LEU 154 SER 155 THR 156 ASN 157 LEU 158 GLN 159 GLU 160 SER 161 LEU 162 ARG 163 SER 164 LYS 165 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 18135 Interferon_Alpha-2a 100.00 165 100.00 100.00 4.16e-118 BMRB 18344 ggIFN_alpha-2a 100.00 165 100.00 100.00 4.16e-118 BMRB 4081 Interferon_alpha-2a 100.00 165 100.00 100.00 4.16e-118 PDB 1ITF "Interferon Alpha-2a, Nmr, 24 Structures" 100.00 165 100.00 100.00 4.16e-118 PDB 1RH2 "Recombinant Human Interferon-Alpha 2b" 100.00 165 98.79 99.39 5.03e-117 PDB 2HYM "Nmr Based Docking Model Of The Complex Between The Human Type I Interferon Receptor And Human Interferon Alpha-2" 100.00 165 100.00 100.00 4.16e-118 PDB 2KZ1 "Inter-Molecular Interactions In A 44 Kda Interferon-Receptor Complex Detected By Asymmetric Back-Protonation And 2d Noesy" 100.00 165 100.00 100.00 4.16e-118 PDB 2LAG "Structure Of The 44 Kda Complex Of Interferon-Alpha2 With The Extracellular Part Of Ifnar2 Obtained By 2d-Double Difference Noe" 100.00 165 100.00 100.00 4.16e-118 PDB 2LMS "A Single Galnac Residue On Threonine-106 Modifies The Dynamics And The Structure Of Interferon Alpha-2a Around The Glycosylatio" 100.00 166 100.00 100.00 3.99e-118 PDB 3S9D "Binary Complex Between Ifna2 And Ifnar2" 100.00 168 97.58 98.18 1.11e-114 PDB 3SE3 "Human Ifna2-ifnar Ternary Complex" 100.00 166 97.58 98.79 2.19e-115 PDB 4YPG "Structural Insights Into The Neutralization Properties Of A Human Anti-interferon Monoclonal Antibody" 96.36 161 100.00 100.00 5.22e-114 PDB 4Z5R "Rontalizumab Fab Bound To Interferon-a2" 100.00 165 100.00 100.00 4.16e-118 DBJ BAJ20902 "interferon, alpha 2 [synthetic construct]" 100.00 188 99.39 100.00 7.30e-118 EMBL CAA23805 "unnamed protein product [Homo sapiens]" 100.00 188 100.00 100.00 2.70e-118 EMBL CAA23809 "interferon alpha-2 precursor [Homo sapiens]" 100.00 182 99.39 100.00 1.07e-117 EMBL CAA23810 "unnamed protein product [Homo sapiens]" 100.00 188 100.00 100.00 2.70e-118 EMBL CAA25770 "unnamed protein product [synthetic construct]" 100.00 166 99.39 100.00 1.14e-117 EMBL CAA46954 "leukocytic interferon alpha-2 [synthetic construct]" 100.00 166 99.39 100.00 1.14e-117 GB AAA52715 "alpha 2 interferon, partial [Homo sapiens]" 100.00 165 99.39 100.00 1.12e-117 GB AAA59181 "interferon [Homo sapiens]" 100.00 188 100.00 100.00 2.70e-118 GB AAB59402 "interferon alpha-a [Homo sapiens]" 100.00 188 99.39 100.00 7.30e-118 GB AAC64915 "interferon alpha 2b- 44LQ [synthetic construct]" 100.00 165 98.18 98.79 4.30e-115 GB AAH74936 "Interferon, alpha 2 [Homo sapiens]" 100.00 188 99.39 100.00 7.30e-118 PRF 0611561A interferon 100.00 188 100.00 100.00 2.70e-118 PRF 0906342A "interferon C term modified" 93.33 164 100.00 100.00 9.81e-110 REF NP_000596 "interferon alpha-2 precursor [Homo sapiens]" 100.00 188 99.39 100.00 7.30e-118 REF XP_003830724 "PREDICTED: interferon alpha-2 [Pan paniscus]" 100.00 188 98.18 100.00 8.73e-117 REF XP_004047919 "PREDICTED: interferon alpha-2 [Gorilla gorilla gorilla]" 100.00 188 98.18 100.00 1.17e-116 REF XP_528568 "PREDICTED: interferon alpha-2 [Pan troglodytes]" 100.00 188 98.18 100.00 8.73e-117 SP P01563 "RecName: Full=Interferon alpha-2; Short=IFN-alpha-2; AltName: Full=Interferon alpha-A; Short=LeIF A; Flags: Precursor" 100.00 188 100.00 100.00 2.70e-118 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 24323.609 _Mol_thiol_state 'all disulfide bound' _Details IFNAR2 _Residue_count 212 _Mol_residue_sequence ; SYDSPDYTDESCTFKISLRN FRSILSWELKNHSIVPTHYT LLYTIMSKPEDLKVVKNCAN TTRSFCDLTDEWRSTHEAYV TVLEGFSGNTTLFSCSHNFW LAIDMSFEPPEFEIVGFTNH INVMVKFPSIVEEELQFDLS LVIEEQSEGIVKKHKPEIKG NMSGNFTYIIDKLIPNTNYC VSVYLEHSDEQAVIKSPLKC TLLPPGQESEFS ; loop_ _Residue_seq_code _Residue_label 1 SER 2 TYR 3 ASP 4 SER 5 PRO 6 ASP 7 TYR 8 THR 9 ASP 10 GLU 11 SER 12 CYS 13 THR 14 PHE 15 LYS 16 ILE 17 SER 18 LEU 19 ARG 20 ASN 21 PHE 22 ARG 23 SER 24 ILE 25 LEU 26 SER 27 TRP 28 GLU 29 LEU 30 LYS 31 ASN 32 HIS 33 SER 34 ILE 35 VAL 36 PRO 37 THR 38 HIS 39 TYR 40 THR 41 LEU 42 LEU 43 TYR 44 THR 45 ILE 46 MET 47 SER 48 LYS 49 PRO 50 GLU 51 ASP 52 LEU 53 LYS 54 VAL 55 VAL 56 LYS 57 ASN 58 CYS 59 ALA 60 ASN 61 THR 62 THR 63 ARG 64 SER 65 PHE 66 CYS 67 ASP 68 LEU 69 THR 70 ASP 71 GLU 72 TRP 73 ARG 74 SER 75 THR 76 HIS 77 GLU 78 ALA 79 TYR 80 VAL 81 THR 82 VAL 83 LEU 84 GLU 85 GLY 86 PHE 87 SER 88 GLY 89 ASN 90 THR 91 THR 92 LEU 93 PHE 94 SER 95 CYS 96 SER 97 HIS 98 ASN 99 PHE 100 TRP 101 LEU 102 ALA 103 ILE 104 ASP 105 MET 106 SER 107 PHE 108 GLU 109 PRO 110 PRO 111 GLU 112 PHE 113 GLU 114 ILE 115 VAL 116 GLY 117 PHE 118 THR 119 ASN 120 HIS 121 ILE 122 ASN 123 VAL 124 MET 125 VAL 126 LYS 127 PHE 128 PRO 129 SER 130 ILE 131 VAL 132 GLU 133 GLU 134 GLU 135 LEU 136 GLN 137 PHE 138 ASP 139 LEU 140 SER 141 LEU 142 VAL 143 ILE 144 GLU 145 GLU 146 GLN 147 SER 148 GLU 149 GLY 150 ILE 151 VAL 152 LYS 153 LYS 154 HIS 155 LYS 156 PRO 157 GLU 158 ILE 159 LYS 160 GLY 161 ASN 162 MET 163 SER 164 GLY 165 ASN 166 PHE 167 THR 168 TYR 169 ILE 170 ILE 171 ASP 172 LYS 173 LEU 174 ILE 175 PRO 176 ASN 177 THR 178 ASN 179 TYR 180 CYS 181 VAL 182 SER 183 VAL 184 TYR 185 LEU 186 GLU 187 HIS 188 SER 189 ASP 190 GLU 191 GLN 192 ALA 193 VAL 194 ILE 195 LYS 196 SER 197 PRO 198 LEU 199 LYS 200 CYS 201 THR 202 LEU 203 LEU 204 PRO 205 PRO 206 GLY 207 GLN 208 GLU 209 SER 210 GLU 211 PHE 212 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 5049 IFNAR2-EC 100.00 212 100.00 100.00 8.74e-154 PDB 1N6U "Nmr Structure Of The Interferon-Binding Ectodomain Of The Human Interferon Receptor" 100.00 212 100.00 100.00 8.74e-154 PDB 1N6V "Average Structure Of The Interferon-Binding Ectodomain Of The Human Type I Interferon Receptor" 100.00 212 100.00 100.00 8.74e-154 PDB 2HYM "Nmr Based Docking Model Of The Complex Between The Human Type I Interferon Receptor And Human Interferon Alpha-2" 100.00 212 100.00 100.00 8.74e-154 PDB 2KZ1 "Inter-Molecular Interactions In A 44 Kda Interferon-Receptor Complex Detected By Asymmetric Back-Protonation And 2d Noesy" 100.00 212 100.00 100.00 8.74e-154 PDB 2LAG "Structure Of The 44 Kda Complex Of Interferon-Alpha2 With The Extracellular Part Of Ifnar2 Obtained By 2d-Double Difference Noe" 100.00 212 100.00 100.00 8.74e-154 PDB 3S9D "Binary Complex Between Ifna2 And Ifnar2" 92.45 199 100.00 100.00 8.65e-141 PDB 3SE3 "Human Ifna2-ifnar Ternary Complex" 93.87 199 100.00 100.00 1.81e-143 PDB 3SE4 "Human Ifnw-Ifnar Ternary Complex" 93.87 199 100.00 100.00 1.81e-143 DBJ BAF85748 "unnamed protein product [Homo sapiens]" 99.06 515 100.00 100.00 3.26e-149 DBJ BAI46204 "interferon (alpha, beta and omega) receptor 2 [synthetic construct]" 99.06 515 100.00 100.00 3.26e-149 EMBL CAA54785 "interferon alpha/beta receptor [Homo sapiens]" 99.06 331 100.00 100.00 8.35e-152 EMBL CAA61914 "interferon alpha /beta receptor [Homo sapiens]" 99.06 515 100.00 100.00 2.65e-149 EMBL CAA61940 "soluble IFN alpha/beta receptor [Homo sapiens]" 100.00 239 100.00 100.00 2.57e-154 EMBL CAG46616 "IFNAR2 [Homo sapiens]" 99.06 331 100.00 100.00 9.52e-152 EMBL CDG37809 "interferon (alpha, beta and omega) receptor 2, partial [Homo sapiens]" 92.92 248 100.00 100.00 8.73e-142 GB AAB46413 "interferon receptor [Homo sapiens]" 99.06 515 100.00 100.00 3.26e-149 GB AAB46414 "interferon receptor [Homo sapiens]" 100.00 239 100.00 100.00 2.93e-154 GB AAB46415 "interferon receptor [Homo sapiens]" 99.06 331 100.00 100.00 9.52e-152 GB AAB46417 "interferon receptor [Homo sapiens]" 99.06 331 100.00 100.00 9.52e-152 GB AAB46418 "interferon receptor [Homo sapiens]" 100.00 239 100.00 100.00 2.93e-154 REF NP_000865 "interferon alpha/beta receptor 2 isoform b [Homo sapiens]" 99.06 331 100.00 100.00 9.52e-152 REF NP_001276054 "interferon alpha/beta receptor 2 isoform a [Homo sapiens]" 99.06 515 100.00 100.00 3.26e-149 REF NP_001276055 "interferon alpha/beta receptor 2 isoform c [Homo sapiens]" 100.00 239 100.00 100.00 2.93e-154 REF NP_001276057 "interferon alpha/beta receptor 2 isoform c [Homo sapiens]" 100.00 239 100.00 100.00 2.93e-154 REF NP_997467 "interferon alpha/beta receptor 2 isoform b [Homo sapiens]" 99.06 331 100.00 100.00 9.52e-152 SP P48551 "RecName: Full=Interferon alpha/beta receptor 2; Short=IFN-R-2; Short=IFN-alpha binding protein; Short=IFN-alpha/beta receptor 2" 99.06 515 100.00 100.00 3.26e-149 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli Rosetta pTZT7U18 $entity_2 'recombinant technology' . Escherichia coli Rosetta pTZT7U18 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.25 mM '[U-2H; NA-H,F,W,Y]' $entity_2 0.25 mM '[U-2H; NA-V,L,T,M,A,K]' TRIS 25 mM [U-2H] 'sodium azide' 0.02 % 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.25 mM '[U-2H; NA-K,R,L,A,M]' $entity_2 0.25 mM '[U-2H; NA-H,F,W]' TRIS 25 mM [U-2H] 'sodium azide' 0.02 % 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.25 mM '[U-2H; NA-L]' $entity_2 0.25 mM '[U-2H; NA-H,W]' TRIS 25 mM [U-2H] 'sodium azide' 0.02 % 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.25 mM 'natural abundance' $entity_2 0.25 mM [U-15N] TRIS 25 mM [U-2H] 'sodium azide' 0.02 % 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.25 mM [U-15N] $entity_2 0.25 mM 'natural abundance' TRIS 25 mM [U-2H] 'sodium azide' 0.02 % 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ save_15N-separated_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-separated NOESY' _Sample_label $sample_4 save_ save_15N-separated_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-separated NOESY' _Sample_label $sample_5 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 8.0 . pH pressure 1 . atm temperature 308 . 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 water H 1 protons ppm 4.7 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 $sample_5 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 3 LEU HA H 4.446 0.05 1 2 3 3 LEU HB2 H 1.556 0.05 2 3 3 3 LEU HD1 H 0.633 0.05 2 4 3 3 LEU HG H 1.556 0.05 1 5 3 3 LEU N N 125.184 0.3 1 6 5 5 GLN HA H 4.382 0.05 1 7 5 5 GLN N N 122.352 0.3 1 8 6 6 THR HA H 4.144 0.05 1 9 6 6 THR HB H 4.144 0.05 1 10 6 6 THR HG2 H 1.253 0.05 1 11 6 6 THR N N 110.190 0.3 1 12 8 8 SER HA H 4.378 0.05 1 13 8 8 SER N N 119.227 0.3 1 14 12 12 ARG HA H 3.973 0.05 1 15 12 12 ARG N N 122.430 0.3 1 16 20 20 GLN HA H 3.920 0.05 1 17 20 20 GLN HB2 H 2.177 0.05 2 18 20 20 GLN HB3 H 2.000 0.05 2 19 20 20 GLN HG2 H 2.360 0.05 2 20 20 20 GLN HG3 H 2.584 0.05 2 21 20 20 GLN N N 118.102 0.3 1 22 22 22 ARG HA H 3.908 0.05 1 23 22 22 ARG N N 115.711 0.3 1 24 24 24 ILE HA H 4.572 0.05 1 25 24 24 ILE HD1 H 0.709 0.05 1 26 24 24 ILE HG12 H 1.271 0.05 9 27 24 24 ILE HG13 H 1.964 0.05 9 28 24 24 ILE HG2 H 0.910 0.05 1 29 24 24 ILE N N 117.715 0.3 1 30 25 25 SER HA H 4.637 0.05 1 31 25 25 SER HB2 H 3.913 0.05 2 32 25 25 SER HB3 H 4.106 0.05 2 33 25 25 SER N N 116.414 0.3 1 34 26 26 LEU HA H 3.823 0.05 1 35 26 26 LEU HB2 H 1.700 0.05 2 36 26 26 LEU HD1 H 0.767 0.05 2 37 26 26 LEU HG H 1.507 0.05 1 38 26 26 LEU N N 126.024 0.3 1 39 27 27 PHE HB2 H 2.811 0.05 2 40 27 27 PHE HD1 H 6.941 0.05 3 41 27 27 PHE N N 119.471 0.3 1 42 28 28 SER HB2 H 3.916 0.05 2 43 28 28 SER HB3 H 3.916 0.05 2 44 28 28 SER N N 112.898 0.3 1 45 29 29 CYS HA H 5.133 0.05 1 46 29 29 CYS HB2 H 3.517 0.05 2 47 29 29 CYS N N 117.586 0.3 1 48 30 30 LEU HD1 H 0.627 0.05 2 49 30 30 LEU HD2 H 0.766 0.05 2 50 30 30 LEU HG H 1.775 0.05 1 51 30 30 LEU N N 121.076 0.3 1 52 32 32 ASP HA H 4.806 0.05 1 53 32 32 ASP HB2 H 2.384 0.05 2 54 32 32 ASP HB3 H 2.724 0.05 2 55 32 32 ASP N N 118.824 0.3 1 56 33 33 ARG HG2 H 1.812 0.05 2 57 33 33 ARG N N 119.774 0.3 1 58 34 34 HIS HB2 H 2.686 0.05 2 59 34 34 HIS N N 120.399 0.3 1 60 36 36 PHE HD1 H 7.028 0.05 3 61 36 36 PHE N N 125.424 0.3 1 62 37 37 GLY HA2 H 3.989 0.05 2 63 37 37 GLY HA3 H 3.670 0.05 2 64 37 37 GLY N N 110.593 0.3 1 65 38 38 PHE HA H 3.965 0.05 1 66 38 38 PHE HB2 H 3.044 0.05 2 67 38 38 PHE HB3 H 2.670 0.05 2 68 38 38 PHE N N 123.341 0.3 1 69 42 42 GLU HA H 4.124 0.05 1 70 42 42 GLU HG2 H 2.228 0.05 2 71 42 42 GLU N N 118.133 0.3 1 72 43 43 PHE HA H 4.511 0.05 1 73 43 43 PHE HB2 H 3.377 0.05 2 74 43 43 PHE HB3 H 2.716 0.05 2 75 43 43 PHE HZ H 7.087 0.05 1 76 43 43 PHE N N 115.589 0.3 1 77 44 44 GLY HA2 H 4.063 0.05 2 78 44 44 GLY HA3 H 3.920 0.05 2 79 44 44 GLY N N 126.805 0.3 1 80 47 47 PHE HB2 H 2.881 0.05 2 81 47 47 PHE HB3 H 3.184 0.05 2 82 47 47 PHE HZ H 7.205 0.05 1 83 47 47 PHE N N 119.934 0.3 1 84 48 48 GLN HB2 H 1.941 0.05 2 85 48 48 GLN HB3 H 2.256 0.05 2 86 48 48 GLN HG2 H 2.383 0.05 2 87 48 48 GLN N N 120.633 0.3 1 88 53 53 ILE HB H 2.205 0.05 1 89 53 53 ILE HD1 H 0.890 0.05 1 90 53 53 ILE N N 123.602 0.3 1 91 55 55 VAL HA H 3.644 0.05 1 92 55 55 VAL HB H 2.110 0.05 1 93 55 55 VAL HG1 H 0.650 0.05 2 94 55 55 VAL HG2 H 0.882 0.05 2 95 55 55 VAL N N 117.332 0.3 1 96 56 56 LEU HA H 4.270 0.05 1 97 56 56 LEU HB2 H 2.051 0.05 2 98 56 56 LEU HD1 H 0.876 0.05 2 99 56 56 LEU N N 122.560 0.3 1 100 57 57 HIS HA H 3.868 0.05 1 101 57 57 HIS N N 118.523 0.3 1 102 58 58 GLU HA H 4.116 0.05 1 103 58 58 GLU HB2 H 2.228 0.05 2 104 58 58 GLU N N 118.211 0.3 1 105 59 59 MET HB2 H 2.555 0.05 2 106 59 59 MET N N 118.367 0.3 1 107 60 60 ILE HA H 3.567 0.05 1 108 60 60 ILE HD1 H 0.821 0.05 1 109 60 60 ILE HG12 H 1.826 0.05 9 110 60 60 ILE HG13 H 1.343 0.05 9 111 60 60 ILE N N 117.938 0.3 1 112 61 61 GLN HA H 3.828 0.05 1 113 61 61 GLN N N 120.633 0.3 1 114 62 62 GLN HA H 3.646 0.05 1 115 62 62 GLN HB2 H 1.041 0.05 2 116 62 62 GLN HG2 H 1.960 0.05 2 117 62 62 GLN HG3 H 2.585 0.05 2 118 62 62 GLN N N 117.586 0.3 1 119 63 63 ILE HA H 3.643 0.05 1 120 63 63 ILE HB H 2.021 0.05 1 121 63 63 ILE HD1 H 0.937 0.05 1 122 63 63 ILE N N 122.899 0.3 1 123 64 64 PHE HA H 3.777 0.05 1 124 64 64 PHE HB2 H 2.822 0.05 2 125 64 64 PHE HB3 H 3.316 0.05 2 126 64 64 PHE HE1 H 6.857 0.05 3 127 64 64 PHE N N 121.050 0.3 1 128 65 65 ASN HA H 4.173 0.05 1 129 65 65 ASN HB2 H 2.838 0.05 2 130 65 65 ASN N N 119.617 0.3 1 131 66 66 LEU HA H 4.260 0.05 1 132 66 66 LEU HB2 H 1.990 0.05 2 133 66 66 LEU HD1 H 0.910 0.05 2 134 66 66 LEU HG H 1.307 0.05 1 135 66 66 LEU N N 122.000 0.3 1 136 67 67 PHE HB2 H 3.016 0.05 2 137 67 67 PHE HB3 H 3.368 0.05 2 138 67 67 PHE HD1 H 7.419 0.05 3 139 67 67 PHE HZ H 6.844 0.05 1 140 67 67 PHE N N 111.726 0.3 1 141 68 68 SER HA H 4.667 0.05 1 142 68 68 SER HB2 H 3.734 0.05 2 143 68 68 SER HB3 H 3.287 0.05 2 144 68 68 SER N N 118.888 0.3 1 145 69 69 THR HA H 4.397 0.05 1 146 69 69 THR HB H 4.663 0.05 1 147 69 69 THR HG2 H 1.572 0.05 1 148 69 69 THR N N 111.935 0.3 1 149 73 73 SER HA H 4.109 0.05 1 150 73 73 SER HB2 H 3.924 0.05 2 151 73 73 SER N N 113.523 0.3 1 152 74 74 ALA HA H 4.124 0.05 1 153 74 74 ALA HB H 1.246 0.05 1 154 74 74 ALA N N 120.008 0.3 1 155 75 75 ALA HA H 3.712 0.05 1 156 75 75 ALA HB H -0.412 0.05 1 157 75 75 ALA N N 121.727 0.3 1 158 76 76 TRP HA H 5.116 0.05 1 159 76 76 TRP HB2 H 2.677 0.05 2 160 76 76 TRP HB3 H 3.031 0.05 2 161 76 76 TRP N N 115.658 0.3 1 162 77 77 ASP HA H 4.169 0.05 1 163 77 77 ASP HB2 H 2.684 0.05 2 164 77 77 ASP HB3 H 2.554 0.05 2 165 77 77 ASP N N 118.055 0.3 1 166 78 78 GLU HA H 3.911 0.05 1 167 78 78 GLU HB2 H 2.122 0.05 2 168 78 78 GLU HG2 H 2.648 0.05 2 169 78 78 GLU N N 126.883 0.3 1 170 79 79 THR HA H 3.913 0.05 1 171 79 79 THR HB H 4.287 0.05 1 172 79 79 THR HG2 H 1.209 0.05 1 173 79 79 THR N N 117.430 0.3 1 174 80 80 LEU HA H 3.914 0.05 1 175 80 80 LEU HB2 H 1.880 0.05 2 176 80 80 LEU HB3 H 1.214 0.05 2 177 80 80 LEU HD1 H 0.750 0.05 2 178 80 80 LEU HG H 1.666 0.05 1 179 80 80 LEU N N 122.664 0.3 1 180 81 81 LEU HA H 3.562 0.05 1 181 81 81 LEU HB2 H 1.366 0.05 2 182 81 81 LEU HD1 H 0.879 0.05 2 183 81 81 LEU HD2 H 0.767 0.05 2 184 81 81 LEU HG H 1.493 0.05 1 185 81 81 LEU N N 118.914 0.3 1 186 82 82 ASP HA H 4.313 0.05 1 187 82 82 ASP HB2 H 2.733 0.05 2 188 82 82 ASP N N 116.883 0.3 1 189 83 83 LYS HA H 3.979 0.05 1 190 83 83 LYS HB2 H 1.883 0.05 2 191 83 83 LYS HB3 H 1.694 0.05 2 192 83 83 LYS HG2 H 1.510 0.05 2 193 83 83 LYS N N 118.582 0.3 1 194 84 84 PHE HA H 3.982 0.05 1 195 84 84 PHE HB2 H 3.052 0.05 2 196 84 84 PHE HB3 H 2.723 0.05 2 197 84 84 PHE HD1 H 6.602 0.05 3 198 84 84 PHE N N 123.758 0.3 1 199 85 85 TYR HA H 3.987 0.05 1 200 85 85 TYR HB2 H 3.303 0.05 2 201 85 85 TYR HD1 H 6.890 0.05 3 202 85 85 TYR HE1 H 6.601 0.05 3 203 85 85 TYR N N 119.101 0.3 1 204 86 86 THR HA H 3.982 0.05 1 205 86 86 THR HB H 4.349 0.05 1 206 86 86 THR HG2 H 1.228 0.05 1 207 86 86 THR N N 114.695 0.3 1 208 87 87 GLU HA H 4.028 0.05 1 209 87 87 GLU HB2 H 1.982 0.05 2 210 87 87 GLU HB3 H 1.785 0.05 2 211 87 87 GLU HG2 H 2.301 0.05 2 212 87 87 GLU N N 121.024 0.3 1 213 88 88 LEU HA H 3.774 0.05 1 214 88 88 LEU HB2 H 1.717 0.05 2 215 88 88 LEU HD1 H 0.293 0.05 2 216 88 88 LEU HG H 0.977 0.05 1 217 88 88 LEU N N 120.399 0.3 1 218 89 89 TYR HA H 4.020 0.05 1 219 89 89 TYR HB2 H 3.033 0.05 2 220 89 89 TYR HD1 H 6.924 0.05 3 221 89 89 TYR N N 118.799 0.3 1 222 90 90 GLN HA H 3.969 0.05 1 223 90 90 GLN N N 118.914 0.3 1 224 92 92 LEU HB2 H 1.482 0.05 2 225 92 92 LEU HD1 H 0.433 0.05 2 226 92 92 LEU N N 119.578 0.3 1 227 95 95 LEU HA H 4.030 0.05 1 228 95 95 LEU HB2 H 2.009 0.05 2 229 95 95 LEU HD1 H 0.873 0.05 2 230 95 95 LEU N N 119.383 0.3 1 231 97 97 ALA HA H 4.158 0.05 1 232 97 97 ALA HB H 1.517 0.05 1 233 97 97 ALA N N 120.008 0.3 1 234 98 98 CYS HA H 4.508 0.05 1 235 98 98 CYS HB2 H 3.219 0.05 2 236 98 98 CYS HB3 H 3.383 0.05 2 237 98 98 CYS N N 115.346 0.3 1 238 99 99 VAL HA H 3.857 0.05 1 239 99 99 VAL HB H 2.075 0.05 1 240 99 99 VAL HG1 H 0.829 0.05 2 241 99 99 VAL N N 120.945 0.3 1 242 100 100 ILE HA H 4.006 0.05 1 243 100 100 ILE HD1 H 0.843 0.05 1 244 100 100 ILE HG12 H 1.201 0.05 9 245 100 100 ILE HG13 H 1.504 0.05 9 246 100 100 ILE N N 121.942 0.3 1 247 101 101 GLN HA H 4.190 0.05 1 248 101 101 GLN HB2 H 2.054 0.05 2 249 101 101 GLN N N 121.922 0.3 1 250 102 102 GLY HA2 H 3.964 0.05 2 251 102 102 GLY N N 108.601 0.3 1 252 103 103 VAL HA H 4.096 0.05 1 253 103 103 VAL HB H 2.085 0.05 1 254 103 103 VAL HG1 H 0.921 0.05 2 255 103 103 VAL N N 119.852 0.3 1 256 104 104 GLY H H 12.346 0.05 1 257 104 104 GLY HA2 H 4.116 0.05 2 258 104 104 GLY HA3 H 3.930 0.05 2 259 104 104 GLY N N 112.508 0.3 1 260 105 105 VAL HA H 4.148 0.05 1 261 105 105 VAL HB H 2.111 0.05 1 262 105 105 VAL HG1 H 0.881 0.05 2 263 105 105 VAL N N 118.836 0.3 1 264 106 106 THR HB H 4.151 0.05 1 265 106 106 THR N N 115.945 0.3 1 266 108 108 THR HA H 4.471 0.05 1 267 108 108 THR HG2 H 1.211 0.05 1 268 108 108 THR N N 116.674 0.3 1 269 114 114 ASP HA H 4.410 0.05 1 270 114 114 ASP HB2 H 2.673 0.05 2 271 114 114 ASP N N 118.758 0.3 1 272 115 115 SER HA H 4.099 0.05 1 273 115 115 SER HB2 H 3.759 0.05 2 274 115 115 SER N N 119.266 0.3 1 275 116 116 ILE H H 1.955 0.05 1 276 116 116 ILE HA H 3.596 0.05 1 277 116 116 ILE HB H 2.021 0.05 1 278 116 116 ILE HD1 H 0.790 0.05 1 279 116 116 ILE HG12 H 1.705 0.05 9 280 116 116 ILE N N 121.935 0.3 1 281 117 117 LEU HA H 4.028 0.05 1 282 117 117 LEU HB2 H 2.019 0.05 2 283 117 117 LEU HB3 H 1.720 0.05 2 284 117 117 LEU HD1 H 0.921 0.05 2 285 117 117 LEU HD2 H 0.805 0.05 2 286 117 117 LEU N N 120.680 0.3 1 287 118 118 ALA HA H 4.130 0.05 1 288 118 118 ALA HB H 1.706 0.05 1 289 118 118 ALA N N 121.805 0.3 1 290 119 119 VAL HA H 3.837 0.05 1 291 119 119 VAL HB H 2.554 0.05 1 292 119 119 VAL HG1 H 1.222 0.05 2 293 119 119 VAL N N 120.034 0.3 1 294 120 120 ARG HA H 4.076 0.05 1 295 120 120 ARG HB2 H 2.208 0.05 2 296 120 120 ARG HG2 H 2.026 0.05 2 297 120 120 ARG N N 121.961 0.3 1 298 121 121 LYS HA H 4.115 0.05 1 299 121 121 LYS HB2 H 2.017 0.05 2 300 121 121 LYS N N 120.516 0.3 1 301 122 122 TYR HA H 4.281 0.05 1 302 122 122 TYR HB2 H 3.747 0.05 2 303 122 122 TYR HB3 H 2.594 0.05 2 304 122 122 TYR N N 122.117 0.3 1 305 123 123 PHE HA H 3.754 0.05 1 306 123 123 PHE HB2 H 3.154 0.05 2 307 123 123 PHE N N 116.492 0.3 1 308 124 124 GLN HA H 4.228 0.05 1 309 124 124 GLN HB2 H 2.324 0.05 2 310 124 124 GLN HE21 H 7.585 0.05 2 311 124 124 GLN HE22 H 8.076 0.05 2 312 124 124 GLN HG2 H 2.585 0.05 2 313 124 124 GLN N N 122.854 0.3 1 314 125 125 ARG HA H 4.107 0.05 1 315 125 125 ARG HB2 H 2.227 0.05 2 316 125 125 ARG N N 120.529 0.3 1 317 126 126 ILE HB H 1.703 0.05 1 318 126 126 ILE HG12 H 0.872 0.05 9 319 126 126 ILE N N 121.649 0.3 1 320 127 127 THR HA H 3.725 0.05 1 321 127 127 THR HB H 4.254 0.05 1 322 127 127 THR HG2 H 1.293 0.05 1 323 127 127 THR N N 115.320 0.3 1 324 128 128 LEU HA H 3.977 0.05 1 325 128 128 LEU HB2 H 1.676 0.05 2 326 128 128 LEU HD1 H 0.873 0.05 2 327 128 128 LEU N N 123.107 0.3 1 328 129 129 TYR HA H 4.073 0.05 1 329 129 129 TYR N N 121.727 0.3 1 330 130 130 LEU HA H 2.889 0.05 1 331 130 130 LEU HB2 H 1.342 0.05 2 332 130 130 LEU HD1 H 0.036 0.05 2 333 130 130 LEU HD2 H -0.467 0.05 2 334 130 130 LEU HG H 1.184 0.05 1 335 130 130 LEU N N 119.820 0.3 1 336 131 131 LYS HA H 3.478 0.05 1 337 131 131 LYS HD2 H 1.805 0.05 2 338 131 131 LYS HE2 H 2.899 0.05 2 339 131 131 LYS HG2 H -0.746 0.05 2 340 131 131 LYS N N 117.983 0.3 1 341 132 132 GLU HA H 3.826 0.05 1 342 132 132 GLU HB2 H 1.830 0.05 2 343 132 132 GLU HB3 H 2.034 0.05 2 344 132 132 GLU HG2 H 2.231 0.05 2 345 132 132 GLU N N 123.114 0.3 1 346 133 133 LYS HA H 3.961 0.05 1 347 133 133 LYS HB2 H 1.095 0.05 2 348 133 133 LYS HD2 H 0.735 0.05 2 349 133 133 LYS HD3 H 0.375 0.05 2 350 133 133 LYS HG2 H 1.307 0.05 2 351 133 133 LYS N N 116.289 0.3 1 352 134 134 LYS HA H 3.635 0.05 1 353 134 134 LYS HB2 H 1.917 0.05 2 354 134 134 LYS HB3 H 1.670 0.05 2 355 134 134 LYS HE2 H 2.946 0.05 2 356 134 134 LYS HG2 H 1.290 0.05 2 357 134 134 LYS N N 118.195 0.3 1 358 135 135 TYR HA H 3.306 0.05 1 359 135 135 TYR HB2 H 2.920 0.05 2 360 135 135 TYR HD1 H 6.702 0.05 3 361 135 135 TYR HE1 H 6.559 0.05 3 362 135 135 TYR N N 110.878 0.3 1 363 136 136 SER HA H 4.561 0.05 1 364 136 136 SER HB2 H 4.371 0.05 2 365 136 136 SER HB3 H 3.975 0.05 2 366 136 136 SER N N 113.992 0.3 1 367 138 138 CYS HA H 4.724 0.05 1 368 138 138 CYS HB2 H 2.928 0.05 2 369 138 138 CYS HB3 H 2.734 0.05 2 370 138 138 CYS N N 112.976 0.3 1 371 139 139 ALA HA H 4.609 0.05 1 372 139 139 ALA HB H 1.113 0.05 1 373 139 139 ALA N N 125.985 0.3 1 374 140 140 TRP H H 17.315 0.05 1 375 140 140 TRP HA H 4.683 0.05 1 376 140 140 TRP HB2 H 2.881 0.05 2 377 140 140 TRP HB3 H 3.429 0.05 2 378 140 140 TRP HD1 H 6.798 0.05 1 379 140 140 TRP HE1 H 8.106 0.05 1 380 140 140 TRP N N 117.195 0.3 1 381 142 142 VAL HB H 2.743 0.05 1 382 142 142 VAL HG1 H 0.859 0.05 2 383 142 142 VAL N N 120.360 0.3 1 384 143 143 VAL HB H 2.373 0.05 1 385 143 143 VAL HG1 H 0.889 0.05 2 386 143 143 VAL N N 121.727 0.3 1 387 144 144 ARG HB2 H 2.322 0.05 2 388 144 144 ARG HB3 H 2.187 0.05 2 389 144 144 ARG N N 123.133 0.3 1 390 145 145 ALA HA H 3.814 0.05 1 391 145 145 ALA HB H 1.401 0.05 1 392 145 145 ALA N N 119.656 0.3 1 393 146 146 GLU HA H 4.305 0.05 1 394 146 146 GLU HB2 H 2.061 0.05 2 395 146 146 GLU N N 122.703 0.3 1 396 147 147 ILE HA H 3.950 0.05 1 397 147 147 ILE HB H 2.238 0.05 1 398 147 147 ILE HD1 H 0.790 0.05 1 399 147 147 ILE HG12 H 1.611 0.05 9 400 147 147 ILE HG2 H 0.893 0.05 1 401 147 147 ILE N N 120.190 0.3 1 402 149 149 ARG HB2 H 2.031 0.05 2 403 149 149 ARG HB3 H 2.219 0.05 2 404 149 149 ARG N N 119.656 0.3 1 405 151 151 PHE HB2 H 2.903 0.05 2 406 151 151 PHE HE1 H 6.815 0.05 3 407 151 151 PHE N N 125.633 0.3 1 408 152 152 SER HA H 3.904 0.05 1 409 152 152 SER N N 116.336 0.3 1 410 154 154 SER HA H 3.897 0.05 1 411 154 154 SER HB2 H 3.184 0.05 2 412 154 154 SER N N 113.250 0.3 1 413 156 156 ASN HA H 4.709 0.05 1 414 156 156 ASN HB2 H 2.849 0.05 2 415 156 156 ASN HD21 H 6.891 0.05 2 416 156 156 ASN N N 121.203 0.3 1 417 158 158 GLN HA H 4.215 0.05 1 418 158 158 GLN HB2 H 2.064 0.05 2 419 158 158 GLN HG2 H 2.333 0.05 2 420 158 158 GLN N N 119.904 0.3 1 421 159 159 GLU HA H 4.252 0.05 1 422 159 159 GLU HB2 H 2.050 0.05 2 423 159 159 GLU HG2 H 2.292 0.05 2 424 159 159 GLU N N 121.336 0.3 1 425 160 160 SER HA H 4.369 0.05 1 426 160 160 SER HB2 H 3.867 0.05 2 427 160 160 SER N N 116.297 0.3 1 428 161 161 LEU HA H 4.356 0.05 1 429 161 161 LEU HB2 H 1.653 0.05 2 430 161 161 LEU HD1 H 0.818 0.05 2 431 161 161 LEU N N 123.341 0.3 1 432 162 162 ARG HA H 4.305 0.05 1 433 162 162 ARG HB2 H 1.799 0.05 2 434 162 162 ARG HB3 H 1.641 0.05 2 435 162 162 ARG N N 120.945 0.3 1 436 164 164 LYS HB2 H 1.888 0.05 2 437 164 164 LYS HB3 H 1.692 0.05 2 438 164 164 LYS HG2 H 1.410 0.05 2 439 164 164 LYS N N 123.993 0.3 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 $sample_5 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_2 _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 3 3 ASP H H 8.245 0.05 1 2 3 3 ASP HA H 4.560 0.05 1 3 3 3 ASP HB2 H 2.540 0.05 2 4 3 3 ASP HB3 H 2.540 0.05 2 5 3 3 ASP N N 121.115 0.3 1 6 4 4 SER H H 7.981 0.05 1 7 4 4 SER HA H 4.589 0.05 1 8 4 4 SER HB2 H 3.813 0.05 2 9 4 4 SER HB3 H 3.813 0.05 2 10 4 4 SER N N 116.539 0.3 1 11 5 5 PRO HA H 4.427 0.05 1 12 5 5 PRO HB2 H 1.781 0.05 2 13 5 5 PRO HB3 H 2.173 0.05 2 14 5 5 PRO HD2 H 3.748 0.05 2 15 5 5 PRO HD3 H 3.748 0.05 2 16 5 5 PRO HG2 H 1.956 0.05 2 17 5 5 PRO HG3 H 1.956 0.05 2 18 6 6 ASP H H 8.235 0.05 1 19 6 6 ASP HA H 4.573 0.05 1 20 6 6 ASP HB2 H 2.535 0.05 2 21 6 6 ASP HB3 H 2.623 0.05 2 22 6 6 ASP N N 119.494 0.3 1 23 7 7 TYR H H 8.018 0.05 1 24 7 7 TYR HA H 4.629 0.05 1 25 7 7 TYR HB2 H 2.994 0.05 2 26 7 7 TYR HD1 H 7.045 0.05 3 27 7 7 TYR HD2 H 7.045 0.05 3 28 7 7 TYR HE1 H 6.765 0.05 3 29 7 7 TYR HE2 H 6.765 0.05 3 30 7 7 TYR N N 120.447 0.3 1 31 8 8 THR H H 8.138 0.05 1 32 8 8 THR HA H 4.429 0.05 1 33 8 8 THR HB H 4.247 0.05 1 34 8 8 THR HG2 H 1.101 0.05 1 35 8 8 THR N N 115.300 0.3 1 36 9 9 ASP H H 8.433 0.05 1 37 9 9 ASP HA H 4.717 0.05 1 38 9 9 ASP HB2 H 2.787 0.05 2 39 9 9 ASP N N 122.830 0.3 1 40 10 10 GLU H H 8.368 0.05 1 41 10 10 GLU HA H 4.537 0.05 1 42 10 10 GLU HB2 H 2.188 0.05 2 43 10 10 GLU HB3 H 1.902 0.05 2 44 10 10 GLU HG2 H 2.313 0.05 2 45 10 10 GLU HG3 H 2.313 0.05 2 46 10 10 GLU N N 120.257 0.3 1 47 11 11 SER HB2 H 3.650 0.05 2 48 11 11 SER HB3 H 3.650 0.05 2 49 12 12 CYS H H 7.963 0.05 1 50 12 12 CYS HA H 4.882 0.05 1 51 12 12 CYS HB2 H 2.434 0.05 2 52 12 12 CYS HB3 H 2.739 0.05 2 53 12 12 CYS N N 118.446 0.3 1 54 13 13 THR H H 8.483 0.05 1 55 13 13 THR HA H 4.491 0.05 1 56 13 13 THR HB H 3.871 0.05 1 57 13 13 THR HG2 H 1.080 0.05 1 58 13 13 THR N N 116.539 0.3 1 59 14 14 PHE H H 9.012 0.05 1 60 14 14 PHE HA H 5.609 0.05 1 61 14 14 PHE HB2 H 2.809 0.05 2 62 14 14 PHE HB3 H 3.243 0.05 2 63 14 14 PHE HD1 H 7.243 0.05 3 64 14 14 PHE HD2 H 7.243 0.05 3 65 14 14 PHE HE1 H 7.053 0.05 3 66 14 14 PHE HE2 H 7.053 0.05 3 67 14 14 PHE N N 122.631 0.3 1 68 15 15 LYS H H 8.900 0.05 1 69 15 15 LYS HA H 4.638 0.05 1 70 15 15 LYS HB2 H 1.635 0.05 2 71 15 15 LYS HB3 H 1.635 0.05 2 72 15 15 LYS HD2 H 1.635 0.05 2 73 15 15 LYS HE2 H 3.119 0.05 2 74 15 15 LYS HE3 H 3.119 0.05 2 75 15 15 LYS HG2 H 1.270 0.05 2 76 15 15 LYS HG3 H 1.270 0.05 2 77 15 15 LYS N N 120.780 0.3 1 78 16 16 ILE H H 9.074 0.05 1 79 16 16 ILE HA H 5.297 0.05 1 80 16 16 ILE HB H 1.261 0.05 1 81 16 16 ILE HD1 H 0.491 0.05 1 82 16 16 ILE HG12 H 0.939 0.05 9 83 16 16 ILE HG13 H 1.261 0.05 9 84 16 16 ILE HG2 H 0.832 0.05 1 85 16 16 ILE N N 123.601 0.3 1 86 17 17 SER H H 8.542 0.05 1 87 17 17 SER HA H 4.933 0.05 1 88 17 17 SER HB2 H 3.319 0.05 2 89 17 17 SER HB3 H 3.471 0.05 2 90 17 17 SER N N 121.401 0.3 1 91 18 18 LEU H H 8.679 0.05 1 92 18 18 LEU HA H 4.981 0.05 1 93 18 18 LEU HB2 H 1.219 0.05 2 94 18 18 LEU HB3 H 1.938 0.05 2 95 18 18 LEU HD1 H 0.692 0.05 2 96 18 18 LEU HD2 H 0.873 0.05 2 97 18 18 LEU HG H 0.984 0.05 1 98 18 18 LEU N N 125.023 0.3 1 99 19 19 ARG H H 9.219 0.05 1 100 19 19 ARG HA H 4.472 0.05 1 101 19 19 ARG HB2 H 1.392 0.05 2 102 19 19 ARG HB3 H 1.392 0.05 2 103 19 19 ARG HG2 H 1.793 0.05 2 104 19 19 ARG HG3 H 1.793 0.05 2 105 19 19 ARG N N 129.851 0.3 1 106 20 20 ASN H H 9.499 0.05 1 107 20 20 ASN HA H 4.170 0.05 1 108 20 20 ASN HB2 H 2.682 0.05 2 109 20 20 ASN HB3 H 2.983 0.05 2 110 20 20 ASN N N 129.639 0.3 1 111 21 21 PHE H H 8.323 0.05 1 112 21 21 PHE HA H 3.458 0.05 1 113 21 21 PHE HB2 H 3.292 0.05 2 114 21 21 PHE HB3 H 3.292 0.05 2 115 21 21 PHE HD1 H 7.098 0.05 3 116 21 21 PHE HD2 H 7.098 0.05 3 117 21 21 PHE HZ H 7.275 0.05 1 118 21 21 PHE N N 129.789 0.3 1 119 22 22 ARG H H 7.626 0.05 1 120 22 22 ARG HA H 4.900 0.05 1 121 22 22 ARG HB2 H 1.773 0.05 2 122 22 22 ARG HB3 H 1.773 0.05 2 123 22 22 ARG HD2 H 3.190 0.05 2 124 22 22 ARG HD3 H 3.190 0.05 2 125 22 22 ARG N N 117.683 0.3 1 126 23 23 SER H H 8.746 0.05 1 127 23 23 SER HA H 4.465 0.05 1 128 23 23 SER HB2 H 3.284 0.05 2 129 23 23 SER HB3 H 3.456 0.05 2 130 23 23 SER N N 121.496 0.3 1 131 24 24 ILE H H 9.086 0.05 1 132 24 24 ILE HA H 4.468 0.05 1 133 24 24 ILE HB H 1.828 0.05 1 134 24 24 ILE HD1 H 0.683 0.05 1 135 24 24 ILE HG12 H 1.011 0.05 9 136 24 24 ILE HG13 H 1.398 0.05 9 137 24 24 ILE HG2 H 0.527 0.05 1 138 24 24 ILE N N 126.317 0.3 1 139 25 25 LEU H H 8.692 0.05 1 140 25 25 LEU HA H 5.156 0.05 1 141 25 25 LEU HB2 H 0.925 0.05 2 142 25 25 LEU HB3 H 1.754 0.05 2 143 25 25 LEU HD1 H 0.925 0.05 2 144 25 25 LEU HD2 H 0.925 0.05 2 145 25 25 LEU N N 132.839 0.3 1 146 26 26 SER H H 9.650 0.05 1 147 26 26 SER HA H 4.855 0.05 1 148 26 26 SER HB2 H 3.479 0.05 2 149 26 26 SER HB3 H 3.777 0.05 2 150 26 26 SER N N 121.630 0.3 1 151 27 27 TRP H H 7.245 0.05 1 152 27 27 TRP HA H 5.606 0.05 1 153 27 27 TRP HB2 H 2.987 0.05 2 154 27 27 TRP HB3 H 2.080 0.05 2 155 27 27 TRP HE3 H 7.026 0.05 1 156 27 27 TRP N N 115.552 0.3 1 157 28 28 GLU H H 8.216 0.05 1 158 28 28 GLU HA H 4.495 0.05 1 159 28 28 GLU HB2 H 1.675 0.05 2 160 28 28 GLU HB3 H 1.875 0.05 2 161 28 28 GLU HG2 H 2.070 0.05 2 162 28 28 GLU HG3 H 2.070 0.05 2 163 28 28 GLU N N 117.302 0.3 1 164 29 29 LEU H H 8.674 0.05 1 165 29 29 LEU HA H 4.676 0.05 1 166 29 29 LEU HB2 H 1.272 0.05 2 167 29 29 LEU HB3 H 1.612 0.05 2 168 29 29 LEU HD1 H 0.547 0.05 2 169 29 29 LEU HD2 H 0.832 0.05 2 170 29 29 LEU HG H 1.612 0.05 1 171 29 29 LEU N N 123.402 0.3 1 172 30 30 LYS H H 8.134 0.05 1 173 30 30 LYS HA H 4.202 0.05 1 174 30 30 LYS HB2 H 1.566 0.05 2 175 30 30 LYS HB3 H 1.679 0.05 2 176 30 30 LYS HD2 H 1.679 0.05 2 177 30 30 LYS HD3 H 1.679 0.05 2 178 30 30 LYS HE2 H 2.885 0.05 2 179 30 30 LYS HE3 H 2.885 0.05 2 180 30 30 LYS HG2 H 1.156 0.05 2 181 30 30 LYS N N 121.591 0.3 1 182 31 31 ASN HB2 H 2.798 0.05 2 183 33 33 SER HA H 4.297 0.05 1 184 33 33 SER HB2 H 3.849 0.05 2 185 33 33 SER HB3 H 3.849 0.05 2 186 34 34 ILE H H 7.503 0.05 1 187 34 34 ILE HA H 4.195 0.05 1 188 34 34 ILE HB H 1.759 0.05 1 189 34 34 ILE HD1 H 0.820 0.05 1 190 34 34 ILE HG12 H 1.024 0.05 9 191 34 34 ILE HG13 H 1.024 0.05 9 192 34 34 ILE N N 121.210 0.3 1 193 35 35 VAL H H 8.394 0.05 1 194 35 35 VAL HA H 4.318 0.05 1 195 35 35 VAL HB H 1.756 0.05 1 196 35 35 VAL HG1 H 0.914 0.05 2 197 35 35 VAL HG2 H 0.914 0.05 2 198 35 35 VAL N N 126.548 0.3 1 199 36 36 PRO HA H 4.262 0.05 1 200 36 36 PRO HB2 H 1.346 0.05 2 201 36 36 PRO HD2 H 3.698 0.05 2 202 36 36 PRO HD3 H 3.698 0.05 2 203 36 36 PRO HG2 H 1.959 0.05 2 204 36 36 PRO HG3 H 1.959 0.05 2 205 37 37 THR H H 9.412 0.05 1 206 37 37 THR HA H 4.262 0.05 1 207 37 37 THR HB H 4.411 0.05 1 208 37 37 THR HG2 H 1.346 0.05 1 209 37 37 THR N N 112.040 0.3 1 210 38 38 HIS H H 7.301 0.05 1 211 38 38 HIS HA H 4.868 0.05 1 212 38 38 HIS HB2 H 2.455 0.05 2 213 38 38 HIS HB3 H 3.123 0.05 2 214 38 38 HIS HD2 H 6.578 0.05 1 215 38 38 HIS HE1 H 8.110 0.05 1 216 38 38 HIS N N 115.547 0.3 1 217 39 39 TYR H H 9.269 0.05 1 218 39 39 TYR HA H 5.755 0.05 1 219 39 39 TYR HB2 H 2.781 0.05 2 220 39 39 TYR HB3 H 2.977 0.05 2 221 39 39 TYR HD1 H 7.203 0.05 3 222 39 39 TYR HD2 H 7.203 0.05 3 223 39 39 TYR HE1 H 6.769 0.05 3 224 39 39 TYR HE2 H 6.769 0.05 3 225 39 39 TYR N N 116.248 0.3 1 226 40 40 THR H H 9.106 0.05 1 227 40 40 THR HA H 5.086 0.05 1 228 40 40 THR HB H 4.196 0.05 1 229 40 40 THR HG2 H 1.327 0.05 1 230 40 40 THR N N 116.476 0.3 1 231 41 41 LEU H H 8.035 0.05 1 232 41 41 LEU HA H 5.119 0.05 1 233 41 41 LEU HB2 H 1.143 0.05 2 234 41 41 LEU HB3 H 1.911 0.05 2 235 41 41 LEU HD1 H 0.839 0.05 2 236 41 41 LEU HD2 H 0.993 0.05 2 237 41 41 LEU HG H 1.561 0.05 1 238 41 41 LEU N N 128.740 0.3 1 239 42 42 LEU H H 9.455 0.05 1 240 42 42 LEU HA H 5.726 0.05 1 241 42 42 LEU HB2 H 1.558 0.05 2 242 42 42 LEU HB3 H 1.558 0.05 2 243 42 42 LEU HD1 H 0.824 0.05 2 244 42 42 LEU HD2 H 0.824 0.05 2 245 42 42 LEU HG H 1.558 0.05 1 246 42 42 LEU N N 125.474 0.3 1 247 43 43 TYR H H 9.106 0.05 1 248 43 43 TYR HA H 5.953 0.05 1 249 43 43 TYR HB2 H 3.527 0.05 2 250 43 43 TYR HB3 H 3.102 0.05 2 251 43 43 TYR HD1 H 7.192 0.05 3 252 43 43 TYR HD2 H 7.192 0.05 3 253 43 43 TYR HE1 H 6.944 0.05 3 254 43 43 TYR HE2 H 6.944 0.05 3 255 43 43 TYR N N 115.136 0.3 1 256 44 44 THR H H 9.306 0.05 1 257 44 44 THR HA H 4.551 0.05 1 258 44 44 THR HG2 H 1.059 0.05 1 259 44 44 THR N N 114.835 0.3 1 260 45 45 ILE H H 8.327 0.05 1 261 45 45 ILE HB H 1.873 0.05 1 262 45 45 ILE HD1 H 0.752 0.05 1 263 45 45 ILE HG12 H 1.089 0.05 9 264 45 45 ILE HG13 H 1.301 0.05 9 265 45 45 ILE HG2 H 0.752 0.05 1 266 45 45 ILE N N 114.538 0.3 1 267 51 51 ASP HA H 4.685 0.05 1 268 51 51 ASP HB2 H 2.448 0.05 2 269 51 51 ASP HB3 H 2.680 0.05 2 270 52 52 LEU H H 8.429 0.05 1 271 52 52 LEU HA H 3.877 0.05 1 272 52 52 LEU HB2 H 1.295 0.05 2 273 52 52 LEU HB3 H 1.634 0.05 2 274 52 52 LEU HD1 H 0.736 0.05 2 275 52 52 LEU HD2 H 0.736 0.05 2 276 52 52 LEU HG H 1.634 0.05 1 277 52 52 LEU N N 120.733 0.3 1 278 53 53 LYS H H 8.746 0.05 1 279 53 53 LYS HA H 4.512 0.05 1 280 53 53 LYS HB2 H 1.579 0.05 2 281 53 53 LYS HB3 H 1.579 0.05 2 282 53 53 LYS HG2 H 1.304 0.05 2 283 53 53 LYS HG3 H 1.304 0.05 2 284 53 53 LYS N N 123.688 0.3 1 285 54 54 VAL H H 8.356 0.05 1 286 54 54 VAL HA H 4.183 0.05 1 287 54 54 VAL HB H 1.899 0.05 1 288 54 54 VAL HG1 H 0.960 0.05 2 289 54 54 VAL HG2 H 0.821 0.05 2 290 54 54 VAL N N 122.735 0.3 1 291 55 55 VAL H H 8.267 0.05 1 292 55 55 VAL HA H 4.039 0.05 1 293 55 55 VAL HB H 2.057 0.05 1 294 55 55 VAL HG1 H 0.978 0.05 2 295 55 55 VAL HG2 H 0.978 0.05 2 296 55 55 VAL N N 128.740 0.3 1 297 56 56 LYS H H 8.759 0.05 1 298 56 56 LYS HB2 H 1.854 0.05 2 299 56 56 LYS HB3 H 1.854 0.05 2 300 56 56 LYS N N 131.028 0.3 1 301 57 57 ASN HA H 4.712 0.05 1 302 57 57 ASN HB2 H 2.987 0.05 2 303 57 57 ASN HB3 H 2.987 0.05 2 304 58 58 CYS H H 8.456 0.05 1 305 58 58 CYS HA H 4.734 0.05 1 306 58 58 CYS HB2 H 2.979 0.05 2 307 58 58 CYS HB3 H 3.716 0.05 2 308 58 58 CYS N N 118.732 0.3 1 309 59 59 ALA H H 7.261 0.05 1 310 59 59 ALA HA H 4.849 0.05 1 311 59 59 ALA HB H 1.337 0.05 1 312 59 59 ALA N N 120.733 0.3 1 313 60 60 ASN H H 9.216 0.05 1 314 60 60 ASN HA H 4.150 0.05 1 315 60 60 ASN HB2 H 2.598 0.05 2 316 60 60 ASN HB3 H 2.618 0.05 2 317 60 60 ASN N N 123.653 0.3 1 318 61 61 THR H H 8.988 0.05 1 319 61 61 THR HA H 4.893 0.05 1 320 61 61 THR HB H 4.126 0.05 1 321 61 61 THR HG2 H 1.556 0.05 1 322 61 61 THR N N 112.895 0.3 1 323 62 62 THR H H 8.399 0.05 1 324 62 62 THR HA H 4.717 0.05 1 325 62 62 THR HB H 4.593 0.05 1 326 62 62 THR HG2 H 1.356 0.05 1 327 62 62 THR N N 115.681 0.3 1 328 63 63 ARG H H 8.190 0.05 1 329 63 63 ARG HA H 4.304 0.05 1 330 63 63 ARG HB2 H 1.309 0.05 2 331 63 63 ARG HB3 H 1.524 0.05 2 332 63 63 ARG HD2 H 2.785 0.05 2 333 63 63 ARG HD3 H 2.785 0.05 2 334 63 63 ARG HG2 H 1.524 0.05 2 335 63 63 ARG HG3 H 1.524 0.05 2 336 63 63 ARG N N 123.307 0.3 1 337 64 64 SER H H 7.822 0.05 1 338 64 64 SER HA H 3.842 0.05 1 339 64 64 SER HB2 H 3.453 0.05 2 340 64 64 SER HB3 H 3.453 0.05 2 341 64 64 SER N N 112.345 0.3 1 342 65 65 PHE H H 6.127 0.05 1 343 65 65 PHE HA H 4.485 0.05 1 344 65 65 PHE HB2 H 2.505 0.05 2 345 65 65 PHE HB3 H 2.505 0.05 2 346 65 65 PHE HD1 H 6.719 0.05 3 347 65 65 PHE HD2 H 6.719 0.05 3 348 65 65 PHE N N 112.250 0.3 1 349 66 66 CYS H H 9.390 0.05 1 350 66 66 CYS HA H 4.666 0.05 1 351 66 66 CYS HB2 H 2.686 0.05 2 352 66 66 CYS HB3 H 2.970 0.05 2 353 66 66 CYS N N 117.243 0.3 1 354 67 67 ASP H H 8.832 0.05 1 355 67 67 ASP HA H 4.872 0.05 1 356 67 67 ASP HB2 H 3.025 0.05 2 357 67 67 ASP HB3 H 2.337 0.05 2 358 67 67 ASP N N 128.674 0.3 1 359 68 68 LEU H H 8.792 0.05 1 360 68 68 LEU HA H 4.118 0.05 1 361 68 68 LEU HB2 H 0.549 0.05 2 362 68 68 LEU HD1 H -0.072 0.05 2 363 68 68 LEU HD2 H -0.865 0.05 2 364 68 68 LEU HG H 0.549 0.05 1 365 68 68 LEU N N 129.693 0.3 1 366 69 69 THR H H 8.685 0.05 1 367 69 69 THR HA H 3.680 0.05 1 368 69 69 THR HB H 3.908 0.05 1 369 69 69 THR HG2 H 1.282 0.05 1 370 69 69 THR N N 120.447 0.3 1 371 70 70 ASP H H 8.323 0.05 1 372 70 70 ASP HA H 4.521 0.05 1 373 70 70 ASP HB2 H 2.415 0.05 2 374 70 70 ASP HB3 H 2.712 0.05 2 375 70 70 ASP N N 114.824 0.3 1 376 71 71 GLU H H 7.427 0.05 1 377 71 71 GLU HA H 4.378 0.05 1 378 71 71 GLU HB2 H 1.535 0.05 2 379 71 71 GLU HB3 H 1.892 0.05 2 380 71 71 GLU HG2 H 2.247 0.05 2 381 71 71 GLU HG3 H 2.247 0.05 2 382 71 71 GLU N N 117.683 0.3 1 383 72 72 TRP H H 7.962 0.05 1 384 72 72 TRP HA H 4.864 0.05 1 385 72 72 TRP HB2 H 2.394 0.05 2 386 72 72 TRP HB3 H 2.690 0.05 2 387 72 72 TRP HD1 H 5.790 0.05 1 388 72 72 TRP N N 121.782 0.3 1 389 73 73 ARG H H 7.656 0.05 1 390 73 73 ARG HA H 4.367 0.05 1 391 73 73 ARG HB2 H 2.023 0.05 2 392 73 73 ARG HB3 H 2.023 0.05 2 393 73 73 ARG HD2 H 3.164 0.05 2 394 73 73 ARG HD3 H 3.164 0.05 2 395 73 73 ARG HG2 H 1.698 0.05 2 396 73 73 ARG HG3 H 1.698 0.05 2 397 73 73 ARG N N 118.922 0.3 1 398 79 79 TYR H H 7.563 0.05 1 399 79 79 TYR HA H 4.723 0.05 1 400 79 79 TYR HB2 H 1.776 0.05 2 401 79 79 TYR HB3 H 1.943 0.05 2 402 79 79 TYR HD1 H 6.068 0.05 3 403 79 79 TYR HD2 H 6.068 0.05 3 404 79 79 TYR N N 120.829 0.3 1 405 80 80 VAL H H 8.956 0.05 1 406 80 80 VAL HA H 4.593 0.05 1 407 80 80 VAL HB H 1.782 0.05 1 408 80 80 VAL HG1 H 0.752 0.05 2 409 80 80 VAL HG2 H 0.929 0.05 2 410 80 80 VAL N N 125.032 0.3 1 411 81 81 THR H H 8.782 0.05 1 412 81 81 THR HA H 5.348 0.05 1 413 81 81 THR HB H 4.002 0.05 1 414 81 81 THR HG2 H 1.312 0.05 1 415 81 81 THR N N 116.921 0.3 1 416 82 82 VAL H H 8.970 0.05 1 417 82 82 VAL HA H 4.390 0.05 1 418 82 82 VAL HB H 1.741 0.05 1 419 82 82 VAL HG1 H 0.630 0.05 2 420 82 82 VAL HG2 H 0.800 0.05 2 421 82 82 VAL N N 123.425 0.3 1 422 83 83 LEU H H 9.200 0.05 1 423 83 83 LEU HA H 4.988 0.05 1 424 83 83 LEU HB2 H 2.047 0.05 2 425 83 83 LEU HB3 H 2.047 0.05 2 426 83 83 LEU HD1 H -0.321 0.05 2 427 83 83 LEU HD2 H -0.321 0.05 2 428 83 83 LEU HG H 0.833 0.05 1 429 83 83 LEU N N 129.159 0.3 1 430 84 84 GLU H H 8.909 0.05 1 431 84 84 GLU HA H 4.625 0.05 1 432 84 84 GLU HB2 H 1.329 0.05 2 433 84 84 GLU HB3 H 1.758 0.05 2 434 84 84 GLU HG2 H 1.758 0.05 2 435 84 84 GLU HG3 H 2.034 0.05 2 436 84 84 GLU N N 126.042 0.3 1 437 85 85 GLY H H 6.797 0.05 1 438 85 85 GLY HA2 H 2.304 0.05 2 439 85 85 GLY HA3 H 4.402 0.05 2 440 85 85 GLY N N 106.817 0.3 1 441 86 86 PHE H H 8.147 0.05 1 442 86 86 PHE HA H 4.975 0.05 1 443 86 86 PHE HB2 H 1.211 0.05 2 444 86 86 PHE HB3 H 2.711 0.05 2 445 86 86 PHE HD1 H 6.606 0.05 3 446 86 86 PHE HD2 H 6.606 0.05 3 447 86 86 PHE HE1 H 7.213 0.05 3 448 86 86 PHE HE2 H 7.213 0.05 3 449 86 86 PHE N N 120.355 0.3 1 450 87 87 SER H H 8.497 0.05 1 451 87 87 SER HA H 4.874 0.05 1 452 87 87 SER HB2 H 3.689 0.05 2 453 87 87 SER HB3 H 3.689 0.05 2 454 87 87 SER N N 114.061 0.3 1 455 89 89 ASN HA H 4.694 0.05 1 456 89 89 ASN HB2 H 2.717 0.05 2 457 89 89 ASN HB3 H 2.899 0.05 2 458 90 90 THR H H 8.169 0.05 1 459 90 90 THR HA H 4.402 0.05 1 460 90 90 THR HB H 4.216 0.05 1 461 90 90 THR HG2 H 1.133 0.05 1 462 90 90 THR N N 117.683 0.3 1 463 91 91 THR H H 8.890 0.05 1 464 91 91 THR HA H 3.881 0.05 1 465 91 91 THR HB H 3.881 0.05 1 466 91 91 THR HG2 H 0.778 0.05 1 467 91 91 THR N N 124.351 0.3 1 468 92 92 LEU H H 8.964 0.05 1 469 92 92 LEU HA H 4.225 0.05 1 470 92 92 LEU HB2 H 1.146 0.05 2 471 92 92 LEU HB3 H 1.378 0.05 2 472 92 92 LEU HD1 H 0.596 0.05 2 473 92 92 LEU HD2 H 0.747 0.05 2 474 92 92 LEU HG H 1.714 0.05 1 475 92 92 LEU N N 128.374 0.3 1 476 93 93 PHE H H 6.883 0.05 1 477 93 93 PHE HA H 4.693 0.05 1 478 93 93 PHE HB2 H 2.980 0.05 2 479 93 93 PHE HB3 H 3.147 0.05 2 480 93 93 PHE HD1 H 6.845 0.05 3 481 93 93 PHE HD2 H 6.845 0.05 3 482 93 93 PHE HE1 H 7.010 0.05 3 483 93 93 PHE HE2 H 7.010 0.05 3 484 93 93 PHE N N 111.011 0.3 1 485 94 94 SER H H 8.290 0.05 1 486 94 94 SER HA H 5.243 0.05 1 487 94 94 SER HB2 H 3.497 0.05 2 488 94 94 SER HB3 H 3.497 0.05 2 489 94 94 SER N N 113.298 0.3 1 490 95 95 CYS H H 9.466 0.05 1 491 95 95 CYS HA H 5.220 0.05 1 492 95 95 CYS HB2 H 3.475 0.05 2 493 95 95 CYS HB3 H 3.475 0.05 2 494 95 95 CYS N N 122.830 0.3 1 495 96 96 SER HA H 5.705 0.05 1 496 96 96 SER HB2 H 3.681 0.05 2 497 96 96 SER HB3 H 3.681 0.05 2 498 97 97 HIS H H 8.333 0.05 1 499 97 97 HIS HA H 4.394 0.05 1 500 97 97 HIS HB2 H 2.089 0.05 2 501 97 97 HIS HB3 H 3.057 0.05 2 502 97 97 HIS N N 119.875 0.3 1 503 98 98 ASN HA H 5.922 0.05 1 504 98 98 ASN HB2 H 2.231 0.05 2 505 98 98 ASN HB3 H 2.439 0.05 2 506 99 99 PHE H H 9.000 0.05 1 507 99 99 PHE HA H 5.024 0.05 1 508 99 99 PHE HB2 H 2.489 0.05 2 509 99 99 PHE HB3 H 2.933 0.05 2 510 99 99 PHE HD1 H 7.199 0.05 3 511 99 99 PHE HD2 H 7.199 0.05 3 512 99 99 PHE HE1 H 7.348 0.05 3 513 99 99 PHE HE2 H 7.348 0.05 3 514 99 99 PHE N N 116.140 0.3 1 515 100 100 TRP H H 9.934 0.05 1 516 100 100 TRP HA H 5.030 0.05 1 517 100 100 TRP HB2 H 2.973 0.05 2 518 100 100 TRP HB3 H 3.395 0.05 2 519 100 100 TRP N N 126.300 0.3 1 520 103 103 ILE HA H 4.439 0.05 1 521 103 103 ILE HB H 2.010 0.05 1 522 103 103 ILE HD1 H 0.767 0.05 1 523 103 103 ILE HG12 H 1.647 0.05 9 524 103 103 ILE HG13 H 1.154 0.05 9 525 103 103 ILE HG2 H 0.938 0.05 1 526 104 104 ASP H H 8.436 0.05 1 527 104 104 ASP HA H 4.729 0.05 1 528 104 104 ASP HB2 H 2.411 0.05 2 529 104 104 ASP HB3 H 3.014 0.05 2 530 104 104 ASP N N 117.588 0.3 1 531 105 105 MET H H 7.791 0.05 1 532 105 105 MET HA H 4.234 0.05 1 533 105 105 MET HB2 H 1.635 0.05 2 534 105 105 MET HB3 H 1.730 0.05 2 535 105 105 MET HE H 1.730 0.05 1 536 105 105 MET HG2 H 1.509 0.05 2 537 105 105 MET HG3 H 1.635 0.05 2 538 105 105 MET N N 119.113 0.3 1 539 106 106 SER H H 7.622 0.05 1 540 106 106 SER HA H 4.411 0.05 1 541 106 106 SER HB2 H 3.763 0.05 2 542 106 106 SER HB3 H 3.763 0.05 2 543 106 106 SER N N 119.024 0.3 1 544 107 107 PHE H H 8.969 0.05 1 545 107 107 PHE HA H 4.707 0.05 1 546 107 107 PHE HB2 H 2.825 0.05 2 547 107 107 PHE HB3 H 2.973 0.05 2 548 107 107 PHE HD1 H 7.017 0.05 3 549 107 107 PHE HD2 H 7.017 0.05 3 550 107 107 PHE N N 122.072 0.3 1 551 108 108 GLU H H 8.011 0.05 1 552 108 108 GLU HA H 4.237 0.05 1 553 108 108 GLU HB2 H 1.982 0.05 2 554 108 108 GLU HB3 H 2.122 0.05 2 555 108 108 GLU HG2 H 1.982 0.05 2 556 108 108 GLU HG3 H 2.122 0.05 2 557 108 108 GLU N N 126.738 0.3 1 558 110 110 PRO HA H 4.643 0.05 1 559 110 110 PRO HB2 H 1.903 0.05 2 560 110 110 PRO HB3 H 1.903 0.05 2 561 110 110 PRO HG2 H 1.987 0.05 2 562 110 110 PRO HG3 H 1.987 0.05 2 563 111 111 GLU H H 8.537 0.05 1 564 111 111 GLU HA H 4.438 0.05 1 565 111 111 GLU HB2 H 1.970 0.05 2 566 111 111 GLU HB3 H 2.041 0.05 2 567 111 111 GLU HG2 H 2.242 0.05 2 568 111 111 GLU HG3 H 2.381 0.05 2 569 111 111 GLU N N 119.208 0.3 1 570 112 112 PHE H H 8.446 0.05 1 571 112 112 PHE HA H 5.651 0.05 1 572 112 112 PHE HB2 H 2.766 0.05 2 573 112 112 PHE HB3 H 2.919 0.05 2 574 112 112 PHE HD1 H 7.032 0.05 3 575 112 112 PHE HD2 H 7.032 0.05 3 576 112 112 PHE HE1 H 7.254 0.05 3 577 112 112 PHE HE2 H 7.254 0.05 3 578 112 112 PHE N N 117.111 0.3 1 579 113 113 GLU H H 9.130 0.05 1 580 113 113 GLU HA H 4.393 0.05 1 581 113 113 GLU HB2 H 1.687 0.05 2 582 113 113 GLU HB3 H 1.931 0.05 2 583 113 113 GLU HG2 H 2.034 0.05 2 584 113 113 GLU HG3 H 2.034 0.05 2 585 113 113 GLU N N 119.179 0.3 1 586 114 114 ILE H H 8.699 0.05 1 587 114 114 ILE HA H 5.678 0.05 1 588 114 114 ILE HB H 1.675 0.05 1 589 114 114 ILE HD1 H 0.624 0.05 1 590 114 114 ILE HG12 H 0.851 0.05 9 591 114 114 ILE HG13 H 1.004 0.05 9 592 114 114 ILE HG2 H 0.624 0.05 1 593 114 114 ILE N N 113.584 0.3 1 594 115 115 VAL H H 8.454 0.05 1 595 115 115 VAL HA H 4.066 0.05 1 596 115 115 VAL HB H 1.905 0.05 1 597 115 115 VAL HG1 H 0.855 0.05 2 598 115 115 VAL HG2 H 0.625 0.05 2 599 115 115 VAL N N 121.591 0.3 1 600 116 116 GLY H H 8.650 0.05 1 601 116 116 GLY HA2 H 3.426 0.05 2 602 116 116 GLY HA3 H 4.231 0.05 2 603 116 116 GLY N N 113.680 0.3 1 604 117 117 PHE H H 8.496 0.05 1 605 117 117 PHE HA H 4.421 0.05 1 606 117 117 PHE HB2 H 1.603 0.05 2 607 117 117 PHE HB3 H 2.955 0.05 2 608 117 117 PHE HD1 H 6.884 0.05 3 609 117 117 PHE HD2 H 6.884 0.05 3 610 117 117 PHE HE1 H 7.078 0.05 3 611 117 117 PHE HE2 H 7.078 0.05 3 612 117 117 PHE N N 124.641 0.3 1 613 118 118 THR H H 7.951 0.05 1 614 118 118 THR HA H 4.043 0.05 1 615 118 118 THR HB H 3.967 0.05 1 616 118 118 THR HG2 H 1.182 0.05 1 617 118 118 THR N N 111.678 0.3 1 618 119 119 ASN HA H 4.708 0.05 1 619 119 119 ASN HB2 H 2.926 0.05 2 620 119 119 ASN HB3 H 2.926 0.05 2 621 120 120 HIS H H 7.330 0.05 1 622 120 120 HIS HA H 5.089 0.05 1 623 120 120 HIS HB2 H 2.875 0.05 2 624 120 120 HIS HB3 H 3.147 0.05 2 625 120 120 HIS HD2 H 6.571 0.05 1 626 120 120 HIS HE1 H 6.887 0.05 1 627 120 120 HIS N N 113.680 0.3 1 628 121 121 ILE H H 8.801 0.05 1 629 121 121 ILE HA H 4.729 0.05 1 630 121 121 ILE HB H 1.279 0.05 1 631 121 121 ILE HD1 H 0.432 0.05 1 632 121 121 ILE HG12 H 0.714 0.05 9 633 121 121 ILE HG13 H 1.433 0.05 9 634 121 121 ILE HG2 H 0.714 0.05 1 635 121 121 ILE N N 117.848 0.3 1 636 122 122 ASN H H 9.001 0.05 1 637 122 122 ASN HA H 5.031 0.05 1 638 122 122 ASN HB2 H 2.638 0.05 2 639 122 122 ASN HB3 H 2.779 0.05 2 640 122 122 ASN N N 125.778 0.3 1 641 123 123 VAL H H 9.364 0.05 1 642 123 123 VAL HA H 4.620 0.05 1 643 123 123 VAL HB H 2.414 0.05 1 644 123 123 VAL HG1 H 0.864 0.05 2 645 123 123 VAL HG2 H 0.976 0.05 2 646 123 123 VAL N N 126.525 0.3 1 647 124 124 MET H H 9.162 0.05 1 648 124 124 MET HA H 5.186 0.05 1 649 124 124 MET HB2 H 1.925 0.05 2 650 124 124 MET HB3 H 1.941 0.05 2 651 124 124 MET HE H 1.925 0.05 1 652 124 124 MET HG2 H 2.252 0.05 2 653 124 124 MET HG3 H 2.252 0.05 2 654 124 124 MET N N 127.773 0.3 1 655 125 125 VAL H H 9.664 0.05 1 656 125 125 VAL HA H 4.202 0.05 1 657 125 125 VAL HB H 1.941 0.05 1 658 125 125 VAL HG1 H 0.261 0.05 2 659 125 125 VAL HG2 H 0.845 0.05 2 660 125 125 VAL N N 127.382 0.3 1 661 126 126 LYS H H 8.335 0.05 1 662 126 126 LYS HA H 4.560 0.05 1 663 126 126 LYS HB2 H 1.539 0.05 2 664 126 126 LYS HB3 H 1.618 0.05 2 665 126 126 LYS HD2 H 1.515 0.05 2 666 126 126 LYS HD3 H 1.515 0.05 2 667 126 126 LYS HE2 H 2.770 0.05 2 668 126 126 LYS HE3 H 2.770 0.05 2 669 126 126 LYS HG2 H 1.197 0.05 2 670 126 126 LYS HG3 H 1.197 0.05 2 671 126 126 LYS N N 127.882 0.3 1 672 127 127 PHE H H 7.866 0.05 1 673 127 127 PHE HA H 4.890 0.05 1 674 127 127 PHE HB2 H 3.043 0.05 2 675 127 127 PHE HB3 H 3.391 0.05 2 676 127 127 PHE HD1 H 7.334 0.05 3 677 127 127 PHE HD2 H 7.334 0.05 3 678 127 127 PHE N N 124.260 0.3 1 679 128 128 PRO HA H 4.523 0.05 1 680 128 128 PRO HB2 H 1.870 0.05 2 681 128 128 PRO HB3 H 2.352 0.05 2 682 128 128 PRO HD2 H 3.565 0.05 2 683 128 128 PRO HD3 H 3.826 0.05 2 684 128 128 PRO HG2 H 1.870 0.05 2 685 128 128 PRO HG3 H 1.964 0.05 2 686 129 129 SER HA H 4.682 0.05 1 687 129 129 SER HB2 H 4.318 0.05 2 688 129 129 SER HB3 H 3.826 0.05 2 689 130 130 ILE H H 7.764 0.05 1 690 130 130 ILE HA H 4.318 0.05 1 691 130 130 ILE HB H 1.713 0.05 1 692 130 130 ILE HD1 H 0.573 0.05 1 693 130 130 ILE HG12 H 1.227 0.05 9 694 130 130 ILE HG13 H 0.916 0.05 9 695 130 130 ILE HG2 H 0.738 0.05 1 696 130 130 ILE N N 121.305 0.3 1 697 131 131 VAL H H 8.246 0.05 1 698 131 131 VAL HA H 4.111 0.05 1 699 131 131 VAL HB H 1.896 0.05 1 700 131 131 VAL HG1 H 0.910 0.05 2 701 131 131 VAL HG2 H 0.785 0.05 2 702 131 131 VAL N N 124.355 0.3 1 703 132 132 GLU H H 8.645 0.05 1 704 132 132 GLU HA H 3.938 0.05 1 705 132 132 GLU HB2 H 1.896 0.05 2 706 132 132 GLU HB3 H 1.990 0.05 2 707 132 132 GLU HG2 H 2.183 0.05 2 708 132 132 GLU HG3 H 2.183 0.05 2 709 132 132 GLU N N 126.548 0.3 1 710 133 133 GLU H H 8.544 0.05 1 711 133 133 GLU HA H 4.124 0.05 1 712 133 133 GLU HB2 H 1.877 0.05 2 713 133 133 GLU HB3 H 2.022 0.05 2 714 133 133 GLU HG2 H 2.207 0.05 2 715 133 133 GLU HG3 H 2.207 0.05 2 716 133 133 GLU N N 119.018 0.3 1 717 134 134 GLU H H 8.095 0.05 1 718 134 134 GLU HA H 4.195 0.05 1 719 134 134 GLU HB2 H 1.877 0.05 2 720 134 134 GLU HB3 H 2.022 0.05 2 721 134 134 GLU HG2 H 2.174 0.05 2 722 134 134 GLU HG3 H 2.174 0.05 2 723 134 134 GLU N N 118.732 0.3 1 724 135 135 LEU H H 7.915 0.05 1 725 135 135 LEU HA H 4.234 0.05 1 726 135 135 LEU HB2 H 1.628 0.05 2 727 135 135 LEU HB3 H 1.628 0.05 2 728 135 135 LEU HD1 H 0.835 0.05 2 729 135 135 LEU HD2 H 0.835 0.05 2 730 135 135 LEU HG H 1.448 0.05 1 731 135 135 LEU N N 123.021 0.3 1 732 136 136 GLN H H 8.746 0.05 1 733 136 136 GLN HA H 4.081 0.05 1 734 136 136 GLN HB2 H 1.664 0.05 2 735 136 136 GLN HB3 H 1.909 0.05 2 736 136 136 GLN HG2 H 1.909 0.05 2 737 136 136 GLN HG3 H 2.122 0.05 2 738 136 136 GLN N N 121.496 0.3 1 739 137 137 PHE H H 7.233 0.05 1 740 137 137 PHE HA H 4.625 0.05 1 741 137 137 PHE N N 115.395 0.3 1 742 138 138 ASP HA H 4.635 0.05 1 743 138 138 ASP HB2 H 2.514 0.05 2 744 138 138 ASP HB3 H 2.749 0.05 2 745 139 139 LEU H H 7.797 0.05 1 746 139 139 LEU HA H 4.725 0.05 1 747 139 139 LEU HB2 H 1.032 0.05 2 748 139 139 LEU HB3 H 1.533 0.05 2 749 139 139 LEU HD1 H -0.057 0.05 2 750 139 139 LEU HD2 H 0.658 0.05 2 751 139 139 LEU HG H 1.700 0.05 1 752 139 139 LEU N N 123.498 0.3 1 753 140 140 SER H H 8.614 0.05 1 754 140 140 SER HA H 4.618 0.05 1 755 140 140 SER HB2 H 3.618 0.05 2 756 140 140 SER HB3 H 3.618 0.05 2 757 140 140 SER N N 115.205 0.3 1 758 141 141 LEU H H 8.040 0.05 1 759 141 141 LEU HA H 4.598 0.05 1 760 141 141 LEU HB2 H 1.658 0.05 2 761 141 141 LEU HB3 H 1.160 0.05 2 762 141 141 LEU HD1 H 0.744 0.05 2 763 141 141 LEU HD2 H 0.891 0.05 2 764 141 141 LEU HG H 1.658 0.05 1 765 141 141 LEU N N 125.690 0.3 1 766 142 142 VAL H H 8.924 0.05 1 767 142 142 VAL HA H 4.379 0.05 1 768 142 142 VAL HB H 1.231 0.05 1 769 142 142 VAL HG1 H 0.521 0.05 2 770 142 142 VAL HG2 H 0.740 0.05 2 771 142 142 VAL N N 127.302 0.3 1 772 143 143 ILE H H 8.596 0.05 1 773 143 143 ILE HA H 4.339 0.05 1 774 143 143 ILE HB H 1.417 0.05 1 775 143 143 ILE HD1 H 0.516 0.05 1 776 143 143 ILE HG12 H 0.981 0.05 9 777 143 143 ILE HG13 H 1.596 0.05 9 778 143 143 ILE HG2 H 0.719 0.05 1 779 143 143 ILE N N 124.641 0.3 1 780 144 144 GLU H H 9.614 0.05 1 781 144 144 GLU HA H 4.952 0.05 1 782 144 144 GLU HB2 H 1.955 0.05 2 783 144 144 GLU HB3 H 2.078 0.05 2 784 144 144 GLU HG2 H 1.955 0.05 2 785 144 144 GLU HG3 H 2.078 0.05 2 786 144 144 GLU N N 129.154 0.3 1 787 145 145 GLU H H 9.139 0.05 1 788 145 145 GLU HA H 4.943 0.05 1 789 145 145 GLU HB2 H 2.073 0.05 2 790 145 145 GLU HB3 H 2.323 0.05 2 791 145 145 GLU HG2 H 2.073 0.05 2 792 145 145 GLU HG3 H 2.323 0.05 2 793 145 145 GLU N N 126.648 0.3 1 794 146 146 GLN H H 9.587 0.05 1 795 146 146 GLN HA H 5.481 0.05 1 796 146 146 GLN HB2 H 1.840 0.05 2 797 146 146 GLN HB3 H 2.022 0.05 2 798 146 146 GLN HG2 H 2.179 0.05 2 799 146 146 GLN HG3 H 2.179 0.05 2 800 146 146 GLN N N 125.467 0.3 1 801 147 147 SER H H 8.517 0.05 1 802 147 147 SER HA H 4.447 0.05 1 803 147 147 SER HB2 H 3.640 0.05 2 804 147 147 SER HB3 H 3.640 0.05 2 805 147 147 SER N N 118.064 0.3 1 806 148 148 GLU H H 9.097 0.05 1 807 148 148 GLU HA H 3.893 0.05 1 808 148 148 GLU HB2 H 1.999 0.05 2 809 148 148 GLU HB3 H 2.155 0.05 2 810 148 148 GLU HG2 H 2.155 0.05 2 811 148 148 GLU HG3 H 2.241 0.05 2 812 148 148 GLU N N 123.670 0.3 1 813 149 149 GLY H H 8.584 0.05 1 814 149 149 GLY HA2 H 3.613 0.05 2 815 149 149 GLY HA3 H 4.104 0.05 2 816 149 149 GLY N N 106.912 0.3 1 817 150 150 ILE H H 8.169 0.05 1 818 150 150 ILE HA H 4.310 0.05 1 819 150 150 ILE HB H 2.021 0.05 1 820 150 150 ILE HD1 H 0.841 0.05 1 821 150 150 ILE HG12 H 1.171 0.05 9 822 150 150 ILE HG13 H 1.471 0.05 9 823 150 150 ILE HG2 H 0.841 0.05 1 824 150 150 ILE N N 122.640 0.3 1 825 151 151 VAL H H 8.335 0.05 1 826 151 151 VAL HA H 4.782 0.05 1 827 151 151 VAL HB H 1.883 0.05 1 828 151 151 VAL HG1 H 0.830 0.05 2 829 151 151 VAL HG2 H 0.830 0.05 2 830 151 151 VAL N N 127.024 0.3 1 831 152 152 LYS H H 9.262 0.05 1 832 152 152 LYS HA H 4.572 0.05 1 833 152 152 LYS HB2 H 1.599 0.05 2 834 152 152 LYS HB3 H 1.673 0.05 2 835 152 152 LYS HD2 H 1.599 0.05 2 836 152 152 LYS HD3 H 1.599 0.05 2 837 152 152 LYS HE2 H 2.852 0.05 2 838 152 152 LYS HE3 H 2.852 0.05 2 839 152 152 LYS HG2 H 1.266 0.05 2 840 152 152 LYS HG3 H 1.266 0.05 2 841 152 152 LYS N N 128.471 0.3 1 842 153 153 LYS H H 8.583 0.05 1 843 153 153 LYS HA H 4.564 0.05 1 844 153 153 LYS HB2 H 1.414 0.05 2 845 153 153 LYS HB3 H 1.635 0.05 2 846 153 153 LYS HD2 H 1.635 0.05 2 847 153 153 LYS HD3 H 1.635 0.05 2 848 153 153 LYS HE2 H 2.904 0.05 2 849 153 153 LYS HE3 H 2.904 0.05 2 850 153 153 LYS HG2 H 1.414 0.05 2 851 153 153 LYS HG3 H 1.414 0.05 2 852 153 153 LYS N N 123.116 0.3 1 853 154 154 HIS H H 9.151 0.05 1 854 154 154 HIS HA H 4.530 0.05 1 855 154 154 HIS HB2 H 2.716 0.05 2 856 154 154 HIS HB3 H 3.247 0.05 2 857 154 154 HIS HD1 H 7.014 0.05 1 858 154 154 HIS N N 125.672 0.3 1 859 155 155 LYS H H 8.780 0.05 1 860 155 155 LYS HB2 H 1.588 0.05 2 861 155 155 LYS HB3 H 1.742 0.05 2 862 155 155 LYS HD2 H 1.742 0.05 2 863 155 155 LYS HD3 H 1.742 0.05 2 864 155 155 LYS HG2 H 1.274 0.05 2 865 155 155 LYS HG3 H 1.274 0.05 2 866 155 155 LYS N N 123.116 0.3 1 867 156 156 PRO HA H 4.426 0.05 1 868 156 156 PRO HG2 H 1.772 0.05 2 869 156 156 PRO HG3 H 2.055 0.05 2 870 157 157 GLU H H 8.706 0.05 1 871 157 157 GLU HA H 4.282 0.05 1 872 157 157 GLU HB2 H 2.055 0.05 2 873 157 157 GLU HG2 H 2.288 0.05 2 874 157 157 GLU HG3 H 2.288 0.05 2 875 157 157 GLU N N 122.449 0.3 1 876 158 158 ILE H H 8.190 0.05 1 877 158 158 ILE HA H 4.148 0.05 1 878 158 158 ILE HB H 1.458 0.05 1 879 158 158 ILE HD1 H 0.304 0.05 1 880 158 158 ILE HG12 H 1.150 0.05 9 881 158 158 ILE HG13 H 0.840 0.05 9 882 158 158 ILE HG2 H 0.486 0.05 1 883 158 158 ILE N N 123.307 0.3 1 884 159 159 LYS H H 8.135 0.05 1 885 159 159 LYS HA H 4.138 0.05 1 886 159 159 LYS HB2 H 1.666 0.05 2 887 159 159 LYS HB3 H 1.758 0.05 2 888 159 159 LYS HD2 H 1.666 0.05 2 889 159 159 LYS HD3 H 1.666 0.05 2 890 159 159 LYS HG2 H 1.346 0.05 2 891 159 159 LYS HG3 H 1.458 0.05 2 892 159 159 LYS N N 125.404 0.3 1 893 160 160 GLY HA2 H 3.669 0.05 2 894 160 160 GLY HA3 H 4.076 0.05 2 895 161 161 ASN H H 8.345 0.05 1 896 161 161 ASN HA H 4.868 0.05 1 897 161 161 ASN HB2 H 2.405 0.05 2 898 161 161 ASN HB3 H 2.883 0.05 2 899 161 161 ASN N N 118.732 0.3 1 900 162 162 MET H H 8.134 0.05 1 901 162 162 MET HA H 3.630 0.05 1 902 162 162 MET HB2 H 1.107 0.05 2 903 162 162 MET HB3 H 1.367 0.05 2 904 162 162 MET HG2 H 1.592 0.05 2 905 162 162 MET HG3 H 1.910 0.05 2 906 162 162 MET N N 121.591 0.3 1 907 163 163 SER H H 7.319 0.05 1 908 163 163 SER HA H 3.630 0.05 1 909 163 163 SER HB2 H 3.742 0.05 2 910 163 163 SER HB3 H 3.742 0.05 2 911 163 163 SER N N 111.678 0.3 1 912 164 164 GLY H H 7.833 0.05 1 913 164 164 GLY HA2 H 3.704 0.05 2 914 164 164 GLY HA3 H 4.080 0.05 2 915 164 164 GLY N N 112.822 0.3 1 916 165 165 ASN H H 8.216 0.05 1 917 165 165 ASN HA H 5.137 0.05 1 918 165 165 ASN HB2 H 2.587 0.05 2 919 165 165 ASN HB3 H 2.695 0.05 2 920 165 165 ASN N N 117.302 0.3 1 921 166 166 PHE H H 9.190 0.05 1 922 166 166 PHE HA H 4.873 0.05 1 923 166 166 PHE HB2 H 3.018 0.05 2 924 166 166 PHE HB3 H 3.468 0.05 2 925 166 166 PHE HD1 H 7.336 0.05 3 926 166 166 PHE HD2 H 7.336 0.05 3 927 166 166 PHE HE1 H 6.983 0.05 3 928 166 166 PHE HE2 H 6.983 0.05 3 929 166 166 PHE N N 128.002 0.3 1 930 167 167 THR H H 7.982 0.05 1 931 167 167 THR HA H 5.162 0.05 1 932 167 167 THR HB H 3.716 0.05 1 933 167 167 THR HG2 H 0.878 0.05 1 934 167 167 THR N N 123.593 0.3 1 935 168 168 TYR H H 9.234 0.05 1 936 168 168 TYR HA H 4.423 0.05 1 937 168 168 TYR HB2 H 2.722 0.05 2 938 168 168 TYR HB3 H 2.409 0.05 2 939 168 168 TYR HD1 H 6.854 0.05 3 940 168 168 TYR HD2 H 6.854 0.05 3 941 168 168 TYR HE1 H 6.501 0.05 3 942 168 168 TYR HE2 H 6.501 0.05 3 943 168 168 TYR N N 127.853 0.3 1 944 169 169 ILE H H 7.386 0.05 1 945 169 169 ILE HA H 4.527 0.05 1 946 169 169 ILE HB H 1.335 0.05 1 947 169 169 ILE HD1 H 0.453 0.05 1 948 169 169 ILE HG12 H 0.876 0.05 9 949 169 169 ILE HG13 H 1.176 0.05 9 950 169 169 ILE HG2 H 0.453 0.05 1 951 169 169 ILE N N 127.596 0.3 1 952 170 170 ILE H H 8.747 0.05 1 953 170 170 ILE HA H 3.760 0.05 1 954 170 170 ILE HB H 1.555 0.05 1 955 170 170 ILE HD1 H 0.550 0.05 1 956 170 170 ILE HG12 H 0.259 0.05 9 957 170 170 ILE HG13 H 1.555 0.05 9 958 170 170 ILE HG2 H 0.723 0.05 1 959 170 170 ILE N N 127.501 0.3 1 960 171 171 ASP H H 8.061 0.05 1 961 171 171 ASP HA H 4.929 0.05 1 962 171 171 ASP HB2 H 2.364 0.05 2 963 171 171 ASP HB3 H 2.714 0.05 2 964 171 171 ASP N N 125.976 0.3 1 965 172 172 LYS H H 8.610 0.05 1 966 172 172 LYS HA H 3.803 0.05 1 967 172 172 LYS HB2 H 1.821 0.05 2 968 172 172 LYS HB3 H 2.008 0.05 2 969 172 172 LYS HE2 H 2.897 0.05 2 970 172 172 LYS HE3 H 2.897 0.05 2 971 172 172 LYS HG2 H 1.594 0.05 2 972 172 172 LYS N N 112.059 0.3 1 973 173 173 LEU H H 7.771 0.05 1 974 173 173 LEU HA H 4.439 0.05 1 975 173 173 LEU HB2 H 1.089 0.05 2 976 173 173 LEU HB3 H 0.773 0.05 2 977 173 173 LEU HD1 H 0.371 0.05 2 978 173 173 LEU HD2 H -0.105 0.05 2 979 173 173 LEU HG H 0.773 0.05 1 980 173 173 LEU N N 117.683 0.3 1 981 174 174 ILE H H 8.061 0.05 1 982 174 174 ILE HA H 4.592 0.05 1 983 174 174 ILE HB H 1.991 0.05 1 984 174 174 ILE HD1 H 0.809 0.05 1 985 174 174 ILE HG12 H 1.020 0.05 9 986 174 174 ILE HG13 H 1.161 0.05 9 987 174 174 ILE HG2 H 0.809 0.05 1 988 174 174 ILE N N 121.019 0.3 1 989 175 175 PRO HA H 4.470 0.05 1 990 175 175 PRO HB2 H 1.753 0.05 2 991 175 175 PRO HB3 H 2.197 0.05 2 992 175 175 PRO HD2 H 3.657 0.05 2 993 175 175 PRO HD3 H 3.983 0.05 2 994 175 175 PRO HG2 H 1.753 0.05 2 995 175 175 PRO HG3 H 2.197 0.05 2 996 176 176 ASN H H 8.067 0.05 1 997 176 176 ASN HA H 4.470 0.05 1 998 176 176 ASN HB2 H 2.390 0.05 2 999 176 176 ASN HB3 H 3.197 0.05 2 1000 176 176 ASN N N 117.969 0.3 1 1001 177 177 THR H H 7.105 0.05 1 1002 177 177 THR HA H 4.310 0.05 1 1003 177 177 THR HB H 4.310 0.05 1 1004 177 177 THR HG2 H 0.795 0.05 1 1005 177 177 THR N N 112.250 0.3 1 1006 178 178 ASN H H 8.596 0.05 1 1007 178 178 ASN HA H 5.223 0.05 1 1008 178 178 ASN HB2 H 2.454 0.05 2 1009 178 178 ASN HB3 H 2.579 0.05 2 1010 178 178 ASN N N 124.641 0.3 1 1011 179 179 TYR H H 8.911 0.05 1 1012 179 179 TYR HA H 5.022 0.05 1 1013 179 179 TYR HB2 H 2.601 0.05 2 1014 179 179 TYR HB3 H 2.458 0.05 2 1015 179 179 TYR HD1 H 6.965 0.05 3 1016 179 179 TYR HD2 H 6.965 0.05 3 1017 179 179 TYR HE1 H 6.965 0.05 3 1018 179 179 TYR HE2 H 6.965 0.05 3 1019 179 179 TYR N N 124.518 0.3 1 1020 180 180 CYS H H 9.216 0.05 1 1021 180 180 CYS HA H 5.519 0.05 1 1022 180 180 CYS HB2 H 2.814 0.05 2 1023 180 180 CYS HB3 H 2.814 0.05 2 1024 180 180 CYS N N 116.799 0.3 1 1025 181 181 VAL H H 9.575 0.05 1 1026 181 181 VAL HA H 5.431 0.05 1 1027 181 181 VAL HB H 1.999 0.05 1 1028 181 181 VAL HG1 H 0.764 0.05 2 1029 181 181 VAL HG2 H 0.872 0.05 2 1030 181 181 VAL N N 123.254 0.3 1 1031 182 182 SER H H 8.403 0.05 1 1032 182 182 SER HA H 4.558 0.05 1 1033 182 182 SER HB2 H 3.488 0.05 2 1034 182 182 SER HB3 H 3.826 0.05 2 1035 182 182 SER N N 119.018 0.3 1 1036 183 183 VAL H H 8.303 0.05 1 1037 183 183 VAL HA H 5.205 0.05 1 1038 183 183 VAL HB H 1.482 0.05 1 1039 183 183 VAL HG1 H 0.142 0.05 2 1040 183 183 VAL HG2 H 0.246 0.05 2 1041 183 183 VAL N N 118.733 0.3 1 1042 184 184 TYR H H 8.475 0.05 1 1043 184 184 TYR HA H 4.760 0.05 1 1044 184 184 TYR HB2 H 2.881 0.05 2 1045 184 184 TYR HB3 H 3.562 0.05 2 1046 184 184 TYR HD1 H 6.577 0.05 3 1047 184 184 TYR HD2 H 6.577 0.05 3 1048 184 184 TYR N N 115.109 0.3 1 1049 185 185 LEU H H 9.195 0.05 1 1050 185 185 LEU HA H 5.236 0.05 1 1051 185 185 LEU HB2 H 1.242 0.05 2 1052 185 185 LEU HB3 H 1.586 0.05 2 1053 185 185 LEU HD1 H 0.870 0.05 2 1054 185 185 LEU HD2 H 0.718 0.05 2 1055 185 185 LEU HG H 1.283 0.05 1 1056 185 185 LEU N N 118.718 0.3 1 1057 186 186 GLU H H 8.913 0.05 1 1058 186 186 GLU HA H 4.579 0.05 1 1059 186 186 GLU HB2 H 1.889 0.05 2 1060 186 186 GLU HB3 H 2.042 0.05 2 1061 186 186 GLU HG2 H 2.042 0.05 2 1062 186 186 GLU HG3 H 2.042 0.05 2 1063 186 186 GLU N N 121.706 0.3 1 1064 189 189 ASP HB2 H 2.622 0.05 2 1065 189 189 ASP HB3 H 2.799 0.05 2 1066 190 190 GLU H H 8.554 0.05 1 1067 190 190 GLU HA H 4.115 0.05 1 1068 190 190 GLU HB2 H 2.052 0.05 2 1069 190 190 GLU HB3 H 2.079 0.05 2 1070 190 190 GLU HG2 H 2.244 0.05 2 1071 190 190 GLU HG3 H 2.244 0.05 2 1072 190 190 GLU N N 121.686 0.3 1 1073 191 191 GLN H H 8.005 0.05 1 1074 191 191 GLN HA H 4.294 0.05 1 1075 191 191 GLN HB2 H 2.092 0.05 2 1076 191 191 GLN HB3 H 2.183 0.05 2 1077 191 191 GLN HG2 H 2.387 0.05 2 1078 191 191 GLN HG3 H 2.387 0.05 2 1079 191 191 GLN N N 117.683 0.3 1 1080 192 192 ALA H H 8.127 0.05 1 1081 192 192 ALA HA H 4.373 0.05 1 1082 192 192 ALA HB H 1.246 0.05 1 1083 192 192 ALA N N 124.260 0.3 1 1084 193 193 VAL H H 7.407 0.05 1 1085 193 193 VAL HA H 4.373 0.05 1 1086 193 193 VAL HB H 1.774 0.05 1 1087 193 193 VAL HG1 H 0.518 0.05 2 1088 193 193 VAL HG2 H 0.848 0.05 2 1089 193 193 VAL N N 116.349 0.3 1 1090 194 194 ILE H H 8.664 0.05 1 1091 194 194 ILE HA H 4.181 0.05 1 1092 194 194 ILE HB H 1.809 0.05 1 1093 194 194 ILE HD1 H 0.836 0.05 1 1094 194 194 ILE HG12 H 1.013 0.05 9 1095 194 194 ILE HG13 H 1.526 0.05 9 1096 194 194 ILE HG2 H 0.836 0.05 1 1097 194 194 ILE N N 125.213 0.3 1 1098 195 195 LYS H H 8.485 0.05 1 1099 195 195 LYS HA H 4.398 0.05 1 1100 195 195 LYS HB2 H 1.823 0.05 2 1101 195 195 LYS HB3 H 1.526 0.05 2 1102 195 195 LYS HE2 H 2.204 0.05 2 1103 195 195 LYS HE3 H 2.499 0.05 2 1104 195 195 LYS HG2 H 0.264 0.05 2 1105 195 195 LYS HG3 H 1.022 0.05 2 1106 195 195 LYS N N 125.404 0.3 1 1107 196 196 SER H H 8.073 0.05 1 1108 196 196 SER HA H 4.575 0.05 1 1109 196 196 SER HB2 H 4.290 0.05 2 1110 196 196 SER HB3 H 4.744 0.05 2 1111 196 196 SER N N 117.683 0.3 1 1112 197 197 PRO HA H 4.559 0.05 1 1113 197 197 PRO HB2 H 1.828 0.05 2 1114 197 197 PRO HB3 H 2.448 0.05 2 1115 197 197 PRO HD2 H 3.826 0.05 2 1116 197 197 PRO HD3 H 3.922 0.05 2 1117 197 197 PRO HG2 H 2.085 0.05 2 1118 197 197 PRO HG3 H 2.085 0.05 2 1119 198 198 LEU H H 8.468 0.05 1 1120 198 198 LEU HA H 4.703 0.05 1 1121 198 198 LEU HB2 H 1.671 0.05 2 1122 198 198 LEU HB3 H 1.671 0.05 2 1123 198 198 LEU HD1 H 0.763 0.05 2 1124 198 198 LEU HD2 H 0.852 0.05 2 1125 198 198 LEU HG H 1.396 0.05 1 1126 198 198 LEU N N 123.879 0.3 1 1127 199 199 LYS H H 9.007 0.05 1 1128 199 199 LYS HA H 4.665 0.05 1 1129 199 199 LYS HB2 H 1.821 0.05 2 1130 199 199 LYS HB3 H 1.672 0.05 2 1131 199 199 LYS HD2 H 0.594 0.05 2 1132 199 199 LYS HE2 H 2.566 0.05 2 1133 199 199 LYS HE3 H 2.756 0.05 2 1134 199 199 LYS HG2 H 1.211 0.05 2 1135 199 199 LYS HG3 H 1.392 0.05 2 1136 199 199 LYS N N 123.005 0.3 1 1137 200 200 CYS H H 8.740 0.05 1 1138 200 200 CYS HA H 5.983 0.05 1 1139 200 200 CYS HB2 H 3.071 0.05 2 1140 200 200 CYS HB3 H 3.071 0.05 2 1141 200 200 CYS N N 120.638 0.3 1 1142 201 201 THR H H 9.404 0.05 1 1143 201 201 THR HA H 4.535 0.05 1 1144 201 201 THR HB H 3.856 0.05 1 1145 201 201 THR HG2 H 0.951 0.05 1 1146 201 201 THR N N 117.933 0.3 1 1147 202 202 LEU H H 7.777 0.05 1 1148 202 202 LEU HA H 4.701 0.05 1 1149 202 202 LEU HB2 H 1.667 0.05 2 1150 202 202 LEU HB3 H 1.341 0.05 2 1151 202 202 LEU HD1 H 0.787 0.05 2 1152 202 202 LEU HD2 H 0.620 0.05 2 1153 202 202 LEU HG H 1.341 0.05 1 1154 202 202 LEU N N 129.026 0.3 1 1155 203 203 LEU H H 8.358 0.05 1 1156 203 203 LEU HA H 4.324 0.05 1 1157 203 203 LEU HB2 H 1.898 0.05 2 1158 203 203 LEU HB3 H 1.898 0.05 2 1159 203 203 LEU HD1 H 0.795 0.05 2 1160 203 203 LEU HD2 H 0.972 0.05 2 1161 203 203 LEU HG H 1.700 0.05 1 1162 203 203 LEU N N 128.835 0.3 1 1163 204 204 PRO HA H 4.594 0.05 1 1164 205 205 PRO HA H 4.370 0.05 1 1165 205 205 PRO HB2 H 1.954 0.05 2 1166 205 205 PRO HB3 H 2.224 0.05 2 1167 205 205 PRO HD2 H 3.611 0.05 2 1168 205 205 PRO HD3 H 3.825 0.05 2 1169 205 205 PRO HG2 H 1.954 0.05 2 1170 205 205 PRO HG3 H 1.954 0.05 2 1171 206 206 GLY H H 8.258 0.05 1 1172 206 206 GLY HA2 H 3.825 0.05 2 1173 206 206 GLY HA3 H 4.048 0.05 2 1174 206 206 GLY N N 107.389 0.3 1 1175 207 207 GLN H H 8.333 0.05 1 1176 207 207 GLN HA H 4.426 0.05 1 1177 207 207 GLN N N 119.875 0.3 1 1178 208 208 GLU H H 8.706 0.05 1 1179 208 208 GLU HA H 4.282 0.05 1 1180 208 208 GLU HG2 H 2.288 0.05 2 1181 208 208 GLU HG3 H 2.288 0.05 2 1182 208 208 GLU N N 122.449 0.3 1 1183 209 209 SER H H 8.286 0.05 1 1184 209 209 SER N N 116.253 0.3 1 1185 210 210 GLU H H 8.356 0.05 1 1186 210 210 GLU HA H 4.183 0.05 1 1187 210 210 GLU HB2 H 1.899 0.05 2 1188 210 210 GLU HB3 H 1.724 0.05 2 1189 210 210 GLU HG2 H 2.037 0.05 2 1190 210 210 GLU HG3 H 2.037 0.05 2 1191 210 210 GLU N N 122.735 0.3 1 1192 211 211 PHE H H 8.103 0.05 1 1193 211 211 PHE HA H 4.683 0.05 1 1194 211 211 PHE HB2 H 2.922 0.05 2 1195 211 211 PHE N N 120.352 0.3 1 1196 212 212 SER H H 7.782 0.05 1 1197 212 212 SER N N 122.637 0.3 1 stop_ save_