data_6874 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural diversity in CBP/p160 complexes ; _BMRB_accession_number 6874 _BMRB_flat_file_name bmr6874.str _Entry_type original _Submission_date 2005-10-25 _Accession_date 2005-10-25 _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 Waters Lorna C. . 2 Yue Baigong . . 3 Veverka Vaclav . . 4 Renshaw Philip S. . 5 Bramham Janice . . 6 Matsuda Sachiko . . 7 Frenkiel Thomas A. . 8 Kelly Geoff . . 9 Muskett Fred W. . 10 Heery David M. . 11 Carr Mark D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 628 "13C chemical shifts" 352 "15N chemical shifts" 108 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-06-26 original author . stop_ _Original_release_date 2006-06-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Diversity in p160/CREB-binding Protein Coactivator Complexes' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16540468 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Waters Lorna C. . 2 Yue Baigong . . 3 Veverka Vaclav . . 4 Renshaw Philip S. . 5 Bramham Janice . . 6 Matsuda Sachiko . . 7 Frenkiel Thomas A. . 8 Kelly Geoff . . 9 Muskett Fred W. . 10 Carr Mark D. . 11 Heery David M. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 281 _Journal_issue 21 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 14787 _Page_last 14795 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_system_CBP-SID-SRC1-AD1 _Saveframe_category molecular_system _Mol_system_name 'CBP-SID domain in complex with SRC1-AD1 domain' _Abbreviation_common CBP-SID/SRC1-AD1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CBP SID DOMAIN' $CBP 'SRC1 AD1 DOMAIN' $SRC1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state heterodimer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CBP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'CREB-Binding Protein' _Abbreviation_common CBP _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 60 _Mol_residue_sequence ; MPNRSISPSALQDLLRTLKS PSSPQQQQQVLNILKSNPQL MAAFIKQRTAKYVANQPGMQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 MET 2 2059 PRO 3 2060 ASN 4 2061 ARG 5 2062 SER 6 2063 ILE 7 2064 SER 8 2065 PRO 9 2066 SER 10 2067 ALA 11 2068 LEU 12 2069 GLN 13 2070 ASP 14 2071 LEU 15 2072 LEU 16 2073 ARG 17 2074 THR 18 2075 LEU 19 2076 LYS 20 2077 SER 21 2078 PRO 22 2079 SER 23 2080 SER 24 2081 PRO 25 2082 GLN 26 2083 GLN 27 2084 GLN 28 2085 GLN 29 2086 GLN 30 2087 VAL 31 2088 LEU 32 2089 ASN 33 2090 ILE 34 2091 LEU 35 2092 LYS 36 2093 SER 37 2094 ASN 38 2095 PRO 39 2096 GLN 40 2097 LEU 41 2098 MET 42 2099 ALA 43 2100 ALA 44 2101 PHE 45 2102 ILE 46 2103 LYS 47 2104 GLN 48 2105 ARG 49 2106 THR 50 2107 ALA 51 2108 LYS 52 2109 TYR 53 2110 VAL 54 2111 ALA 55 2112 ASN 56 2113 GLN 57 2114 PRO 58 2115 GLY 59 2116 MET 60 2117 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2C52 "Structural Diversity In Cbp P160 Complexes" 86.76 59 100.00 100.00 2.54e-31 GB EPY77026 "nuclear receptor coactivator 1 isoform 2 isoform 3-like protein [Camelus ferus]" 63.24 1029 100.00 100.00 2.71e-17 GB KFO94678 "Nuclear receptor coactivator 1, partial [Buceros rhinoceros silvestris]" 63.24 1130 97.67 97.67 2.51e-16 GB KFQ55766 "Nuclear receptor coactivator 1, partial [Nestor notabilis]" 69.12 1472 97.87 97.87 1.40e-19 GB KFW05013 "Nuclear receptor coactivator 1, partial [Fulmarus glacialis]" 64.71 1408 97.73 97.73 1.76e-17 REF XP_004324562 "PREDICTED: nuclear receptor coactivator 1-like, partial [Tursiops truncatus]" 63.24 962 100.00 100.00 1.87e-17 REF XP_005443577 "PREDICTED: nuclear receptor coactivator 1 isoform X1 [Falco cherrug]" 69.12 1449 97.87 97.87 1.10e-19 REF XP_005443578 "PREDICTED: nuclear receptor coactivator 1 isoform X2 [Falco cherrug]" 69.12 1448 97.87 97.87 1.10e-19 REF XP_007110326 "PREDICTED: nuclear receptor coactivator 1-like isoform X1 [Physeter catodon]" 63.24 970 100.00 100.00 1.81e-17 REF XP_007110327 "PREDICTED: nuclear receptor coactivator 1-like isoform X2 [Physeter catodon]" 63.24 970 100.00 100.00 1.81e-17 stop_ save_ save_SRC1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Steroid Receptor Coactivator -1' _Abbreviation_common SRC1 _Molecular_mass . _Mol_thiol_state 'not present' _Details 'The residue number 3-53 corresponds to 920-970 in another numbering system.' _Residue_count 68 _Mol_residue_sequence ; MGPTTVEGRNDEKALLEQLV SFLSGKDETELAELDRALGI DKLVQGGGLDVLSKLVPRGS LEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 301 MET 2 302 GLY 3 303 PRO 4 304 THR 5 305 THR 6 306 VAL 7 307 GLU 8 308 GLY 9 309 ARG 10 310 ASN 11 311 ASP 12 312 GLU 13 313 LYS 14 314 ALA 15 315 LEU 16 316 LEU 17 317 GLU 18 318 GLN 19 319 LEU 20 320 VAL 21 321 SER 22 322 PHE 23 323 LEU 24 324 SER 25 325 GLY 26 326 LYS 27 327 ASP 28 328 GLU 29 329 THR 30 330 GLU 31 331 LEU 32 332 ALA 33 333 GLU 34 334 LEU 35 335 ASP 36 336 ARG 37 337 ALA 38 338 LEU 39 339 GLY 40 340 ILE 41 341 ASP 42 342 LYS 43 343 LEU 44 344 VAL 45 345 GLN 46 346 GLY 47 347 GLY 48 348 GLY 49 349 LEU 50 350 ASP 51 351 VAL 52 352 LEU 53 353 SER 54 354 LYS 55 355 LEU 56 356 VAL 57 357 PRO 58 358 ARG 59 359 GLY 60 360 SER 61 361 LEU 62 362 GLU 63 363 HIS 64 364 HIS 65 365 HIS 66 366 HIS 67 367 HIS 68 368 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CBP Mouse 10090 Eukaryota Metazoa Mus musculus $SRC1 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 $CBP 'recombinant technology' . . . . . $SRC1 'recombinant technology' . . . . . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CBP . mM 1.3 1.5 '[U-13C; U-15N]' $SRC1 . mM 1.3 1.5 '[U-13C; U-15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CBP . mM 1.3 1.5 [U-15N] $SRC1 . mM 1.3 1.5 [U-15N] stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H/1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H/1H TOCSY' _Sample_label . save_ save_1H/1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H/1H NOESY' _Sample_label . save_ save_15N/1H_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '15N/1H HSQC' _Sample_label . save_ save_15N/1H_TOCSY-HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '15N/1H TOCSY-HSQC' _Sample_label . save_ save_15N/1H_NOESY-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '15N/1H NOESY-HSQC' _Sample_label . save_ save_13C/1H_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '13C/1H HCCH-TOCSY' _Sample_label . save_ save_13C/1H_HMQC-NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '13C/1H HMQC-NOESY' _Sample_label . save_ save_15N/13C/1H_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '15N/13C/1H HNCACB' _Sample_label . save_ save_15N/13C/1H_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '15N/13C/1H CBCA(CO)NH' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H/1H TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H/1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '15N/1H HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '15N/1H TOCSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '15N/1H NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '13C/1H HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '13C/1H HMQC-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '15N/13C/1H HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '15N/13C/1H CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.2 pH temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_CBP-SID _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '1H/1H TOCSY' '1H/1H NOESY' '15N/1H HSQC' '15N/1H TOCSY-HSQC' '15N/1H NOESY-HSQC' '13C/1H HCCH-TOCSY' '13C/1H HMQC-NOESY' '15N/13C/1H HNCACB' '15N/13C/1H CBCA(CO)NH' stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'CBP SID DOMAIN' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 PRO CD C 50.2 0.000 1 2 . 2 PRO CA C 62.4 0.000 1 3 . 2 PRO HA H 4.72 0.002 1 4 . 2 PRO CB C 34.6 0.000 1 5 . 2 PRO HB2 H 2.43 0.001 2 6 . 2 PRO HB3 H 2.17 0.001 2 7 . 2 PRO CG C 24.6 0.000 1 8 . 2 PRO HG2 H 1.96 0.001 2 9 . 2 PRO HG3 H 1.86 0.001 2 10 . 2 PRO HD2 H 3.59 0.001 2 11 . 2 PRO HD3 H 3.56 0.000 2 12 . 3 ASN CA C 53.5 0.000 1 13 . 3 ASN HA H 4.76 0.002 1 14 . 3 ASN CB C 39.0 0.000 1 15 . 3 ASN HB2 H 2.88 0.011 2 16 . 3 ASN HB3 H 2.80 0.001 2 17 . 3 ASN ND2 N 112.7 0.000 1 18 . 3 ASN HD21 H 7.60 0.000 2 19 . 3 ASN HD22 H 6.94 0.000 2 20 . 4 ARG CA C 55.9 0.000 1 21 . 4 ARG HA H 4.43 0.001 1 22 . 4 ARG CB C 30.7 0.000 1 23 . 4 ARG HB2 H 1.92 0.001 2 24 . 4 ARG HB3 H 1.78 0.001 2 25 . 4 ARG CG C 27.2 0.000 1 26 . 4 ARG HG2 H 1.66 0.000 2 27 . 4 ARG HG3 H 1.65 0.000 2 28 . 4 ARG CD C 43.3 0.000 1 29 . 4 ARG HD2 H 3.22 0.001 1 30 . 4 ARG HD3 H 3.22 0.000 1 31 . 5 SER N N 117.6 0.000 1 32 . 5 SER H H 8.40 0.001 1 33 . 5 SER CA C 58.3 0.000 1 34 . 5 SER HA H 4.55 0.000 1 35 . 5 SER CB C 64.2 0.000 1 36 . 5 SER HB2 H 3.89 0.000 2 37 . 5 SER HB3 H 3.86 0.000 2 38 . 6 ILE N N 123.5 0.000 1 39 . 6 ILE H H 8.46 0.001 1 40 . 6 ILE CA C 60.9 0.000 1 41 . 6 ILE HA H 4.08 0.001 1 42 . 6 ILE CB C 39.3 0.014 1 43 . 6 ILE HB H 1.75 0.001 1 44 . 6 ILE HG2 H 0.87 0.001 1 45 . 6 ILE CG2 C 18.0 0.000 1 46 . 6 ILE CG1 C 28.0 0.010 1 47 . 6 ILE HG12 H 1.59 0.003 2 48 . 6 ILE HG13 H 0.95 0.003 2 49 . 6 ILE HD1 H 0.82 0.001 1 50 . 6 ILE CD1 C 13.5 0.000 1 51 . 7 SER N N 122.6 0.000 1 52 . 7 SER H H 8.46 0.000 1 53 . 7 SER CA C 55.2 0.000 1 54 . 7 SER HA H 4.80 0.000 1 55 . 7 SER CB C 63.4 0.000 1 56 . 7 SER HB2 H 4.07 0.003 2 57 . 7 SER HB3 H 3.89 0.000 2 58 . 8 PRO CD C 51.0 0.000 1 59 . 8 PRO CA C 65.0 0.000 1 60 . 8 PRO HA H 4.29 0.001 1 61 . 8 PRO CB C 32.0 0.000 1 62 . 8 PRO HB2 H 2.34 0.001 2 63 . 8 PRO HB3 H 2.02 0.002 2 64 . 8 PRO CG C 27.7 0.000 1 65 . 8 PRO HG2 H 2.21 0.001 2 66 . 8 PRO HG3 H 2.02 0.002 2 67 . 8 PRO HD2 H 4.11 0.001 2 68 . 8 PRO HD3 H 3.96 0.002 2 69 . 9 SER N N 113.7 0.000 1 70 . 9 SER H H 8.08 0.001 1 71 . 9 SER CA C 60.2 0.000 1 72 . 9 SER HA H 4.26 0.001 1 73 . 9 SER CB C 62.4 0.000 1 74 . 9 SER HB2 H 3.93 0.003 2 75 . 9 SER HB3 H 3.85 0.001 2 76 . 10 ALA N N 126.3 0.000 1 77 . 10 ALA H H 7.83 0.001 1 78 . 10 ALA CA C 54.8 0.000 1 79 . 10 ALA HA H 4.24 0.001 1 80 . 10 ALA HB H 1.42 0.002 1 81 . 10 ALA CB C 18.6 0.000 1 82 . 11 LEU N N 118.3 0.000 1 83 . 11 LEU H H 7.86 0.000 1 84 . 11 LEU CA C 58.3 0.000 1 85 . 11 LEU HA H 3.93 0.000 1 86 . 11 LEU CB C 41.5 0.000 1 87 . 11 LEU HB2 H 1.77 0.006 2 88 . 11 LEU HB3 H 1.61 0.001 2 89 . 11 LEU HD1 H 0.90 0.003 2 90 . 11 LEU HD2 H 0.86 0.003 2 91 . 11 LEU CD1 C 25.9 0.000 1 92 . 11 LEU CD2 C 25.9 0.000 1 93 . 12 GLN N N 118.1 0.000 1 94 . 12 GLN H H 8.16 0.000 1 95 . 12 GLN CA C 59.0 0.000 1 96 . 12 GLN HA H 3.93 0.002 1 97 . 12 GLN CB C 28.0 0.000 1 98 . 12 GLN HB2 H 2.18 0.002 2 99 . 12 GLN HB3 H 2.12 0.004 2 100 . 12 GLN CG C 33.9 0.000 1 101 . 12 GLN HG2 H 2.43 0.000 1 102 . 12 GLN HG3 H 2.43 0.000 1 103 . 13 ASP N N 121.2 0.000 1 104 . 13 ASP H H 8.27 0.000 1 105 . 13 ASP CA C 57.2 0.000 1 106 . 13 ASP HA H 4.41 0.001 1 107 . 13 ASP CB C 40.1 0.000 1 108 . 13 ASP HB2 H 2.84 0.001 2 109 . 13 ASP HB3 H 2.60 0.000 2 110 . 14 LEU N N 123.5 0.000 1 111 . 14 LEU H H 8.60 0.000 1 112 . 14 LEU CA C 58.2 0.024 1 113 . 14 LEU HA H 3.94 0.000 1 114 . 14 LEU CB C 41.1 0.011 1 115 . 14 LEU HD1 H 0.92 0.000 2 116 . 14 LEU CD1 C 24.3 0.000 1 117 . 15 LEU N N 119.3 0.000 1 118 . 15 LEU H H 8.42 0.000 1 119 . 15 LEU CA C 58.4 0.000 1 120 . 15 LEU HA H 3.64 0.001 1 121 . 15 LEU CB C 41.1 0.085 1 122 . 15 LEU HB2 H 1.76 0.002 2 123 . 15 LEU HB3 H 1.27 0.003 2 124 . 15 LEU CG C 27.1 0.000 1 125 . 15 LEU HG H 1.63 0.001 1 126 . 15 LEU HD1 H 0.77 0.002 2 127 . 15 LEU HD2 H 0.58 0.001 2 128 . 15 LEU CD1 C 25.3 0.000 1 129 . 15 LEU CD2 C 22.9 0.000 1 130 . 16 ARG N N 117.6 0.000 1 131 . 16 ARG H H 8.05 0.001 1 132 . 16 ARG CA C 59.3 0.027 1 133 . 16 ARG HA H 3.90 0.002 1 134 . 16 ARG CB C 30.2 0.000 1 135 . 16 ARG HB2 H 1.93 0.005 1 136 . 16 ARG HB3 H 1.93 0.000 1 137 . 16 ARG CG C 27.7 0.000 1 138 . 16 ARG HG2 H 1.73 0.003 2 139 . 16 ARG HG3 H 1.58 0.002 2 140 . 16 ARG CD C 43.0 0.000 1 141 . 16 ARG HD2 H 3.25 0.000 2 142 . 16 ARG HD3 H 3.23 0.003 2 143 . 17 THR N N 116.5 0.000 1 144 . 17 THR H H 7.99 0.001 1 145 . 17 THR CA C 66.5 0.000 1 146 . 17 THR HA H 3.94 0.001 1 147 . 17 THR CB C 68.4 0.054 1 148 . 17 THR HB H 4.16 0.000 1 149 . 17 THR HG2 H 1.24 0.000 1 150 . 17 THR CG2 C 23.2 0.000 1 151 . 18 LEU N N 122.6 0.000 1 152 . 18 LEU H H 8.55 0.000 1 153 . 18 LEU CA C 57.1 0.000 1 154 . 18 LEU HA H 3.94 0.002 1 155 . 18 LEU CB C 42.1 0.000 1 156 . 18 LEU HB2 H 1.78 0.000 2 157 . 18 LEU HB3 H 1.39 0.003 2 158 . 18 LEU CG C 26.9 0.000 1 159 . 18 LEU HG H 1.77 0.006 1 160 . 18 LEU HD1 H 0.82 0.001 2 161 . 18 LEU HD2 H 0.79 0.002 2 162 . 18 LEU CD1 C 26.2 0.000 1 163 . 18 LEU CD2 C 26.4 0.000 1 164 . 19 LYS N N 116.5 0.000 1 165 . 19 LYS H H 7.39 0.000 1 166 . 19 LYS CA C 57.0 0.080 1 167 . 19 LYS HA H 4.31 0.002 1 168 . 19 LYS CB C 32.7 0.000 1 169 . 19 LYS HB2 H 2.01 0.002 2 170 . 19 LYS HB3 H 1.76 0.001 2 171 . 19 LYS CG C 25.9 0.000 1 172 . 19 LYS HG2 H 1.51 0.002 2 173 . 19 LYS HG3 H 1.43 0.001 2 174 . 19 LYS CD C 29.3 0.000 1 175 . 19 LYS HD2 H 1.62 0.003 2 176 . 19 LYS HD3 H 1.61 0.002 2 177 . 19 LYS CE C 41.9 0.000 1 178 . 19 LYS HE2 H 2.90 0.003 2 179 . 19 LYS HE3 H 2.79 0.004 2 180 . 20 SER N N 117.9 0.000 1 181 . 20 SER H H 7.41 0.000 1 182 . 20 SER CA C 58.0 0.000 1 183 . 20 SER HA H 4.74 0.000 1 184 . 20 SER CB C 62.7 0.000 1 185 . 20 SER HB2 H 4.10 0.000 2 186 . 20 SER HB3 H 4.02 0.001 2 187 . 21 PRO CD C 50.5 0.000 1 188 . 21 PRO CA C 63.0 0.000 1 189 . 21 PRO HA H 4.36 0.002 1 190 . 21 PRO CB C 32.0 0.000 1 191 . 21 PRO HB2 H 2.36 0.002 2 192 . 21 PRO HB3 H 1.83 0.002 2 193 . 21 PRO CG C 27.7 0.000 1 194 . 21 PRO HG2 H 2.11 0.002 2 195 . 21 PRO HG3 H 2.10 0.000 2 196 . 21 PRO HD2 H 3.91 0.004 2 197 . 21 PRO HD3 H 3.63 0.000 2 198 . 22 SER N N 117.4 0.000 1 199 . 22 SER H H 8.45 0.001 1 200 . 22 SER CA C 59.0 0.000 1 201 . 22 SER HA H 4.30 0.000 1 202 . 22 SER CB C 63.1 0.030 1 203 . 22 SER HB2 H 3.90 0.001 2 204 . 22 SER HB3 H 3.84 0.000 2 205 . 23 SER N N 119.8 0.000 1 206 . 23 SER H H 7.84 0.003 1 207 . 23 SER CA C 56.9 0.000 1 208 . 23 SER HA H 4.89 0.001 1 209 . 23 SER CB C 63.0 0.000 1 210 . 23 SER HB2 H 4.24 0.003 2 211 . 23 SER HB3 H 4.12 0.004 2 212 . 24 PRO CD C 50.5 0.000 1 213 . 24 PRO CA C 65.5 0.013 1 214 . 24 PRO HA H 4.39 0.001 1 215 . 24 PRO CB C 31.8 0.000 1 216 . 24 PRO HB2 H 2.46 0.001 2 217 . 24 PRO HB3 H 1.95 0.002 2 218 . 24 PRO CG C 28.0 0.000 1 219 . 24 PRO HG2 H 2.21 0.001 2 220 . 24 PRO HG3 H 2.06 0.000 2 221 . 24 PRO HD2 H 3.92 0.003 1 222 . 24 PRO HD3 H 3.92 0.000 1 223 . 25 GLN N N 117.2 0.000 1 224 . 25 GLN H H 8.24 0.000 1 225 . 25 GLN CA C 59.0 0.000 1 226 . 25 GLN HA H 4.11 0.002 1 227 . 25 GLN CB C 27.7 0.006 1 228 . 25 GLN HB2 H 2.11 0.001 2 229 . 25 GLN HB3 H 2.02 0.002 2 230 . 25 GLN CG C 34.2 0.000 1 231 . 25 GLN HG2 H 2.48 0.002 2 232 . 25 GLN HG3 H 2.41 0.000 2 233 . 26 GLN N N 124.4 0.000 1 234 . 26 GLN H H 8.05 0.000 1 235 . 26 GLN CA C 59.1 0.002 1 236 . 26 GLN CB C 27.1 0.020 1 237 . 27 GLN N N 119.5 0.000 1 238 . 27 GLN H H 8.33 0.000 1 239 . 27 GLN CA C 59.3 0.000 1 240 . 27 GLN HA H 3.73 0.001 1 241 . 27 GLN CB C 28.0 0.000 1 242 . 27 GLN HB2 H 2.28 0.004 2 243 . 27 GLN HB3 H 1.95 0.001 2 244 . 27 GLN CG C 34.3 0.000 1 245 . 27 GLN HG2 H 2.59 0.001 2 246 . 27 GLN HG3 H 2.27 0.004 2 247 . 28 GLN N N 117.9 0.000 1 248 . 28 GLN H H 7.89 0.002 1 249 . 28 GLN CA C 58.3 0.000 1 250 . 28 GLN HA H 3.93 0.001 1 251 . 28 GLN CB C 28.0 0.000 1 252 . 28 GLN HB2 H 2.17 0.002 1 253 . 28 GLN HB3 H 2.17 0.000 1 254 . 28 GLN CG C 33.9 0.000 1 255 . 28 GLN HG2 H 2.44 0.003 2 256 . 28 GLN HG3 H 2.43 0.001 2 257 . 29 GLN N N 119.8 0.000 1 258 . 29 GLN H H 7.97 0.000 1 259 . 29 GLN CA C 59.1 0.000 1 260 . 29 GLN HA H 4.13 0.000 1 261 . 29 GLN CB C 28.3 0.000 1 262 . 29 GLN HB2 H 2.30 0.002 2 263 . 29 GLN HB3 H 2.11 0.000 2 264 . 29 GLN CG C 33.9 0.000 1 265 . 29 GLN HG2 H 2.51 0.001 2 266 . 29 GLN HG3 H 2.41 0.000 2 267 . 30 VAL N N 120.0 0.000 1 268 . 30 VAL H H 8.14 0.001 1 269 . 30 VAL CA C 67.4 0.000 1 270 . 30 VAL HA H 3.31 0.001 1 271 . 30 VAL CB C 31.2 0.000 1 272 . 30 VAL HB H 2.24 0.001 1 273 . 30 VAL HG1 H 0.96 0.003 2 274 . 30 VAL HG2 H 0.66 0.002 2 275 . 30 VAL CG1 C 23.4 0.000 1 276 . 30 VAL CG2 C 21.5 0.000 1 277 . 31 LEU N N 119.0 0.000 1 278 . 31 LEU H H 8.00 0.000 1 279 . 31 LEU CA C 58.4 0.000 1 280 . 31 LEU HA H 3.76 0.001 1 281 . 31 LEU CB C 41.1 0.000 1 282 . 31 LEU HB2 H 1.75 0.002 2 283 . 31 LEU HB3 H 1.59 0.002 2 284 . 31 LEU HG H 1.68 0.004 1 285 . 31 LEU HD1 H 0.85 0.005 2 286 . 31 LEU HD2 H 0.83 0.001 2 287 . 31 LEU CD1 C 24.5 0.000 1 288 . 31 LEU CD2 C 24.3 0.000 1 289 . 32 ASN N N 117.2 0.000 1 290 . 32 ASN H H 8.34 0.001 1 291 . 32 ASN CA C 56.1 0.000 1 292 . 32 ASN HA H 4.37 0.001 1 293 . 32 ASN CB C 37.9 0.000 1 294 . 32 ASN HB2 H 2.93 0.002 2 295 . 32 ASN HB3 H 2.82 0.002 2 296 . 32 ASN ND2 N 111.5 0.000 1 297 . 32 ASN HD21 H 7.55 0.000 2 298 . 32 ASN HD22 H 6.96 0.000 2 299 . 33 ILE N N 122.3 0.000 1 300 . 33 ILE H H 8.03 0.001 1 301 . 33 ILE CA C 65.5 0.000 1 302 . 33 ILE HA H 3.69 0.001 1 303 . 33 ILE CB C 38.2 0.000 1 304 . 33 ILE HB H 1.86 0.002 1 305 . 33 ILE HG2 H 0.86 0.001 1 306 . 33 ILE CG2 C 18.0 0.000 1 307 . 33 ILE CG1 C 28.8 0.000 1 308 . 33 ILE HG12 H 1.03 0.003 2 309 . 33 ILE HG13 H 1.02 0.004 2 310 . 33 ILE HD1 H 0.73 0.001 1 311 . 33 ILE CD1 C 14.0 0.000 1 312 . 34 LEU N N 120.0 0.000 1 313 . 34 LEU H H 8.27 0.000 1 314 . 34 LEU CA C 58.4 0.000 1 315 . 34 LEU HA H 3.89 0.001 1 316 . 34 LEU CB C 40.9 0.000 1 317 . 34 LEU HB2 H 1.87 0.002 2 318 . 34 LEU HB3 H 1.34 0.001 2 319 . 34 LEU CG C 25.9 0.000 1 320 . 34 LEU HG H 1.78 0.003 1 321 . 34 LEU HD1 H 0.55 0.002 2 322 . 34 LEU HD2 H 0.25 0.002 2 323 . 34 LEU CD1 C 22.7 0.000 1 324 . 34 LEU CD2 C 25.9 0.000 1 325 . 35 LYS N N 116.5 0.000 1 326 . 35 LYS H H 8.67 0.000 1 327 . 35 LYS CA C 59.0 0.000 1 328 . 35 LYS HA H 3.94 0.002 1 329 . 35 LYS CB C 32.3 0.000 1 330 . 35 LYS HB2 H 1.87 0.003 1 331 . 35 LYS HB3 H 1.87 0.000 1 332 . 35 LYS CG C 25.9 0.000 1 333 . 35 LYS HG2 H 1.61 0.001 2 334 . 35 LYS HG3 H 1.40 0.002 2 335 . 35 LYS CD C 29.3 0.000 1 336 . 35 LYS HD2 H 1.64 0.002 2 337 . 35 LYS HD3 H 1.65 0.000 2 338 . 35 LYS CE C 41.8 0.055 1 339 . 35 LYS HE2 H 2.90 0.003 1 340 . 35 LYS HE3 H 2.90 0.001 1 341 . 36 SER N N 111.8 0.000 1 342 . 36 SER H H 7.49 0.000 1 343 . 36 SER CA C 59.4 0.000 1 344 . 36 SER HA H 4.50 0.000 1 345 . 36 SER CB C 64.2 0.000 1 346 . 36 SER HB2 H 4.00 0.000 1 347 . 36 SER HB3 H 4.00 0.000 1 348 . 37 ASN N N 118.8 0.000 1 349 . 37 ASN H H 7.36 0.000 1 350 . 37 ASN CA C 51.5 0.000 1 351 . 37 ASN HA H 5.33 0.001 1 352 . 37 ASN CB C 41.4 0.000 1 353 . 37 ASN HB2 H 2.79 0.003 2 354 . 37 ASN HB3 H 2.59 0.002 2 355 . 38 PRO CD C 50.5 0.000 1 356 . 38 PRO CA C 65.8 0.000 1 357 . 38 PRO HA H 4.41 0.002 1 358 . 38 PRO CB C 32.3 0.000 1 359 . 38 PRO HB2 H 2.42 0.005 2 360 . 38 PRO HB3 H 2.00 0.002 2 361 . 38 PRO CG C 27.5 0.027 1 362 . 38 PRO HG2 H 2.16 0.002 2 363 . 38 PRO HG3 H 2.07 0.001 2 364 . 38 PRO HD2 H 3.92 0.003 2 365 . 38 PRO HD3 H 3.62 0.002 2 366 . 39 GLN N N 118.3 0.000 1 367 . 39 GLN H H 8.97 0.000 1 368 . 39 GLN CA C 59.0 0.000 1 369 . 39 GLN HA H 4.21 0.001 1 370 . 39 GLN CB C 28.3 0.000 1 371 . 39 GLN HB2 H 2.11 0.001 2 372 . 39 GLN HB3 H 2.05 0.002 2 373 . 39 GLN CG C 34.2 0.000 1 374 . 39 GLN HG2 H 2.47 0.002 2 375 . 39 GLN HG3 H 2.42 0.002 2 376 . 40 LEU N N 121.9 0.000 1 377 . 40 LEU H H 7.85 0.000 1 378 . 40 LEU CA C 56.9 0.000 1 379 . 40 LEU HA H 4.21 0.003 1 380 . 40 LEU CB C 41.7 0.000 1 381 . 40 LEU HB2 H 1.77 0.012 2 382 . 40 LEU CG C 26.9 0.000 1 383 . 40 LEU HG H 1.66 0.000 1 384 . 40 LEU HD1 H 0.87 0.000 2 385 . 40 LEU HD2 H 0.81 0.002 2 386 . 40 LEU CD2 C 24.8 0.000 1 387 . 41 MET N N 119.8 0.000 1 388 . 41 MET H H 8.21 0.000 1 389 . 42 ALA N N 120.0 0.000 1 390 . 42 ALA H H 8.17 0.001 1 391 . 42 ALA CA C 55.2 0.000 1 392 . 42 ALA HA H 4.04 0.000 1 393 . 42 ALA HB H 1.51 0.002 1 394 . 42 ALA CB C 18.1 0.000 1 395 . 43 ALA N N 120.9 0.000 1 396 . 43 ALA H H 7.55 0.000 1 397 . 43 ALA CA C 54.9 0.000 1 398 . 43 ALA HA H 4.13 0.000 1 399 . 43 ALA HB H 1.52 0.000 1 400 . 43 ALA CB C 18.1 0.000 1 401 . 44 PHE N N 120.5 0.000 1 402 . 44 PHE H H 8.58 0.000 1 403 . 44 PHE CA C 62.3 0.000 1 404 . 44 PHE HA H 3.87 0.000 1 405 . 44 PHE CB C 40.2 0.000 1 406 . 44 PHE HB2 H 3.44 0.000 2 407 . 44 PHE HB3 H 2.98 0.002 2 408 . 44 PHE HD1 H 6.98 0.000 1 409 . 44 PHE HD2 H 6.98 0.000 1 410 . 44 PHE HE1 H 7.20 0.001 1 411 . 44 PHE HE2 H 7.20 0.001 1 412 . 45 ILE N N 118.8 0.000 1 413 . 45 ILE H H 8.80 0.001 1 414 . 45 ILE CA C 65.8 0.000 1 415 . 45 ILE HA H 3.46 0.001 1 416 . 45 ILE CB C 37.9 0.000 1 417 . 45 ILE HB H 1.96 0.008 1 418 . 45 ILE HG2 H 0.85 0.001 1 419 . 45 ILE CG2 C 17.5 0.064 1 420 . 45 ILE CG1 C 29.9 0.013 1 421 . 45 ILE HG12 H 1.13 0.001 1 422 . 45 ILE HG13 H 1.13 0.001 1 423 . 45 ILE HD1 H 0.91 0.003 1 424 . 45 ILE CD1 C 13.8 0.000 1 425 . 46 LYS N N 121.6 0.000 1 426 . 46 LYS H H 8.14 0.003 1 427 . 46 LYS CA C 59.9 0.000 1 428 . 46 LYS HA H 3.93 0.003 1 429 . 46 LYS CB C 32.2 0.096 1 430 . 46 LYS HB2 H 1.94 0.002 2 431 . 46 LYS HB3 H 1.87 0.000 2 432 . 46 LYS CG C 25.1 0.000 1 433 . 46 LYS HG2 H 1.52 0.004 2 434 . 46 LYS HG3 H 1.38 0.003 2 435 . 46 LYS CD C 29.3 0.000 1 436 . 46 LYS HD2 H 1.68 0.002 2 437 . 46 LYS HD3 H 1.66 0.000 2 438 . 46 LYS CE C 41.9 0.000 1 439 . 46 LYS HE2 H 2.94 0.002 1 440 . 46 LYS HE3 H 2.94 0.000 1 441 . 47 GLN N N 117.6 0.000 1 442 . 47 GLN H H 7.66 0.000 1 443 . 47 GLN CA C 58.3 0.000 1 444 . 47 GLN HA H 4.04 0.002 1 445 . 47 GLN CB C 27.1 0.000 1 446 . 47 GLN HB2 H 2.11 0.001 2 447 . 47 GLN HB3 H 1.88 0.000 2 448 . 47 GLN CG C 33.9 0.000 1 449 . 47 GLN HG2 H 2.46 0.002 2 450 . 47 GLN HG3 H 2.22 0.002 2 451 . 48 ARG N N 117.4 0.000 1 452 . 48 ARG H H 8.14 0.002 1 453 . 48 ARG CA C 56.4 0.000 1 454 . 48 ARG HA H 4.30 0.000 1 455 . 48 ARG CB C 28.8 0.000 1 456 . 48 ARG HB2 H 1.66 0.005 2 457 . 48 ARG HB3 H 1.67 0.000 2 458 . 48 ARG CG C 25.1 0.000 1 459 . 48 ARG HG2 H 1.49 0.000 2 460 . 48 ARG HG3 H 1.42 0.002 2 461 . 48 ARG CD C 41.9 0.000 1 462 . 48 ARG HD2 H 2.97 0.003 1 463 . 48 ARG HD3 H 2.97 0.000 1 464 . 49 THR N N 110.6 0.000 1 465 . 49 THR H H 8.18 0.000 1 466 . 49 THR CA C 64.4 0.000 1 467 . 49 THR HA H 4.11 0.001 1 468 . 49 THR CB C 69.3 0.013 1 469 . 49 THR HB H 4.31 0.003 1 470 . 49 THR HG2 H 1.22 0.001 1 471 . 49 THR CG2 C 21.8 0.000 1 472 . 50 ALA N N 124.2 0.000 1 473 . 50 ALA H H 7.46 0.001 1 474 . 50 ALA CA C 54.5 0.000 1 475 . 50 ALA HA H 4.16 0.000 1 476 . 50 ALA HB H 1.46 0.000 1 477 . 50 ALA CB C 18.0 0.000 1 478 . 51 LYS N N 117.4 0.000 1 479 . 51 LYS H H 7.73 0.000 1 480 . 51 LYS CA C 56.9 0.000 1 481 . 51 LYS HA H 4.11 0.000 1 482 . 51 LYS CB C 31.8 0.000 1 483 . 51 LYS HB2 H 1.72 0.002 1 484 . 51 LYS HB3 H 1.72 0.002 1 485 . 51 LYS CG C 24.3 0.000 1 486 . 51 LYS HG2 H 1.26 0.002 2 487 . 51 LYS HG3 H 1.20 0.002 2 488 . 51 LYS CD C 28.5 0.000 1 489 . 51 LYS HD2 H 1.55 0.004 1 490 . 51 LYS HD3 H 1.55 0.002 1 491 . 51 LYS CE C 41.8 0.000 1 492 . 51 LYS HE2 H 2.90 0.001 1 493 . 51 LYS HE3 H 2.90 0.001 1 494 . 52 TYR N N 119.8 0.000 1 495 . 52 TYR H H 7.84 0.001 1 496 . 52 TYR CA C 59.3 0.000 1 497 . 52 TYR HA H 4.40 0.000 1 498 . 52 TYR CB C 39.0 0.000 1 499 . 52 TYR HB2 H 3.12 0.000 2 500 . 52 TYR HB3 H 2.94 0.004 2 501 . 52 TYR HD1 H 7.11 0.000 1 502 . 52 TYR HD2 H 7.11 0.000 1 503 . 52 TYR HE1 H 6.77 0.000 1 504 . 52 TYR HE2 H 6.77 0.000 1 505 . 53 VAL N N 120.2 0.000 1 506 . 53 VAL H H 7.88 0.002 1 507 . 53 VAL CA C 63.0 0.000 1 508 . 53 VAL HA H 3.96 0.001 1 509 . 53 VAL CB C 32.5 0.075 1 510 . 53 VAL HB H 2.10 0.005 1 511 . 53 VAL HG1 H 0.99 0.001 2 512 . 53 VAL HG2 H 0.94 0.003 2 513 . 53 VAL CG1 C 21.3 0.000 1 514 . 53 VAL CG2 C 21.3 0.000 1 515 . 54 ALA N N 125.6 0.000 1 516 . 54 ALA H H 8.02 0.000 1 517 . 54 ALA CA C 52.9 0.000 1 518 . 54 ALA HA H 4.25 0.001 1 519 . 54 ALA HB H 1.41 0.002 1 520 . 54 ALA CB C 18.9 0.000 1 521 . 55 ASN N N 117.2 0.000 1 522 . 55 ASN H H 8.09 0.000 1 523 . 55 ASN CA C 52.9 0.000 1 524 . 55 ASN HA H 4.69 0.002 1 525 . 55 ASN CB C 39.0 0.000 1 526 . 55 ASN HB2 H 2.82 0.004 2 527 . 55 ASN HB3 H 2.72 0.002 2 528 . 55 ASN ND2 N 113.0 0.000 1 529 . 55 ASN HD21 H 7.63 0.001 2 530 . 55 ASN HD22 H 6.90 0.000 2 531 . 56 GLN N N 121.6 0.000 1 532 . 56 GLN H H 8.06 0.000 1 533 . 56 GLN CA C 53.7 0.000 1 534 . 56 GLN HA H 4.58 0.001 1 535 . 56 GLN CB C 28.8 0.000 1 536 . 56 GLN HB2 H 2.09 0.000 2 537 . 56 GLN HB3 H 1.95 0.001 2 538 . 56 GLN CG C 33.4 0.000 1 539 . 56 GLN HG2 H 2.36 0.001 1 540 . 56 GLN HG3 H 2.36 0.001 1 541 . 57 PRO CD C 50.5 0.000 1 542 . 57 PRO CA C 63.6 0.000 1 543 . 57 PRO HA H 4.41 0.002 1 544 . 57 PRO CB C 32.0 0.000 1 545 . 57 PRO HB2 H 2.30 0.002 2 546 . 57 PRO HB3 H 1.94 0.001 2 547 . 57 PRO CG C 27.5 0.000 1 548 . 57 PRO HG2 H 2.06 0.001 2 549 . 57 PRO HG3 H 2.01 0.002 2 550 . 57 PRO HD2 H 3.78 0.001 2 551 . 57 PRO HD3 H 3.66 0.001 2 552 . 58 GLY N N 109.7 0.000 1 553 . 58 GLY H H 8.53 0.000 1 554 . 58 GLY CA C 45.1 0.025 1 555 . 58 GLY HA2 H 3.96 0.000 1 556 . 58 GLY HA3 H 3.96 0.000 1 557 . 59 MET N N 120.2 0.000 1 558 . 59 MET H H 8.08 0.000 1 559 . 59 MET HB2 H 2.13 0.000 2 560 . 59 MET HB3 H 2.02 0.000 2 561 . 59 MET HG2 H 2.62 0.000 2 562 . 59 MET HG3 H 2.51 0.000 2 stop_ save_ save_chemical_shift_SRC1-AD1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'SRC1 AD1 DOMAIN' _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 PRO CD C 49.6 0.000 1 2 . 3 PRO CA C 63.0 0.000 1 3 . 3 PRO HA H 4.53 0.001 1 4 . 3 PRO CB C 32.3 0.000 1 5 . 3 PRO HB2 H 2.31 0.001 2 6 . 3 PRO HB3 H 1.98 0.003 2 7 . 3 PRO CG C 27.1 0.000 1 8 . 3 PRO HG2 H 2.04 0.003 2 9 . 3 PRO HG3 H 2.03 0.003 2 10 . 3 PRO HD2 H 3.66 0.003 1 11 . 3 PRO HD3 H 3.66 0.002 1 12 . 4 THR N N 114.6 0.000 1 13 . 4 THR H H 8.37 0.001 1 14 . 4 THR CA C 61.8 0.000 1 15 . 4 THR HA H 4.42 0.001 1 16 . 4 THR CB C 69.8 0.000 1 17 . 4 THR HB H 4.25 0.000 1 18 . 4 THR HG2 H 1.23 0.000 1 19 . 4 THR CG2 C 21.5 0.000 1 20 . 5 THR N N 117.2 0.000 1 21 . 5 THR H H 8.14 0.000 1 22 . 5 THR CA C 61.5 0.000 1 23 . 5 THR HA H 4.42 0.001 1 24 . 5 THR CB C 70.1 0.000 1 25 . 5 THR HB H 4.24 0.000 1 26 . 5 THR HG2 H 1.20 0.002 1 27 . 5 THR CG2 C 21.5 0.000 1 28 . 6 VAL N N 123.0 0.000 1 29 . 6 VAL H H 8.27 0.000 1 30 . 6 VAL CA C 62.6 0.000 1 31 . 6 VAL HA H 4.11 0.001 1 32 . 6 VAL CB C 32.6 0.000 1 33 . 6 VAL HB H 2.07 0.000 1 34 . 6 VAL HG1 H 0.93 0.001 1 35 . 6 VAL HG2 H 0.93 0.000 1 36 . 6 VAL CG1 C 21.0 0.000 1 37 . 6 VAL CG2 C 21.0 0.000 1 38 . 7 GLU N N 125.1 0.000 1 39 . 7 GLU H H 8.54 0.000 1 40 . 7 GLU CA C 56.9 0.000 1 41 . 7 GLU HA H 4.27 0.001 1 42 . 7 GLU CB C 30.2 0.000 1 43 . 7 GLU HB2 H 2.05 0.006 2 44 . 7 GLU HB3 H 1.97 0.004 2 45 . 7 GLU CG C 36.3 0.000 1 46 . 7 GLU HG2 H 2.27 0.001 1 47 . 7 GLU HG3 H 2.27 0.002 1 48 . 8 GLY N N 110.6 0.000 1 49 . 8 GLY H H 8.47 0.000 1 50 . 8 GLY CA C 45.3 0.014 1 51 . 8 GLY HA2 H 3.96 0.000 1 52 . 8 GLY HA3 H 3.96 0.000 1 53 . 9 ARG N N 120.9 0.000 1 54 . 9 ARG H H 8.19 0.000 1 55 . 9 ARG CA C 56.2 0.000 1 56 . 9 ARG HA H 4.34 0.003 1 57 . 9 ARG CB C 30.7 0.000 1 58 . 9 ARG HB2 H 1.89 0.003 2 59 . 9 ARG HB3 H 1.78 0.000 2 60 . 9 ARG CG C 26.9 0.000 1 61 . 9 ARG HG2 H 1.60 0.004 1 62 . 9 ARG HG3 H 1.60 0.000 1 63 . 9 ARG CD C 43.3 0.000 1 64 . 9 ARG HD2 H 3.20 0.000 1 65 . 9 ARG HD3 H 3.20 0.000 1 66 . 10 ASN CA C 53.5 0.000 1 67 . 10 ASN HA H 4.72 0.001 1 68 . 10 ASN CB C 38.7 0.000 1 69 . 10 ASN HB2 H 2.85 0.000 2 70 . 10 ASN HB3 H 2.78 0.002 2 71 . 10 ASN ND2 N 113.4 0.000 1 72 . 10 ASN HD21 H 7.69 0.000 2 73 . 10 ASN HD22 H 7.01 0.000 2 74 . 11 ASP N N 121.4 0.000 1 75 . 11 ASP H H 8.26 0.001 1 76 . 11 ASP CA C 54.8 0.000 1 77 . 11 ASP HA H 4.58 0.001 1 78 . 11 ASP CB C 40.9 0.000 1 79 . 11 ASP HB2 H 2.74 0.000 2 80 . 11 ASP HB3 H 2.70 0.000 2 81 . 12 GLU N N 121.9 0.000 1 82 . 12 GLU H H 8.53 0.001 1 83 . 12 GLU CA C 59.6 0.000 1 84 . 12 GLU HA H 3.94 0.001 1 85 . 12 GLU CB C 29.6 0.000 1 86 . 12 GLU HB2 H 2.08 0.001 2 87 . 12 GLU HB3 H 2.09 0.000 2 88 . 12 GLU CG C 36.9 0.000 1 89 . 12 GLU HG2 H 2.29 0.001 2 90 . 12 GLU HG3 H 2.25 0.001 2 91 . 13 LYS N N 119.5 0.000 1 92 . 13 LYS H H 8.06 0.000 1 93 . 13 LYS CA C 59.3 0.000 1 94 . 13 LYS HA H 4.01 0.004 1 95 . 13 LYS CB C 32.3 0.000 1 96 . 13 LYS HB2 H 1.88 0.004 1 97 . 13 LYS HB3 H 1.88 0.000 1 98 . 13 LYS CG C 25.1 0.000 1 99 . 13 LYS HG2 H 1.52 0.003 2 100 . 13 LYS HG3 H 1.41 0.003 2 101 . 13 LYS CD C 29.0 0.000 1 102 . 13 LYS HD2 H 1.69 0.003 2 103 . 13 LYS HD3 H 1.70 0.000 2 104 . 13 LYS CE C 41.9 0.000 1 105 . 13 LYS HE2 H 3.00 0.001 1 106 . 13 LYS HE3 H 3.00 0.001 1 107 . 14 ALA N N 122.1 0.000 1 108 . 14 ALA H H 7.93 0.001 1 109 . 14 ALA CA C 54.5 0.000 1 110 . 14 ALA HA H 4.21 0.003 1 111 . 14 ALA HB H 1.49 0.002 1 112 . 14 ALA CB C 18.4 0.000 1 113 . 15 LEU N N 119.8 0.000 1 114 . 15 LEU H H 8.02 0.001 1 115 . 15 LEU CA C 57.4 0.000 1 116 . 15 LEU HA H 4.06 0.003 1 117 . 15 LEU CB C 41.9 0.000 1 118 . 15 LEU HB2 H 1.86 0.003 2 119 . 15 LEU HB3 H 1.46 0.001 2 120 . 15 LEU CG C 27.1 0.000 1 121 . 15 LEU HG H 1.75 0.002 1 122 . 15 LEU HD1 H 0.87 0.001 2 123 . 15 LEU HD2 H 0.85 0.000 2 124 . 15 LEU CD1 C 25.9 0.000 1 125 . 15 LEU CD2 C 25.5 0.000 1 126 . 16 LEU N N 120.0 0.000 1 127 . 16 LEU H H 8.22 0.002 1 128 . 16 LEU CA C 58.0 0.000 1 129 . 16 LEU HA H 4.01 0.002 1 130 . 16 LEU CB C 41.4 0.000 1 131 . 16 LEU HB2 H 1.83 0.001 2 132 . 16 LEU HB3 H 1.66 0.002 2 133 . 16 LEU CG C 26.9 0.000 1 134 . 16 LEU HG H 1.75 0.004 1 135 . 16 LEU HD1 H 0.90 0.002 2 136 . 16 LEU HD2 H 0.86 0.003 2 137 . 16 LEU CD1 C 24.8 0.000 1 138 . 16 LEU CD2 C 24.3 0.000 1 139 . 17 GLU N N 118.8 0.000 1 140 . 17 GLU H H 8.03 0.002 1 141 . 17 GLU CA C 59.3 0.000 1 142 . 17 GLU HA H 3.99 0.002 1 143 . 17 GLU CB C 29.0 0.000 1 144 . 17 GLU HB2 H 2.20 0.003 2 145 . 17 GLU HB3 H 2.08 0.002 2 146 . 17 GLU CG C 36.5 0.000 1 147 . 17 GLU HG2 H 2.46 0.003 2 148 . 17 GLU HG3 H 2.26 0.004 2 149 . 18 GLN N N 119.5 0.000 1 150 . 18 GLN H H 7.96 0.000 1 151 . 18 GLN CA C 59.1 0.000 1 152 . 18 GLN HA H 4.13 0.004 1 153 . 18 GLN CB C 28.5 0.000 1 154 . 18 GLN HB2 H 2.15 0.000 2 155 . 18 GLN HB3 H 2.11 0.000 2 156 . 18 GLN CG C 33.9 0.000 1 157 . 18 GLN HG2 H 2.51 0.000 2 158 . 18 GLN HG3 H 2.41 0.000 2 159 . 19 LEU N N 121.9 0.000 1 160 . 19 LEU H H 8.19 0.001 1 161 . 19 LEU CA C 58.3 0.000 1 162 . 19 LEU HA H 4.15 0.000 1 163 . 19 LEU CB C 41.4 0.000 1 164 . 19 LEU HB2 H 2.15 0.003 2 165 . 19 LEU HB3 H 1.76 0.001 2 166 . 19 LEU HD1 H 0.93 0.002 2 167 . 19 LEU HD2 H 0.87 0.000 2 168 . 20 VAL N N 119.5 0.000 1 169 . 20 VAL H H 8.38 0.000 1 170 . 20 VAL CA C 67.4 0.000 1 171 . 20 VAL HA H 3.49 0.001 1 172 . 20 VAL CB C 31.5 0.000 1 173 . 20 VAL HB H 2.16 0.001 1 174 . 20 VAL HG1 H 1.04 0.001 2 175 . 20 VAL HG2 H 0.93 0.001 2 176 . 20 VAL CG1 C 22.9 0.000 1 177 . 20 VAL CG2 C 21.3 0.000 1 178 . 21 SER N N 116.5 0.000 1 179 . 21 SER H H 8.32 0.001 1 180 . 21 SER CA C 61.5 0.000 1 181 . 21 SER HA H 4.21 0.000 1 182 . 21 SER CB C 62.7 0.000 1 183 . 21 SER HB2 H 4.00 0.000 2 184 . 21 SER HB3 H 3.98 0.002 2 185 . 22 PHE N N 122.8 0.000 1 186 . 22 PHE H H 8.19 0.002 1 187 . 22 PHE CA C 61.2 0.000 1 188 . 22 PHE HA H 4.26 0.000 1 189 . 22 PHE CB C 39.3 0.000 1 190 . 22 PHE HB2 H 3.38 0.002 2 191 . 22 PHE HB3 H 3.23 0.002 2 192 . 22 PHE HD1 H 7.20 0.005 1 193 . 22 PHE HD2 H 7.20 0.005 1 194 . 22 PHE HE1 H 7.26 0.002 1 195 . 22 PHE HE2 H 7.26 0.002 1 196 . 23 LEU N N 118.6 0.000 1 197 . 23 LEU H H 8.45 0.001 1 198 . 23 LEU CA C 57.1 0.000 1 199 . 23 LEU HA H 3.81 0.001 1 200 . 23 LEU CB C 41.8 0.000 1 201 . 23 LEU HB2 H 1.88 0.003 2 202 . 23 LEU HB3 H 1.39 0.001 2 203 . 23 LEU CG C 26.9 0.000 1 204 . 23 LEU HG H 2.03 0.003 1 205 . 23 LEU HD1 H 0.86 0.002 2 206 . 23 LEU HD2 H 0.66 0.001 2 207 . 23 LEU CD1 C 22.9 0.000 1 208 . 23 LEU CD2 C 25.5 0.000 1 209 . 24 SER N N 113.9 0.000 1 210 . 24 SER H H 8.09 0.001 1 211 . 24 SER CA C 60.7 0.000 1 212 . 24 SER HA H 4.22 0.001 1 213 . 24 SER CB C 62.8 0.000 1 214 . 24 SER HB2 H 3.99 0.001 2 215 . 24 SER HB3 H 3.95 0.000 2 216 . 25 GLY N N 107.8 0.000 1 217 . 25 GLY H H 7.47 0.000 1 218 . 25 GLY CA C 44.8 0.015 1 219 . 26 LYS N N 121.2 0.000 1 220 . 26 LYS H H 7.13 0.001 1 221 . 26 LYS CA C 54.3 0.000 1 222 . 26 LYS HA H 4.36 0.004 1 223 . 26 LYS CB C 33.4 0.000 1 224 . 26 LYS HB2 H 1.74 0.008 2 225 . 26 LYS HB3 H 1.68 0.000 2 226 . 26 LYS CG C 24.5 0.000 1 227 . 26 LYS HG2 H 1.30 0.002 2 228 . 26 LYS HG3 H 1.26 0.000 2 229 . 26 LYS CD C 28.5 0.000 1 230 . 26 LYS HD2 H 1.52 0.003 2 231 . 26 LYS HD3 H 1.48 0.000 2 232 . 26 LYS CE C 41.9 0.000 1 233 . 26 LYS HE2 H 2.77 0.004 2 234 . 26 LYS HE3 H 2.68 0.002 2 235 . 27 ASP N N 123.3 0.000 1 236 . 27 ASP H H 8.73 0.000 1 237 . 27 ASP CA C 54.0 0.000 1 238 . 27 ASP HA H 4.54 0.001 1 239 . 27 ASP CB C 42.1 0.000 1 240 . 27 ASP HB2 H 2.84 0.002 2 241 . 27 ASP HB3 H 2.71 0.003 2 242 . 28 GLU N N 123.3 0.000 1 243 . 28 GLU H H 8.84 0.000 1 244 . 28 GLU CA C 59.3 0.000 1 245 . 28 GLU HA H 4.03 0.002 1 246 . 28 GLU CB C 29.6 0.000 1 247 . 28 GLU HB2 H 2.08 0.003 1 248 . 28 GLU HB3 H 2.08 0.000 1 249 . 28 GLU CG C 36.2 0.000 1 250 . 28 GLU HG2 H 2.33 0.002 1 251 . 28 GLU HG3 H 2.33 0.003 1 252 . 29 THR N N 114.6 0.000 1 253 . 29 THR H H 8.45 0.000 1 254 . 29 THR CA C 65.5 0.000 1 255 . 29 THR HA H 4.10 0.002 1 256 . 29 THR CB C 68.4 0.054 1 257 . 29 THR HB H 4.28 0.001 1 258 . 29 THR HG2 H 1.30 0.004 1 259 . 29 THR CG2 C 21.8 0.030 1 260 . 30 GLU N N 122.3 0.000 1 261 . 30 GLU H H 7.91 0.001 1 262 . 30 GLU CA C 58.6 0.000 1 263 . 30 GLU HA H 4.22 0.001 1 264 . 30 GLU CB C 30.2 0.000 1 265 . 30 GLU HB2 H 2.27 0.000 2 266 . 30 GLU HB3 H 2.08 0.008 2 267 . 30 GLU CG C 36.8 0.000 1 268 . 30 GLU HG2 H 2.46 0.003 2 269 . 30 GLU HG3 H 2.26 0.007 2 270 . 31 LEU N N 121.2 0.000 1 271 . 31 LEU H H 8.26 0.000 1 272 . 31 LEU CA C 55.0 0.006 1 273 . 31 LEU CB C 40.6 0.010 1 274 . 32 ALA N N 122.1 0.000 1 275 . 32 ALA H H 7.98 0.002 1 276 . 32 ALA CA C 54.9 0.000 1 277 . 32 ALA HA H 4.25 0.002 1 278 . 32 ALA HB H 1.56 0.003 1 279 . 32 ALA CB C 18.1 0.000 1 280 . 33 GLU N N 117.6 0.000 1 281 . 33 GLU H H 7.94 0.001 1 282 . 33 GLU CA C 59.0 0.000 1 283 . 33 GLU HA H 4.12 0.000 1 284 . 33 GLU CB C 28.7 0.000 1 285 . 33 GLU HB2 H 2.16 0.000 2 286 . 33 GLU HB3 H 2.09 0.000 2 287 . 33 GLU CG C 36.3 0.000 1 288 . 33 GLU HG2 H 2.42 0.006 2 289 . 33 GLU HG3 H 2.32 0.000 2 290 . 34 LEU N N 123.3 0.000 1 291 . 34 LEU H H 7.77 0.001 1 292 . 34 LEU CA C 58.0 0.000 1 293 . 34 LEU HA H 4.14 0.004 1 294 . 34 LEU CB C 41.4 0.000 1 295 . 34 LEU HB2 H 2.02 0.004 2 296 . 34 LEU HB3 H 1.78 0.000 2 297 . 34 LEU CG C 27.1 0.000 1 298 . 34 LEU HG H 1.84 0.006 1 299 . 34 LEU HD1 H 0.97 0.001 2 300 . 34 LEU HD2 H 0.90 0.000 2 301 . 34 LEU CD1 C 24.8 0.000 1 302 . 34 LEU CD2 C 24.8 0.000 1 303 . 35 ASP N N 120.2 0.000 1 304 . 35 ASP H H 8.71 0.000 1 305 . 35 ASP CA C 57.3 0.090 1 306 . 35 ASP CB C 39.9 0.002 1 307 . 36 ARG N N 119.0 0.000 1 308 . 36 ARG H H 7.86 0.001 1 309 . 36 ARG CA C 58.3 0.000 1 310 . 36 ARG HA H 4.16 0.008 1 311 . 36 ARG CB C 29.9 0.000 1 312 . 36 ARG HB2 H 1.91 0.002 1 313 . 36 ARG HB3 H 1.91 0.002 1 314 . 36 ARG CG C 27.7 0.000 1 315 . 36 ARG HG2 H 1.59 0.000 1 316 . 36 ARG HG3 H 1.59 0.000 1 317 . 36 ARG CD C 43.4 0.000 1 318 . 36 ARG HD2 H 3.26 0.000 2 319 . 36 ARG HD3 H 3.23 0.003 2 320 . 37 ALA N N 124.2 0.000 1 321 . 37 ALA H H 8.08 0.001 1 322 . 37 ALA CA C 54.6 0.000 1 323 . 37 ALA HA H 4.16 0.001 1 324 . 37 ALA HB H 1.54 0.003 1 325 . 37 ALA CB C 18.6 0.000 1 326 . 38 LEU N N 115.5 0.000 1 327 . 38 LEU H H 8.06 0.000 1 328 . 38 LEU CA C 54.9 0.000 1 329 . 38 LEU HA H 4.26 0.006 1 330 . 38 LEU CB C 42.7 0.000 1 331 . 38 LEU HB2 H 1.78 0.001 2 332 . 38 LEU HB3 H 1.58 0.002 2 333 . 38 LEU CG C 26.9 0.000 1 334 . 38 LEU HG H 1.79 0.000 1 335 . 38 LEU HD1 H 0.78 0.003 2 336 . 38 LEU HD2 H 0.72 0.004 2 337 . 38 LEU CD1 C 23.4 0.000 1 338 . 38 LEU CD2 C 26.2 0.000 1 339 . 39 GLY N N 107.6 0.000 1 340 . 39 GLY H H 7.80 0.000 1 341 . 39 GLY CA C 45.9 0.011 1 342 . 39 GLY HA2 H 4.03 0.000 1 343 . 39 GLY HA3 H 4.03 0.000 1 344 . 40 ILE N N 117.2 0.000 1 345 . 40 ILE H H 8.19 0.001 1 346 . 40 ILE CA C 62.3 0.000 1 347 . 40 ILE HA H 3.96 0.003 1 348 . 40 ILE CB C 38.2 0.000 1 349 . 40 ILE HB H 1.92 0.002 1 350 . 40 ILE HG2 H 0.76 0.002 1 351 . 40 ILE CG2 C 17.3 0.000 1 352 . 40 ILE CG1 C 28.0 0.000 1 353 . 40 ILE HG12 H 1.50 0.002 1 354 . 40 ILE HG13 H 1.50 0.002 1 355 . 40 ILE HD1 H 0.94 0.002 1 356 . 40 ILE CD1 C 13.5 0.000 1 357 . 41 ASP N N 119.3 0.000 1 358 . 41 ASP H H 8.69 0.000 1 359 . 41 ASP CA C 56.1 0.000 1 360 . 41 ASP HA H 3.98 0.001 1 361 . 41 ASP CB C 39.0 0.000 1 362 . 41 ASP HB2 H 2.57 0.005 2 363 . 41 ASP HB3 H 2.47 0.000 2 364 . 42 LYS N N 118.8 0.000 1 365 . 42 LYS H H 7.61 0.000 1 366 . 42 LYS CA C 57.1 0.000 1 367 . 42 LYS HA H 4.11 0.002 1 368 . 42 LYS CB C 32.3 0.000 1 369 . 42 LYS HB2 H 1.85 0.000 2 370 . 42 LYS HB3 H 1.80 0.000 2 371 . 42 LYS CG C 24.8 0.000 1 372 . 42 LYS HG2 H 1.46 0.007 2 373 . 42 LYS HG3 H 1.38 0.000 2 374 . 42 LYS CD C 28.8 0.000 1 375 . 42 LYS HD2 H 1.66 0.002 2 376 . 42 LYS HD3 H 1.64 0.000 2 377 . 42 LYS CE C 41.9 0.000 1 378 . 42 LYS HE2 H 2.99 0.003 1 379 . 42 LYS HE3 H 2.99 0.000 1 380 . 43 LEU N N 120.9 0.000 1 381 . 43 LEU H H 7.63 0.002 1 382 . 43 LEU CA C 56.7 0.000 1 383 . 43 LEU HA H 4.15 0.002 1 384 . 43 LEU CB C 42.2 0.000 1 385 . 43 LEU HB2 H 1.76 0.000 2 386 . 43 LEU HB3 H 1.57 0.000 2 387 . 43 LEU HD1 H 0.88 0.000 2 388 . 43 LEU HD2 H 0.83 0.000 2 389 . 43 LEU CD1 C 24.9 0.000 1 390 . 43 LEU CD2 C 23.7 0.000 1 391 . 44 VAL N N 117.4 0.000 1 392 . 44 VAL H H 7.79 0.000 1 393 . 44 VAL CA C 63.7 0.000 1 394 . 44 VAL HA H 3.82 0.001 1 395 . 44 VAL CB C 32.1 0.034 1 396 . 44 VAL HB H 2.01 0.002 1 397 . 44 VAL HG1 H 0.83 0.003 2 398 . 44 VAL HG2 H 0.80 0.001 2 399 . 44 VAL CG1 C 20.9 0.000 1 400 . 44 VAL CG2 C 21.3 0.000 1 401 . 45 GLN N N 120.2 0.000 1 402 . 45 GLN H H 7.93 0.003 1 403 . 45 GLN CA C 56.7 0.000 1 404 . 45 GLN HA H 4.16 0.002 1 405 . 45 GLN CB C 28.8 0.000 1 406 . 45 GLN HB2 H 2.13 0.002 2 407 . 45 GLN HB3 H 2.01 0.002 2 408 . 45 GLN CG C 33.7 0.000 1 409 . 45 GLN HG2 H 2.41 0.001 2 410 . 45 GLN HG3 H 2.35 0.007 2 411 . 46 GLY N N 108.5 0.000 1 412 . 46 GLY H H 8.09 0.000 1 413 . 46 GLY CA C 45.4 0.021 1 414 . 46 GLY HA2 H 3.99 0.000 1 415 . 46 GLY HA3 H 3.99 0.000 1 416 . 47 GLY N N 108.7 0.000 1 417 . 47 GLY H H 8.15 0.000 1 418 . 47 GLY CA C 45.1 0.028 1 419 . 47 GLY HA2 H 3.99 0.000 1 420 . 47 GLY HA3 H 3.99 0.000 1 421 . 48 GLY N N 109.0 0.000 1 422 . 48 GLY H H 8.34 0.001 1 423 . 48 GLY CA C 45.2 0.024 1 424 . 48 GLY HA2 H 3.96 0.000 1 425 . 48 GLY HA3 H 3.96 0.000 1 426 . 49 LEU N N 121.2 0.000 1 427 . 49 LEU H H 8.11 0.003 1 428 . 49 LEU CA C 54.9 0.000 1 429 . 49 LEU HA H 4.35 0.000 1 430 . 49 LEU CB C 42.1 0.000 1 431 . 49 LEU HB2 H 1.62 0.000 2 432 . 49 LEU HD1 H 0.92 0.000 2 433 . 49 LEU HD2 H 0.87 0.000 2 434 . 50 ASP N N 120.9 0.000 1 435 . 50 ASP H H 8.36 0.000 1 436 . 50 ASP CA C 54.5 0.000 1 437 . 50 ASP HA H 4.58 0.002 1 438 . 50 ASP CB C 40.9 0.000 1 439 . 50 ASP HB2 H 2.73 0.001 2 440 . 50 ASP HB3 H 2.64 0.000 2 441 . 51 VAL N N 119.3 0.000 1 442 . 51 VAL H H 7.86 0.002 1 443 . 51 VAL CA C 63.7 0.000 1 444 . 51 VAL HA H 3.95 0.002 1 445 . 51 VAL CB C 32.1 0.000 1 446 . 51 VAL HB H 2.14 0.001 1 447 . 51 VAL HG1 H 0.96 0.001 2 448 . 51 VAL HG2 H 0.93 0.003 2 449 . 51 VAL CG1 C 21.0 0.000 1 450 . 51 VAL CG2 C 21.3 0.000 1 451 . 52 LEU N N 122.6 0.000 1 452 . 52 LEU H H 8.10 0.000 1 453 . 52 LEU CA C 55.9 0.000 1 454 . 52 LEU HA H 4.22 0.001 1 455 . 52 LEU CB C 41.9 0.000 1 456 . 52 LEU HB2 H 1.65 0.004 2 457 . 52 LEU HD1 H 0.90 0.001 2 458 . 52 LEU HD2 H 0.84 0.001 2 459 . 52 LEU CD1 C 25.1 0.000 1 460 . 52 LEU CD2 C 23.7 0.000 1 461 . 53 SER N N 115.3 0.000 1 462 . 53 SER H H 8.07 0.001 1 463 . 53 SER CA C 59.4 0.000 1 464 . 53 SER HA H 4.29 0.003 1 465 . 53 SER CB C 63.0 0.000 1 466 . 53 SER HB2 H 3.92 0.004 2 467 . 53 SER HB3 H 3.84 0.000 2 468 . 56 VAL N N 124.0 0.000 1 469 . 56 VAL H H 8.16 0.000 1 470 . 56 VAL CA C 59.6 0.000 1 471 . 56 VAL HA H 4.38 0.003 1 472 . 56 VAL CB C 32.6 0.000 1 473 . 56 VAL HB H 2.09 0.000 1 474 . 56 VAL HG1 H 0.93 0.006 2 475 . 56 VAL HG2 H 0.91 0.004 2 476 . 56 VAL CG1 C 21.0 0.000 1 477 . 56 VAL CG2 C 20.5 0.000 1 478 . 57 PRO CD C 50.8 0.000 1 479 . 57 PRO CA C 63.0 0.000 1 480 . 57 PRO HA H 4.42 0.001 1 481 . 57 PRO CB C 32.0 0.000 1 482 . 57 PRO HB2 H 2.28 0.004 2 483 . 57 PRO HB3 H 1.89 0.002 2 484 . 57 PRO CG C 27.4 0.000 1 485 . 57 PRO HG2 H 2.04 0.003 2 486 . 57 PRO HG3 H 1.95 0.001 2 487 . 57 PRO HD2 H 3.82 0.002 2 488 . 57 PRO HD3 H 3.62 0.001 2 489 . 58 ARG N N 122.3 0.000 1 490 . 58 ARG H H 8.51 0.000 1 491 . 58 ARG CA C 56.5 0.000 1 492 . 58 ARG HA H 4.27 0.000 1 493 . 58 ARG CB C 30.7 0.000 1 494 . 58 ARG HB2 H 1.86 0.001 2 495 . 58 ARG HB3 H 1.80 0.000 2 496 . 58 ARG CG C 26.9 0.000 1 497 . 58 ARG HG2 H 1.67 0.000 1 498 . 58 ARG HG3 H 1.67 0.001 1 499 . 58 ARG CD C 43.3 0.000 1 500 . 58 ARG HD2 H 3.19 0.002 1 501 . 58 ARG HD3 H 3.19 0.002 1 502 . 59 GLY N N 110.8 0.000 1 503 . 59 GLY H H 8.54 0.003 1 504 . 59 GLY CA C 45.1 0.003 1 505 . 59 GLY HA2 H 3.97 0.000 1 506 . 59 GLY HA3 H 3.97 0.000 1 507 . 60 SER N N 116.0 0.000 1 508 . 60 SER H H 8.19 0.001 1 509 . 60 SER CA C 58.6 0.000 1 510 . 60 SER HA H 4.42 0.001 1 511 . 60 SER CB C 63.7 0.000 1 512 . 60 SER HB2 H 3.88 0.002 2 513 . 60 SER HB3 H 3.83 0.002 2 514 . 61 LEU N N 124.2 0.000 1 515 . 61 LEU H H 8.33 0.002 1 516 . 61 LEU CA C 55.2 0.000 1 517 . 61 LEU HA H 4.33 0.002 1 518 . 61 LEU CB C 42.1 0.000 1 519 . 61 LEU HB2 H 1.59 0.004 2 520 . 61 LEU HB3 H 1.55 0.000 2 521 . 61 LEU CG C 26.9 0.000 1 522 . 61 LEU HG H 1.69 0.012 1 523 . 61 LEU HD1 H 0.89 0.001 2 524 . 61 LEU HD2 H 0.83 0.001 2 525 . 61 LEU CD1 C 25.3 0.000 1 526 . 61 LEU CD2 C 23.4 0.000 1 stop_ save_