data_4790 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Resonance Assignments of the SNT PTB Domain in Complex with FGFR1 Peptide ; _BMRB_accession_number 4790 _BMRB_flat_file_name bmr4790.str _Entry_type original _Submission_date 2000-07-19 _Accession_date 2000-07-20 _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 Dhalluin Christophe . . 2 Yan Kelley S. . 3 Plotnikova Olga . . 4 Zeng Lei . . 5 Goldfarb Mitchell P. . 6 Zhou Ming-Ming . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 703 "13C chemical shifts" 354 "15N chemical shifts" 110 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-08-01 original author . stop_ _Original_release_date 2001-08-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N Resonance Assignments of the SNT PTB Domain in Complex with FGFR1 Peptide ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21040573 _PubMed_ID 11200536 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dhalluin Christophe . . 2 Yan Kelley S. . 3 Plotnikova Olga . . 4 Zeng Lei . . 5 Goldfarb Mitchell P. . 6 Zhou Ming-Ming . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 18 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 371 _Page_last 372 _Year 2000 _Details . loop_ _Keyword NMR Structure 'PTB Domain' SNT Receptor stop_ save_ ################################## # Molecular system description # ################################## save_system_SNT _Saveframe_category molecular_system _Mol_system_name 'SNT PTB domain' _Abbreviation_common SNT _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SNT PTB domain' $SNT FGFR $FGFR stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SNT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'suc1-associated neurotrophic factor target' _Name_variant FRS2a _Abbreviation_common SNT _Molecular_mass 13000 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 118 _Mol_residue_sequence ; TVPDNHRNKFKVINVDDDGN ELGSGIMELTDTELILYTRK RDSVKWHYLCLRRYGYDSNL FSFESGRRCQTGQGIFAFKC ARAEELFNMLQEIMQNNSIN VVEEPVVERNNHQTELEV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 12 THR 2 13 VAL 3 14 PRO 4 15 ASP 5 16 ASN 6 17 HIS 7 18 ARG 8 19 ASN 9 20 LYS 10 21 PHE 11 22 LYS 12 23 VAL 13 24 ILE 14 25 ASN 15 26 VAL 16 27 ASP 17 28 ASP 18 29 ASP 19 30 GLY 20 31 ASN 21 32 GLU 22 33 LEU 23 34 GLY 24 35 SER 25 36 GLY 26 37 ILE 27 38 MET 28 39 GLU 29 40 LEU 30 41 THR 31 42 ASP 32 43 THR 33 44 GLU 34 45 LEU 35 46 ILE 36 47 LEU 37 48 TYR 38 49 THR 39 50 ARG 40 51 LYS 41 52 ARG 42 53 ASP 43 54 SER 44 55 VAL 45 56 LYS 46 57 TRP 47 58 HIS 48 59 TYR 49 60 LEU 50 61 CYS 51 62 LEU 52 63 ARG 53 64 ARG 54 65 TYR 55 66 GLY 56 67 TYR 57 68 ASP 58 69 SER 59 70 ASN 60 71 LEU 61 72 PHE 62 73 SER 63 74 PHE 64 75 GLU 65 76 SER 66 77 GLY 67 78 ARG 68 79 ARG 69 80 CYS 70 81 GLN 71 82 THR 72 83 GLY 73 84 GLN 74 85 GLY 75 86 ILE 76 87 PHE 77 88 ALA 78 89 PHE 79 90 LYS 80 91 CYS 81 92 ALA 82 93 ARG 83 94 ALA 84 95 GLU 85 96 GLU 86 97 LEU 87 98 PHE 88 99 ASN 89 100 MET 90 101 LEU 91 102 GLN 92 103 GLU 93 104 ILE 94 105 MET 95 106 GLN 96 107 ASN 97 108 ASN 98 109 SER 99 110 ILE 100 111 ASN 101 112 VAL 102 113 VAL 103 114 GLU 104 115 GLU 105 116 PRO 106 117 VAL 107 118 VAL 108 119 GLU 109 120 ARG 110 121 ASN 111 122 ASN 112 123 HIS 113 124 GLN 114 125 THR 115 126 GLU 116 127 LEU 117 128 GLU 118 129 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 1XR0 "Structural Basis Of Snt Ptb Domain Interactions With Distinct Neurotrophic Receptors" 100.00 22 100.00 100.00 4.61e-05 DBJ BAA02059 "FGF receptor-1 [Rattus norvegicus]" 100.00 822 100.00 100.00 2.07e-04 DBJ BAC25899 "unnamed protein product [Mus musculus]" 100.00 733 100.00 100.00 2.84e-04 DBJ BAD96438 "fibroblast growth factor receptor 1 isoform 2 precursor variant [Homo sapiens]" 100.00 820 100.00 100.00 2.23e-04 DBJ BAE72950 "hypothetical protein [Macaca fascicularis]" 100.00 511 100.00 100.00 2.61e-04 DBJ BAF84443 "unnamed protein product [Homo sapiens]" 100.00 820 100.00 100.00 2.65e-04 EMBL CAA36101 "unnamed protein product [Homo sapiens]" 100.00 822 100.00 100.00 3.03e-04 EMBL CAA36175 "precursor polypeptide (AA -21 to 799) [Mus musculus]" 100.00 820 100.00 100.00 2.75e-04 EMBL CAA37015 "unnamed protein product [Homo sapiens]" 100.00 822 100.00 100.00 2.83e-04 EMBL CAA40401 "Fibroblast Growth Factor Receptor, 2-Ig Domain+2 AA insert [Homo sapiens]" 100.00 733 100.00 100.00 2.98e-04 EMBL CAA40402 "Fibroblast Growth Factor Receptor, 3 Ig-Domain Form [Homo sapiens]" 100.00 820 100.00 100.00 2.65e-04 GB AAA35835 "FGF receptor-1 precursor [Homo sapiens]" 100.00 820 100.00 100.00 2.89e-04 GB AAA35836 "fibroblast growth factor receptor (FGFr) transmembrane form [Homo sapiens]" 100.00 733 100.00 100.00 2.98e-04 GB AAA35837 "fibroblast growth factor receptor (FGFr) transmembrane form [Homo sapiens]" 100.00 731 100.00 100.00 2.73e-04 GB AAA35840 "fibroblast growth factor receptor [Homo sapiens]" 100.00 820 100.00 100.00 2.65e-04 GB AAA35958 "heparin-binding growth factor receptor [Homo sapiens]" 100.00 822 100.00 100.00 2.65e-04 PRF 1908208A "fibroblast growth factor receptor 1" 100.00 822 100.00 100.00 2.07e-04 PRF 2103285A "fibroblast growth factor receptor 1" 100.00 822 100.00 100.00 2.89e-04 REF NP_001073377 "fibroblast growth factor receptor 1 isoform 2 precursor [Mus musculus]" 100.00 820 100.00 100.00 2.65e-04 REF NP_001073378 "fibroblast growth factor receptor 1 isoform 3 precursor [Mus musculus]" 100.00 733 100.00 100.00 2.84e-04 REF NP_001103677 "fibroblast growth factor receptor 1 precursor [Bos taurus]" 100.00 820 100.00 100.00 3.24e-04 REF NP_001127472 "fibroblast growth factor receptor 1 precursor [Pongo abelii]" 100.00 820 100.00 100.00 2.65e-04 REF NP_001167536 "fibroblast growth factor receptor 1 isoform 2 precursor [Homo sapiens]" 100.00 820 100.00 100.00 2.65e-04 SP P11362 "RecName: Full=Fibroblast growth factor receptor 1; Short=FGFR-1; AltName: Full=Basic fibroblast growth factor receptor 1; Short" 100.00 822 100.00 100.00 2.83e-04 SP P16092 "RecName: Full=Fibroblast growth factor receptor 1; Short=FGFR-1; Short=bFGF-R-1; AltName: Full=Basic fibroblast growth factor r" 100.00 822 100.00 100.00 2.81e-04 SP Q04589 "RecName: Full=Fibroblast growth factor receptor 1; Short=FGFR-1; Short=bFGF-R-1; AltName: Full=Basic fibroblast growth factor r" 100.00 822 100.00 100.00 2.07e-04 TPG DAA14429 "TPA: fibroblast growth factor receptor 1 [Bos taurus]" 100.00 820 100.00 100.00 3.24e-04 stop_ save_ save_FGFR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FGFR _Abbreviation_common FGFR _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 22 _Mol_residue_sequence ; HSQMAVHKLAKSIPLRRQVT VS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 409 HIS 2 410 SER 3 411 GLN 4 412 MET 5 413 ALA 6 414 VAL 7 415 HIS 8 416 LYS 9 417 LEU 10 418 ALA 11 419 LYS 12 420 SER 13 421 ILE 14 422 PRO 15 423 LEU 16 424 ARG 17 425 ARG 18 426 GLN 19 427 VAL 20 428 THR 21 429 VAL 22 430 SER stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value SWISS-PROT P16092 'Basic fibroblast growth factor receptor 1 precursor (FGFR-1) (bFGF-R) (MFR) (CD331 antigen)' 100.00 822 100.00 100.00 9.17e-04 SWISS-PROT Q04589 'Basic fibroblast growth factor receptor 1 precursor (FGFR-1) (bFGF-R) (MFR) (CD331 antigen)' 100.00 822 100.00 100.00 7.02e-04 REF NP_056934 'fibroblast growth factor receptor 1 isoform 2 precursor [Homo sapiens]' 100.00 820 100.00 100.00 8.73e-04 SWISS-PROT P11362 'Basic fibroblast growth factor receptor 1 precursor (FGFR-1) (bFGF-R) (Fms-like tyrosine kinase 2) (c-fgr) (CD331 antigen)' 100.00 822 100.00 100.00 9.25e-04 REF NP_001103677 'fibroblast growth factor receptor 1 [Bos taurus]' 100.00 820 100.00 100.00 1.04e-03 REF NP_034336 'fibroblast growth factor receptor 1 isoform 1 [Mus musculus]' 100.00 822 100.00 100.00 9.17e-04 REF NP_001073377 'fibroblast growth factor receptor 1 isoform 2 [Mus musculus]' 100.00 820 100.00 100.00 8.73e-04 REF NP_001073378 'fibroblast growth factor receptor 1 isoform 3 [Mus musculus]' 100.00 733 100.00 100.00 9.56e-04 PRF 1908208A 'fibroblast growth factor receptor 1' 100.00 822 100.00 100.00 7.02e-04 PRF 2103285A 'fibroblast growth factor receptor 1' 100.00 822 100.00 100.00 9.41e-04 GenBank AAA35840 'fibroblast growth factor receptor' 100.00 820 100.00 100.00 8.73e-04 GenBank AAA35958 'heparin-binding growth factor receptor' 100.00 822 100.00 100.00 8.73e-04 GenBank AAA35836 'fibroblast growth factor receptor (FGFr) transmembrane form' 100.00 733 100.00 100.00 9.97e-04 GenBank AAA35837 'fibroblast growth factor receptor (FGFr) transmembrane form' 100.00 731 100.00 100.00 9.25e-04 EMBL CAA40402 'Fibroblast Growth Factor Receptor, 3 Ig-Domain Form [Homo sapiens]' 100.00 820 100.00 100.00 8.73e-04 GenBank AAA35835 'FGF receptor-1 precursor [Homo sapiens]' 100.00 820 100.00 100.00 9.41e-04 EMBL CAA37015 'unnamed protein product [Homo sapiens]' 100.00 822 100.00 100.00 9.25e-04 EMBL CAA40401 'Fibroblast Growth Factor Receptor, 2-Ig Domain+2 AA insert [Homo sapiens]' 100.00 733 100.00 100.00 9.97e-04 EMBL CAA36101 'unnamed protein product [Homo sapiens]' 100.00 822 100.00 100.00 9.81e-04 EMBL CAA36175 'precursor polypeptide (AA -21 to 799) [Mus musculus]' 100.00 820 100.00 100.00 9.02e-04 DBJ BAE72950 'hypothetical protein [Macaca fascicularis]' 100.00 511 100.00 100.00 1.01e-03 DBJ BAF84443 'unnamed protein product [Homo sapiens]' 100.00 820 100.00 100.00 8.73e-04 DBJ BAC25899 'unnamed protein product [Mus musculus]' 100.00 733 100.00 100.00 9.56e-04 DBJ BAD96438 'fibroblast growth factor receptor 1 isoform 2 precursor variant [Homo sapiens]' 100.00 820 100.00 100.00 7.51e-04 PDB 1XR0 'Structural Basis Of Snt Ptb Domain Interactions With Distinct Neurotrophic Receptors' 100.00 22 100.00 100.00 2.44e-03 DBJ BAA02059 'FGF receptor-1 [Rattus norvegicus]' 100.00 822 100.00 100.00 7.02e-04 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SNT human 9606 Eukaryota Metazoa Homo sapiens $FGFR 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 $SNT 'recombinant technology' . . . . . $FGFR 'chemical synthesis' . . . . . 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 $SNT . mM 0.4 0.5 '[U-99% 13C; U-99% 15N]' $FGFR . mM 0.4 0.5 '[U-99% 13C; U-99% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 n/a temperature 303 1 K 'ionic strength' 0.1 0.02 M 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 H 1 'methyl protons' ppm 0.0 internal direct . . . . DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'SNT PTB 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 . 1 THR HA H 4.28 0.00 1 2 . 1 THR HB H 4.12 0.00 1 3 . 1 THR HG2 H 1.13 0.00 1 4 . 1 THR CA C 61.93 0.00 1 5 . 1 THR CB C 69.55 0.00 1 6 . 1 THR CG2 C 21.84 0.00 1 7 . 2 VAL H H 7.48 0.00 1 8 . 2 VAL HA H 4.38 0.00 1 9 . 2 VAL HB H 2.02 0.00 1 10 . 2 VAL HG1 H 0.88 0.00 1 11 . 2 VAL CA C 59.65 0.00 1 12 . 2 VAL CB C 32.75 0.00 1 13 . 2 VAL CG1 C 20.82 0.00 1 14 . 2 VAL N N 123.72 0.00 1 15 . 3 PRO HA H 4.38 0.00 1 16 . 3 PRO HB2 H 1.86 0.00 1 17 . 3 PRO HB3 H 2.26 0.00 1 18 . 3 PRO HG3 H 1.96 0.00 1 19 . 3 PRO HD2 H 3.62 0.00 1 20 . 3 PRO HD3 H 3.84 0.00 1 21 . 3 PRO CA C 62.95 0.00 1 22 . 3 PRO CB C 31.99 0.00 1 23 . 3 PRO CG C 27.42 0.00 1 24 . 3 PRO CD C 51.02 0.00 1 25 . 4 ASP H H 7.66 0.00 1 26 . 4 ASP HA H 4.45 0.00 1 27 . 4 ASP HB2 H 2.55 0.00 1 28 . 4 ASP HB3 H 2.65 0.00 1 29 . 4 ASP CA C 54.57 0.00 1 30 . 4 ASP CB C 41.12 0.00 1 31 . 4 ASP N N 119.86 0.00 1 32 . 6 HIS HA H 4.45 0.00 1 33 . 6 HIS HB2 H 3.01 0.00 1 34 . 6 HIS HB3 H 3.16 0.00 1 35 . 6 HIS HD2 H 7.03 0.00 1 36 . 6 HIS CA C 56.60 0.00 1 37 . 6 HIS CB C 30.47 0.00 1 38 . 6 HIS CD2 C 119.14 0.00 1 39 . 8 ASN H H 7.89 0.00 1 40 . 8 ASN HA H 4.68 0.00 1 41 . 8 ASN HB2 H 2.74 0.00 1 42 . 8 ASN HB3 H 3.27 0.00 1 43 . 8 ASN CA C 53.05 0.00 1 44 . 8 ASN CB C 38.59 0.00 1 45 . 8 ASN N N 113.99 0.00 1 46 . 9 LYS H H 6.31 0.00 1 47 . 9 LYS HA H 5.17 0.00 1 48 . 9 LYS HB3 H 1.38 0.00 1 49 . 9 LYS HG2 H 1.01 0.00 1 50 . 9 LYS HG3 H 1.30 0.00 1 51 . 9 LYS HD2 H 1.37 0.00 1 52 . 9 LYS HD3 H 1.45 0.00 1 53 . 9 LYS HE3 H 2.69 0.00 1 54 . 9 LYS CA C 55.34 0.00 1 55 . 9 LYS CB C 35.29 0.00 1 56 . 9 LYS CG C 25.90 0.00 1 57 . 9 LYS CD C 29.45 0.00 1 58 . 9 LYS CE C 41.63 0.00 1 59 . 9 LYS N N 117.48 0.00 1 60 . 10 PHE H H 8.69 0.00 1 61 . 10 PHE HA H 4.48 0.00 1 62 . 10 PHE HB3 H 2.62 0.00 1 63 . 10 PHE HD1 H 6.92 0.00 3 64 . 10 PHE HE1 H 7.03 0.00 3 65 . 10 PHE HZ H 7.07 0.00 1 66 . 10 PHE CA C 56.35 0.00 1 67 . 10 PHE CB C 42.65 0.00 1 68 . 10 PHE CD1 C 132.08 0.00 3 69 . 10 PHE CE1 C 130.81 0.00 3 70 . 10 PHE CZ C 129.54 0.00 1 71 . 10 PHE N N 120.60 0.00 1 72 . 11 LYS H H 8.55 0.00 1 73 . 11 LYS HA H 4.71 0.00 1 74 . 11 LYS HB2 H 1.85 0.00 1 75 . 11 LYS HB3 H 1.99 0.00 1 76 . 11 LYS HG2 H 1.42 0.00 1 77 . 11 LYS HG3 H 1.58 0.00 1 78 . 11 LYS HD3 H 1.76 0.00 1 79 . 11 LYS HE3 H 2.97 0.00 1 80 . 11 LYS CA C 57.62 0.00 1 81 . 11 LYS CB C 31.99 0.00 1 82 . 11 LYS CG C 25.39 0.00 1 83 . 11 LYS CD C 29.45 0.00 1 84 . 11 LYS CE C 41.63 0.00 1 85 . 11 LYS N N 125.37 0.00 1 86 . 12 VAL H H 8.02 0.00 1 87 . 12 VAL HA H 5.58 0.00 1 88 . 12 VAL HB H 2.28 0.00 1 89 . 12 VAL HG1 H 0.79 0.00 1 90 . 12 VAL HG2 H 0.62 0.00 1 91 . 12 VAL CA C 58.89 0.00 1 92 . 12 VAL CB C 37.06 0.00 1 93 . 12 VAL CG1 C 21.33 0.00 1 94 . 12 VAL CG2 C 19.05 0.00 1 95 . 12 VAL N N 117.66 0.00 1 96 . 13 ILE H H 8.05 0.00 1 97 . 13 ILE HA H 4.84 0.00 1 98 . 13 ILE HB H 1.72 0.00 1 99 . 13 ILE HG12 H 1.13 0.00 1 100 . 13 ILE HG13 H 1.63 0.00 1 101 . 13 ILE HG2 H 0.90 0.00 1 102 . 13 ILE HD1 H 0.89 0.00 1 103 . 13 ILE CA C 60.66 0.00 1 104 . 13 ILE CB C 42.39 0.00 1 105 . 13 ILE CG1 C 27.42 0.00 1 106 . 13 ILE CG2 C 17.52 0.00 1 107 . 13 ILE CD1 C 14.22 0.00 1 108 . 13 ILE N N 119.68 0.00 1 109 . 14 ASN H H 8.46 0.00 1 110 . 14 ASN HA H 4.53 0.00 1 111 . 14 ASN HB2 H 2.88 0.00 1 112 . 14 ASN HB3 H 3.12 0.00 1 113 . 14 ASN CA C 54.32 0.00 1 114 . 14 ASN CB C 40.36 0.00 1 115 . 14 ASN N N 127.40 0.00 1 116 . 15 VAL H H 6.87 0.00 1 117 . 15 VAL HA H 5.54 0.00 1 118 . 15 VAL HB H 1.88 0.00 1 119 . 15 VAL HG1 H 0.81 0.00 1 120 . 15 VAL HG2 H 0.64 0.00 1 121 . 15 VAL CA C 58.63 0.00 1 122 . 15 VAL CB C 36.05 0.00 1 123 . 15 VAL CG1 C 21.84 0.00 1 124 . 15 VAL CG2 C 18.03 0.00 1 125 . 15 VAL N N 116.37 0.00 1 126 . 16 ASP H H 6.82 0.00 1 127 . 16 ASP HA H 4.45 0.00 1 128 . 16 ASP HB2 H 2.16 0.00 1 129 . 16 ASP HB3 H 2.84 0.00 1 130 . 16 ASP CA C 51.27 0.00 1 131 . 16 ASP CB C 41.63 0.00 1 132 . 16 ASP N N 116.56 0.00 1 133 . 17 ASP H H 7.36 0.00 1 134 . 17 ASP HA H 4.13 0.00 1 135 . 17 ASP HB2 H 2.45 0.00 1 136 . 17 ASP HB3 H 2.60 0.00 1 137 . 17 ASP CA C 56.86 0.00 1 138 . 17 ASP CB C 41.63 0.00 1 139 . 17 ASP N N 114.17 0.00 1 140 . 18 ASP H H 7.21 0.00 1 141 . 18 ASP HA H 4.76 0.00 1 142 . 18 ASP HB2 H 2.40 0.00 1 143 . 18 ASP HB3 H 2.82 0.00 1 144 . 18 ASP CA C 53.81 0.00 1 145 . 18 ASP CB C 42.39 0.00 1 146 . 18 ASP N N 116.01 0.00 1 147 . 19 GLY H H 7.33 0.00 1 148 . 19 GLY HA2 H 3.38 0.00 1 149 . 19 GLY HA3 H 4.14 0.00 1 150 . 19 GLY CA C 45.19 0.00 1 151 . 19 GLY N N 107.93 0.00 1 152 . 20 ASN H H 8.06 0.00 1 153 . 20 ASN HA H 4.46 0.00 1 154 . 20 ASN HB2 H 2.47 0.00 1 155 . 20 ASN HB3 H 2.75 0.00 1 156 . 20 ASN HD21 H 7.27 0.00 1 157 . 20 ASN HD22 H 8.94 0.00 1 158 . 20 ASN CA C 53.56 0.00 1 159 . 20 ASN CB C 38.08 0.00 1 160 . 20 ASN N N 119.68 0.00 1 161 . 20 ASN ND2 N 120.05 0.00 1 162 . 21 GLU H H 7.92 0.00 1 163 . 21 GLU HA H 4.01 0.00 1 164 . 21 GLU HB2 H 1.86 0.00 1 165 . 21 GLU HB3 H 1.88 0.00 1 166 . 21 GLU HG2 H 1.92 0.00 1 167 . 21 GLU HG3 H 2.57 0.00 1 168 . 21 GLU CA C 57.37 0.00 1 169 . 21 GLU CB C 29.70 0.00 1 170 . 21 GLU CG C 36.81 0.00 1 171 . 21 GLU N N 118.94 0.00 1 172 . 22 LEU H H 8.19 0.00 1 173 . 22 LEU HA H 4.52 0.00 1 174 . 22 LEU HB3 H 1.54 0.00 1 175 . 22 LEU HG H 1.47 0.00 1 176 . 22 LEU HD1 H 0.63 0.00 1 177 . 22 LEU HD2 H 0.56 0.00 1 178 . 22 LEU CA C 53.56 0.00 1 179 . 22 LEU CB C 41.63 0.00 1 180 . 22 LEU CG C 26.66 0.00 1 181 . 22 LEU CD1 C 22.09 0.00 1 182 . 22 LEU CD2 C 26.66 0.00 1 183 . 22 LEU N N 125.73 0.00 1 184 . 23 GLY H H 7.32 0.00 1 185 . 23 GLY HA2 H 4.10 0.00 1 186 . 23 GLY HA3 H 4.21 0.00 1 187 . 23 GLY N N 107.93 0.00 1 188 . 24 SER H H 8.10 0.00 1 189 . 24 SER HA H 5.43 0.00 1 190 . 24 SER HB2 H 4.05 0.00 1 191 . 24 SER HB3 H 4.08 0.00 1 192 . 24 SER CA C 57.37 0.00 1 193 . 24 SER CB C 65.74 0.00 1 194 . 24 SER N N 118.03 0.00 1 195 . 25 GLY H H 8.31 0.00 1 196 . 25 GLY HA2 H 4.10 0.00 1 197 . 25 GLY HA3 H 4.56 0.00 1 198 . 25 GLY N N 109.03 0.00 1 199 . 26 ILE H H 8.06 0.00 1 200 . 26 ILE HA H 4.99 0.00 1 201 . 26 ILE HB H 1.79 0.00 1 202 . 26 ILE HG12 H 1.23 0.00 1 203 . 26 ILE HG13 H 1.50 0.00 1 204 . 26 ILE HG2 H 0.78 0.00 1 205 . 26 ILE HD1 H 0.77 0.00 1 206 . 26 ILE CA C 58.38 0.00 1 207 . 26 ILE CB C 40.87 0.00 1 208 . 26 ILE CG1 C 27.17 0.00 1 209 . 26 ILE CG2 C 17.52 0.00 1 210 . 26 ILE CD1 C 11.94 0.00 1 211 . 26 ILE N N 121.88 0.00 1 212 . 27 MET H H 9.11 0.00 1 213 . 27 MET HA H 5.63 0.00 1 214 . 27 MET HB2 H 1.54 0.00 1 215 . 27 MET HB3 H 1.90 0.00 1 216 . 27 MET HG2 H 1.93 0.00 1 217 . 27 MET HG3 H 2.08 0.00 1 218 . 27 MET HE H 1.26 0.00 1 219 . 27 MET CA C 53.30 0.00 1 220 . 27 MET CB C 36.56 0.00 1 221 . 27 MET CG C 32.75 0.00 1 222 . 27 MET CE C 17.27 0.00 1 223 . 27 MET N N 127.94 0.00 1 224 . 28 GLU H H 9.55 0.00 1 225 . 28 GLU HA H 5.43 0.00 1 226 . 28 GLU HB2 H 1.83 0.00 1 227 . 28 GLU HB3 H 2.23 0.00 1 228 . 28 GLU HG2 H 1.96 0.00 1 229 . 28 GLU HG3 H 2.09 0.00 1 230 . 28 GLU CA C 53.81 0.00 1 231 . 28 GLU CB C 34.53 0.00 1 232 . 28 GLU CG C 36.56 0.00 1 233 . 28 GLU N N 106.10 0.00 1 234 . 29 LEU H H 7.69 0.00 1 235 . 29 LEU HA H 5.01 0.00 1 236 . 29 LEU HB2 H 1.60 0.00 1 237 . 29 LEU HB3 H 1.70 0.00 1 238 . 29 LEU HG H 1.70 0.00 1 239 . 29 LEU HD1 H 0.66 0.00 1 240 . 29 LEU CA C 54.57 0.00 1 241 . 29 LEU CB C 42.14 0.00 1 242 . 29 LEU CG C 29.20 0.00 1 243 . 29 LEU CD1 C 25.39 0.00 1 244 . 29 LEU N N 126.65 0.00 1 245 . 30 THR H H 7.99 0.00 1 246 . 30 THR HA H 4.96 0.00 1 247 . 30 THR HB H 4.75 0.00 1 248 . 30 THR HG2 H 1.20 0.00 1 249 . 30 THR CA C 59.65 0.00 1 250 . 30 THR CB C 69.80 0.00 1 251 . 30 THR CG2 C 21.84 0.00 1 252 . 30 THR N N 115.82 0.00 1 253 . 31 ASP H H 6.65 0.00 1 254 . 31 ASP HA H 4.57 0.00 1 255 . 31 ASP HB2 H 2.73 0.00 1 256 . 31 ASP HB3 H 2.81 0.00 1 257 . 31 ASP CA C 57.11 0.00 1 258 . 31 ASP CB C 40.36 0.00 1 259 . 31 ASP N N 118.58 0.00 1 260 . 32 THR H H 7.13 0.00 1 261 . 32 THR HA H 4.36 0.00 1 262 . 32 THR HB H 3.99 0.00 1 263 . 32 THR HG2 H 1.09 0.00 1 264 . 32 THR CA C 61.93 0.00 1 265 . 32 THR CB C 71.83 0.00 1 266 . 32 THR CG2 C 22.09 0.00 1 267 . 32 THR N N 127.02 0.00 1 268 . 33 GLU HA H 4.48 0.00 1 269 . 33 GLU HB2 H 1.43 0.00 1 270 . 33 GLU HB3 H 1.51 0.00 1 271 . 33 GLU HG2 H 1.69 0.00 1 272 . 33 GLU HG3 H 1.94 0.00 1 273 . 33 GLU CA C 57.62 0.00 1 274 . 33 GLU CB C 34.02 0.00 1 275 . 33 GLU CG C 35.80 0.00 1 276 . 34 LEU H H 7.63 0.00 1 277 . 34 LEU HA H 4.89 0.00 1 278 . 34 LEU HB2 H 1.59 0.00 1 279 . 34 LEU HB3 H 1.72 0.00 1 280 . 34 LEU HG H 1.50 0.00 1 281 . 34 LEU HD1 H 0.41 0.00 1 282 . 34 LEU HD2 H 0.29 0.00 1 283 . 34 LEU CA C 54.32 0.00 1 284 . 34 LEU CB C 44.42 0.00 1 285 . 34 LEU CG C 27.42 0.00 1 286 . 34 LEU CD1 C 24.88 0.00 1 287 . 34 LEU CD2 C 25.39 0.00 1 288 . 34 LEU N N 121.33 0.00 1 289 . 35 ILE H H 8.50 0.00 1 290 . 35 ILE HA H 4.68 0.00 1 291 . 35 ILE HB H 1.63 0.00 1 292 . 35 ILE HG12 H 0.57 0.00 1 293 . 35 ILE HG13 H 1.47 0.00 1 294 . 35 ILE HG2 H 0.22 0.00 1 295 . 35 ILE HD1 H 0.75 0.00 1 296 . 35 ILE CA C 60.66 0.00 1 297 . 35 ILE CB C 40.87 0.00 1 298 . 35 ILE CG1 C 27.17 0.00 1 299 . 35 ILE CG2 C 17.02 0.00 1 300 . 35 ILE CD1 C 14.22 0.00 1 301 . 35 ILE N N 123.53 0.00 1 302 . 36 LEU H H 8.70 0.00 1 303 . 36 LEU HA H 5.24 0.00 1 304 . 36 LEU HB2 H 1.27 0.00 1 305 . 36 LEU HB3 H 2.06 0.00 1 306 . 36 LEU HG H 1.34 0.00 1 307 . 36 LEU HD1 H 1.02 0.00 1 308 . 36 LEU HD2 H 0.71 0.00 1 309 . 36 LEU CA C 53.05 0.00 1 310 . 36 LEU CB C 46.20 0.00 1 311 . 36 LEU CG C 27.67 0.00 1 312 . 36 LEU CD1 C 27.17 0.00 1 313 . 36 LEU CD2 C 23.11 0.00 1 314 . 36 LEU N N 127.57 0.00 1 315 . 37 TYR H H 8.92 0.00 1 316 . 37 TYR HA H 5.08 0.00 1 317 . 37 TYR HB2 H 2.92 0.00 1 318 . 37 TYR HB3 H 3.03 0.00 1 319 . 37 TYR HD1 H 7.03 0.00 3 320 . 37 TYR HE1 H 6.80 0.00 3 321 . 37 TYR CA C 56.60 0.00 1 322 . 37 TYR CB C 39.60 0.00 1 323 . 37 TYR CD1 C 133.60 0.00 3 324 . 37 TYR CE1 C 117.87 0.00 3 325 . 37 TYR N N 126.47 0.00 1 326 . 38 THR H H 7.92 0.00 1 327 . 38 THR HA H 4.75 0.00 1 328 . 38 THR HB H 4.45 0.00 1 329 . 38 THR HG2 H 1.26 0.00 1 330 . 38 THR CA C 60.92 0.00 1 331 . 38 THR CB C 70.82 0.00 1 332 . 38 THR CG2 C 21.58 0.00 1 333 . 38 THR N N 115.27 0.00 1 334 . 40 LYS HA H 4.10 0.00 1 335 . 40 LYS HB2 H 1.85 0.00 1 336 . 40 LYS HB3 H 1.97 0.00 1 337 . 40 LYS HG2 H 1.39 0.00 1 338 . 40 LYS HG3 H 1.44 0.00 1 339 . 40 LYS HD3 H 1.68 0.00 1 340 . 40 LYS HE3 H 2.96 0.00 1 341 . 40 LYS CA C 57.11 0.00 1 342 . 40 LYS CB C 31.48 0.00 1 343 . 40 LYS CG C 25.39 0.00 1 344 . 40 LYS CD C 28.94 0.00 1 345 . 40 LYS CE C 41.63 0.00 1 346 . 41 ARG H H 7.44 0.00 1 347 . 41 ARG HA H 4.34 0.00 1 348 . 41 ARG HB2 H 1.88 0.00 1 349 . 41 ARG HB3 H 1.97 0.00 1 350 . 41 ARG HG3 H 1.57 0.00 1 351 . 41 ARG HD2 H 3.13 0.00 1 352 . 41 ARG HD3 H 3.18 0.00 1 353 . 41 ARG CA C 56.10 0.00 1 354 . 41 ARG CB C 30.21 0.00 1 355 . 41 ARG CG C 27.42 0.00 1 356 . 41 ARG CD C 43.41 0.00 1 357 . 41 ARG N N 115.64 0.00 1 358 . 42 ASP H H 7.32 0.00 1 359 . 42 ASP HA H 4.77 0.00 1 360 . 42 ASP HB2 H 2.56 0.00 1 361 . 42 ASP HB3 H 2.67 0.00 1 362 . 42 ASP CA C 54.32 0.00 1 363 . 42 ASP CB C 41.38 0.00 1 364 . 42 ASP N N 119.49 0.00 1 365 . 43 SER H H 7.80 0.00 1 366 . 43 SER HA H 5.15 0.00 1 367 . 43 SER HB2 H 3.35 0.00 1 368 . 43 SER HB3 H 3.61 0.00 1 369 . 43 SER CA C 57.11 0.00 1 370 . 43 SER CB C 65.49 0.00 1 371 . 43 SER N N 115.46 0.00 1 372 . 44 VAL H H 7.89 0.00 1 373 . 44 VAL HA H 3.97 0.00 1 374 . 44 VAL HB H 1.44 0.00 1 375 . 44 VAL HG1 H 0.56 0.00 1 376 . 44 VAL HG2 H -0.07 0.00 1 377 . 44 VAL CA C 60.92 0.00 1 378 . 44 VAL CB C 34.02 0.00 1 379 . 44 VAL CG1 C 21.08 0.00 1 380 . 44 VAL CG2 C 21.84 0.00 1 381 . 44 VAL N N 122.25 0.00 1 382 . 45 LYS H H 6.91 0.00 1 383 . 45 LYS HA H 5.28 0.00 1 384 . 45 LYS HB3 H 1.40 0.00 1 385 . 45 LYS HG3 H 1.07 0.00 1 386 . 45 LYS HD2 H 1.38 0.00 1 387 . 45 LYS HD3 H 1.46 0.00 1 388 . 45 LYS HE3 H 2.70 0.00 1 389 . 45 LYS CA C 54.07 0.00 1 390 . 45 LYS CB C 36.30 0.00 1 391 . 45 LYS CG C 24.63 0.00 1 392 . 45 LYS CD C 29.45 0.00 1 393 . 45 LYS CE C 41.63 0.00 1 394 . 45 LYS N N 121.15 0.00 1 395 . 46 TRP H H 8.87 0.00 1 396 . 46 TRP HA H 4.66 0.00 1 397 . 46 TRP HB2 H 2.59 0.00 1 398 . 46 TRP HB3 H 3.03 0.00 1 399 . 46 TRP HD1 H 7.59 0.00 1 400 . 46 TRP HE1 H 9.00 0.00 1 401 . 46 TRP HE3 H 6.68 0.00 1 402 . 46 TRP HZ2 H 6.00 0.00 1 403 . 46 TRP HZ3 H 7.45 0.00 1 404 . 46 TRP HH2 H 6.64 0.00 1 405 . 46 TRP CA C 58.13 0.00 1 406 . 46 TRP CB C 31.48 0.00 1 407 . 46 TRP CD1 C 126.49 0.00 1 408 . 46 TRP CE3 C 121.67 0.00 1 409 . 46 TRP CZ2 C 114.31 0.00 1 410 . 46 TRP CZ3 C 122.43 0.00 1 411 . 46 TRP CH2 C 122.94 0.00 1 412 . 46 TRP N N 123.72 0.00 1 413 . 46 TRP NE1 N 125.73 0.00 1 414 . 47 HIS H H 8.42 0.00 1 415 . 47 HIS HA H 4.48 0.00 1 416 . 47 HIS HB2 H 3.09 0.00 1 417 . 47 HIS HB3 H 3.25 0.00 1 418 . 47 HIS HD1 H 7.07 0.00 0 419 . 47 HIS HD2 H 7.09 0.00 1 420 . 47 HIS CA C 57.62 0.00 1 421 . 47 HIS CB C 30.97 0.00 1 422 . 47 HIS CD2 C 118.12 0.00 1 423 . 47 HIS N N 125.18 0.00 1 424 . 48 TYR H H 7.43 0.00 1 425 . 48 TYR HA H 4.30 0.00 1 426 . 48 TYR HB2 H 2.62 0.00 1 427 . 48 TYR HB3 H 3.02 0.00 1 428 . 48 TYR HD1 H 6.65 0.00 3 429 . 48 TYR HE1 H 6.41 0.00 3 430 . 48 TYR CA C 60.41 0.00 1 431 . 48 TYR CB C 36.81 0.00 1 432 . 48 TYR CD1 C 130.30 0.00 3 433 . 48 TYR CE1 C 119.14 0.00 3 434 . 48 TYR N N 126.65 0.00 1 435 . 49 LEU H H 9.00 0.00 1 436 . 49 LEU HA H 4.30 0.00 1 437 . 49 LEU HB2 H 1.66 0.00 1 438 . 49 LEU HB3 H 1.81 0.00 1 439 . 49 LEU HG H 1.57 0.00 1 440 . 49 LEU HD1 H 0.93 0.00 1 441 . 49 LEU HD2 H 0.91 0.00 1 442 . 49 LEU CA C 56.35 0.00 1 443 . 49 LEU CB C 41.38 0.00 1 444 . 49 LEU CG C 27.32 0.00 1 445 . 49 LEU CD1 C 23.11 0.00 1 446 . 49 LEU CD2 C 25.14 0.00 1 447 . 49 LEU N N 115.82 0.00 1 448 . 50 CYS H H 7.89 0.00 1 449 . 50 CYS HA H 5.06 0.00 1 450 . 50 CYS HB2 H 2.96 0.00 1 451 . 50 CYS HB3 H 3.15 0.00 1 452 . 50 CYS CA C 57.62 0.00 1 453 . 50 CYS CB C 28.69 0.00 1 454 . 50 CYS N N 115.64 0.00 1 455 . 51 LEU H H 7.01 0.00 1 456 . 51 LEU HA H 4.61 0.00 1 457 . 51 LEU HB2 H 1.30 0.00 1 458 . 51 LEU HB3 H 2.20 0.00 1 459 . 51 LEU HG H 1.99 0.00 1 460 . 51 LEU HD1 H 0.75 0.00 1 461 . 51 LEU HD2 H 0.62 0.00 1 462 . 51 LEU CA C 55.84 0.00 1 463 . 51 LEU CB C 42.39 0.00 1 464 . 51 LEU CG C 27.42 0.00 1 465 . 51 LEU CD1 C 25.90 0.00 1 466 . 51 LEU CD2 C 23.61 0.00 1 467 . 51 LEU N N 123.72 0.00 1 468 . 52 ARG H H 8.65 0.00 1 469 . 52 ARG HA H 4.71 0.00 1 470 . 52 ARG HB2 H 1.49 0.00 1 471 . 52 ARG HB3 H 1.94 0.00 1 472 . 52 ARG HG3 H 1.70 0.00 1 473 . 52 ARG HD3 H 3.13 0.00 1 474 . 52 ARG CA C 56.35 0.00 1 475 . 52 ARG CB C 32.50 0.00 1 476 . 52 ARG CG C 26.91 0.00 1 477 . 52 ARG CD C 43.15 0.00 1 478 . 52 ARG N N 118.58 0.00 1 479 . 53 ARG H H 7.21 0.00 1 480 . 53 ARG HA H 5.33 0.00 1 481 . 53 ARG HB2 H 1.80 0.00 1 482 . 53 ARG HB3 H 1.97 0.00 1 483 . 53 ARG HG2 H 1.54 0.00 1 484 . 53 ARG HG3 H 1.62 0.00 1 485 . 53 ARG HD2 H 2.99 0.00 1 486 . 53 ARG HD3 H 3.12 0.00 1 487 . 53 ARG HE H 7.57 0.00 0 488 . 53 ARG CA C 54.83 0.00 1 489 . 53 ARG CB C 34.53 0.00 1 490 . 53 ARG CG C 26.91 0.00 1 491 . 53 ARG CD C 43.15 0.00 1 492 . 53 ARG N N 115.64 0.00 1 493 . 53 ARG NE N 108.12 0.00 1 494 . 54 TYR H H 7.82 0.00 1 495 . 54 TYR HA H 5.48 0.00 1 496 . 54 TYR HB2 H 3.20 0.00 1 497 . 54 TYR HB3 H 3.49 0.00 1 498 . 54 TYR HD1 H 6.78 0.00 3 499 . 54 TYR HE1 H 6.18 0.00 3 500 . 54 TYR CA C 57.62 0.00 1 501 . 54 TYR CB C 40.36 0.00 1 502 . 54 TYR CD1 C 133.09 0.00 3 503 . 54 TYR CE1 C 118.63 0.00 3 504 . 54 TYR N N 115.09 0.00 1 505 . 55 GLY H H 8.36 0.00 1 506 . 55 GLY HA2 H 4.61 0.00 1 507 . 55 GLY HA3 H 4.61 0.00 1 508 . 55 GLY CA C 47.72 0.00 1 509 . 55 GLY N N 128.12 0.00 1 510 . 56 TYR H H 7.80 0.00 1 511 . 56 TYR HA H 5.76 0.00 1 512 . 56 TYR HB2 H 2.94 0.00 1 513 . 56 TYR HB3 H 3.63 0.00 1 514 . 56 TYR HD1 H 6.45 0.00 3 515 . 56 TYR HE1 H 6.34 0.00 3 516 . 56 TYR CA C 55.84 0.00 1 517 . 56 TYR CB C 43.15 0.00 1 518 . 56 TYR CD1 C 133.09 0.00 3 519 . 56 TYR CE1 C 117.87 0.00 3 520 . 56 TYR N N 114.36 0.00 1 521 . 57 ASP H H 8.81 0.00 1 522 . 57 ASP HA H 4.28 0.00 1 523 . 57 ASP HB2 H 2.55 0.00 1 524 . 57 ASP HB3 H 2.80 0.00 1 525 . 57 ASP CA C 52.80 0.00 1 526 . 57 ASP CB C 44.93 0.00 1 527 . 57 ASP N N 120.59 0.00 1 528 . 58 SER H H 8.88 0.00 1 529 . 58 SER HA H 4.24 0.00 1 530 . 58 SER HB2 H 3.87 0.00 1 531 . 58 SER HB3 H 3.97 0.00 1 532 . 58 SER CA C 60.66 0.00 1 533 . 58 SER CB C 62.44 0.00 1 534 . 58 SER N N 118.21 0.00 1 535 . 59 ASN H H 8.26 0.00 1 536 . 59 ASN HA H 5.17 0.00 1 537 . 59 ASN HB2 H 2.83 0.00 1 538 . 59 ASN HB3 H 3.01 0.00 1 539 . 59 ASN HD21 H 6.80 0.00 1 540 . 59 ASN HD22 H 7.52 0.00 1 541 . 59 ASN CA C 53.30 0.00 1 542 . 59 ASN CB C 39.09 0.00 1 543 . 59 ASN N N 120.23 0.00 1 544 . 59 ASN ND2 N 110.69 0.00 1 545 . 60 LEU H H 7.57 0.00 1 546 . 60 LEU HA H 5.40 0.00 1 547 . 60 LEU HB2 H 1.38 0.00 1 548 . 60 LEU HB3 H 1.52 0.00 1 549 . 60 LEU HG H 1.47 0.00 1 550 . 60 LEU HD1 H 0.82 0.00 1 551 . 60 LEU HD2 H 0.79 0.00 1 552 . 60 LEU CA C 54.83 0.00 1 553 . 60 LEU CB C 47.22 0.00 1 554 . 60 LEU CG C 27.17 0.00 1 555 . 60 LEU CD1 C 24.63 0.00 1 556 . 60 LEU CD2 C 25.39 0.00 1 557 . 60 LEU N N 122.25 0.00 1 558 . 61 PHE H H 8.99 0.00 1 559 . 61 PHE HA H 5.57 0.00 1 560 . 61 PHE HB2 H 2.80 0.00 1 561 . 61 PHE HB3 H 3.13 0.00 1 562 . 61 PHE HD1 H 7.25 0.00 3 563 . 61 PHE HE1 H 7.11 0.00 3 564 . 61 PHE CA C 56.10 0.00 1 565 . 61 PHE CB C 44.17 0.00 1 566 . 61 PHE N N 124.45 0.00 1 567 . 62 SER H H 7.48 0.00 1 568 . 62 SER HA H 5.41 0.00 1 569 . 62 SER HB2 H 3.23 0.00 1 570 . 62 SER HB3 H 3.45 0.00 1 571 . 62 SER CA C 54.83 0.00 1 572 . 62 SER CB C 65.99 0.00 1 573 . 62 SER N N 120.41 0.00 1 574 . 63 PHE H H 7.43 0.00 1 575 . 63 PHE HA H 5.32 0.00 1 576 . 63 PHE HB2 H 2.91 0.00 1 577 . 63 PHE HB3 H 3.25 0.00 1 578 . 63 PHE HD1 H 6.63 0.00 3 579 . 63 PHE HE1 H 5.84 0.00 3 580 . 63 PHE HZ H 7.05 0.00 1 581 . 63 PHE CA C 56.10 0.00 1 582 . 63 PHE CB C 42.39 0.00 1 583 . 63 PHE CD1 C 131.57 0.00 3 584 . 63 PHE CE1 C 130.05 0.00 3 585 . 63 PHE CZ C 129.03 0.00 1 586 . 63 PHE N N 119.31 0.00 1 587 . 64 GLU H H 8.16 0.00 1 588 . 64 GLU HA H 5.69 0.00 1 589 . 64 GLU HB2 H 1.79 0.00 1 590 . 64 GLU HB3 H 1.98 0.00 1 591 . 64 GLU HG2 H 1.98 0.00 1 592 . 64 GLU HG3 H 2.30 0.00 1 593 . 64 GLU CA C 53.05 0.00 1 594 . 64 GLU CB C 33.51 0.00 1 595 . 64 GLU CG C 35.80 0.00 1 596 . 64 GLU N N 119.13 0.00 1 597 . 65 SER H H 9.26 0.00 1 598 . 65 SER HA H 5.29 0.00 1 599 . 65 SER HB2 H 4.01 0.00 1 600 . 65 SER HB3 H 4.92 0.00 1 601 . 65 SER CA C 57.11 0.00 1 602 . 65 SER CB C 68.78 0.00 1 603 . 65 SER N N 121.88 0.00 1 604 . 66 GLY H H 8.19 0.00 1 605 . 66 GLY HA2 H 4.08 0.00 1 606 . 66 GLY HA3 H 4.42 0.00 1 607 . 66 GLY N N 107.20 0.00 1 608 . 67 ARG H H 8.10 0.00 1 609 . 67 ARG HA H 4.08 0.00 1 610 . 67 ARG HB3 H 1.92 0.00 1 611 . 67 ARG HG2 H 1.72 0.00 1 612 . 67 ARG HG3 H 1.78 0.00 1 613 . 67 ARG HD3 H 3.23 0.00 1 614 . 67 ARG CA C 58.63 0.00 1 615 . 67 ARG CB C 31.48 0.00 1 616 . 67 ARG CG C 27.42 0.00 1 617 . 67 ARG CD C 43.41 0.00 1 618 . 67 ARG N N 113.62 0.00 1 619 . 68 ARG H H 8.06 0.00 1 620 . 68 ARG HA H 4.52 0.00 1 621 . 68 ARG HB2 H 1.78 0.00 1 622 . 68 ARG HB3 H 1.87 0.00 1 623 . 68 ARG HG2 H 1.56 0.00 1 624 . 68 ARG HG3 H 1.66 0.00 1 625 . 68 ARG HD3 H 3.18 0.00 1 626 . 68 ARG CA C 55.34 0.00 1 627 . 68 ARG CB C 27.67 0.00 1 628 . 68 ARG CG C 27.42 0.00 1 629 . 68 ARG CD C 43.41 0.00 1 630 . 68 ARG N N 120.78 0.00 1 631 . 69 CYS H H 7.75 0.00 1 632 . 69 CYS HA H 4.87 0.00 1 633 . 69 CYS HB2 H 3.12 0.00 1 634 . 69 CYS HB3 H 3.96 0.00 1 635 . 69 CYS CA C 56.35 0.00 1 636 . 69 CYS CB C 29.96 0.00 1 637 . 69 CYS N N 114.91 0.00 1 638 . 70 GLN HA H 4.05 0.00 1 639 . 70 GLN HB2 H 1.93 0.00 1 640 . 70 GLN HB3 H 2.15 0.00 1 641 . 70 GLN HG2 H 2.26 0.00 1 642 . 70 GLN HG3 H 2.33 0.00 1 643 . 70 GLN CA C 59.40 0.00 1 644 . 70 GLN CB C 28.94 0.00 1 645 . 70 GLN CG C 33.77 0.00 1 646 . 71 THR H H 7.79 0.00 1 647 . 71 THR HA H 4.15 0.00 1 648 . 71 THR HB H 4.47 0.00 1 649 . 71 THR HG2 H 1.08 0.00 1 650 . 71 THR CA C 63.71 0.00 1 651 . 71 THR CB C 71.32 0.00 1 652 . 71 THR CG2 C 21.08 0.00 1 653 . 71 THR N N 106.65 0.00 1 654 . 72 GLY H H 7.21 0.00 1 655 . 72 GLY HA2 H 4.01 0.00 1 656 . 72 GLY HA3 H 4.36 0.00 1 657 . 72 GLY CA C 43.92 0.00 1 658 . 72 GLY N N 113.08 0.00 1 659 . 73 GLN H H 8.06 0.00 1 660 . 73 GLN HA H 4.19 0.00 1 661 . 73 GLN HB3 H 1.91 0.00 1 662 . 73 GLN HG3 H 2.48 0.00 1 663 . 73 GLN HE21 H 6.80 0.00 1 664 . 73 GLN HE22 H 7.65 0.00 1 665 . 73 GLN CA C 55.59 0.00 1 666 . 73 GLN CB C 28.69 0.00 1 667 . 73 GLN CG C 32.75 0.00 1 668 . 73 GLN N N 120.41 0.00 1 669 . 73 GLN NE2 N 110.88 0.00 1 670 . 74 GLY H H 7.45 0.00 1 671 . 74 GLY HA2 H 3.37 0.00 1 672 . 74 GLY HA3 H 3.87 0.00 1 673 . 74 GLY CA C 45.19 0.00 1 674 . 74 GLY N N 111.97 0.00 1 675 . 75 ILE H H 7.18 0.00 1 676 . 75 ILE HA H 4.18 0.00 1 677 . 75 ILE HB H 1.18 0.00 1 678 . 75 ILE HG13 H 1.39 0.00 1 679 . 75 ILE HG2 H 0.55 0.00 1 680 . 75 ILE HD1 H 0.50 0.00 1 681 . 75 ILE CA C 60.41 0.00 1 682 . 75 ILE CB C 39.35 0.00 1 683 . 75 ILE CG1 C 27.42 0.00 1 684 . 75 ILE CG2 C 18.29 0.00 1 685 . 75 ILE CD1 C 13.72 0.00 1 686 . 75 ILE N N 120.23 0.00 1 687 . 76 PHE H H 7.89 0.00 1 688 . 76 PHE HA H 4.73 0.00 1 689 . 76 PHE HB2 H 1.43 0.00 1 690 . 76 PHE HB3 H 2.43 0.00 1 691 . 76 PHE HD1 H 6.62 0.00 3 692 . 76 PHE HE1 H 7.26 0.00 3 693 . 76 PHE HZ H 7.30 0.00 1 694 . 76 PHE CA C 55.34 0.00 1 695 . 76 PHE CB C 42.90 0.00 1 696 . 76 PHE CE1 C 131.31 0.00 3 697 . 76 PHE CZ C 130.81 0.00 1 698 . 76 PHE N N 122.25 0.00 1 699 . 77 ALA H H 8.91 0.00 1 700 . 77 ALA HA H 5.18 0.00 1 701 . 77 ALA HB H 1.15 0.00 1 702 . 77 ALA CA C 51.27 0.00 1 703 . 77 ALA CB C 23.36 0.00 1 704 . 77 ALA N N 125.73 0.00 1 705 . 78 PHE H H 8.65 0.00 1 706 . 78 PHE HA H 5.40 0.00 1 707 . 78 PHE HB2 H 2.86 0.00 1 708 . 78 PHE HB3 H 3.04 0.00 1 709 . 78 PHE HD1 H 7.11 0.00 3 710 . 78 PHE HE1 H 7.26 0.00 3 711 . 78 PHE CA C 55.84 0.00 1 712 . 78 PHE CB C 42.90 0.00 1 713 . 78 PHE CD1 C 131.57 0.00 3 714 . 78 PHE CE1 C 131.57 0.00 3 715 . 78 PHE N N 117.85 0.00 1 716 . 79 LYS H H 9.24 0.00 1 717 . 79 LYS HA H 5.19 0.00 1 718 . 79 LYS HB2 H 1.77 0.00 1 719 . 79 LYS HB3 H 1.94 0.00 1 720 . 79 LYS HG2 H 1.50 0.00 1 721 . 79 LYS HG3 H 1.64 0.00 1 722 . 79 LYS HD3 H 1.71 0.00 1 723 . 79 LYS HE2 H 2.87 0.00 1 724 . 79 LYS HE3 H 2.97 0.00 1 725 . 79 LYS CA C 56.10 0.00 1 726 . 79 LYS CB C 33.51 0.00 1 727 . 79 LYS CG C 25.39 0.00 1 728 . 79 LYS CD C 29.70 0.00 1 729 . 79 LYS CE C 41.88 0.00 1 730 . 79 LYS N N 124.45 0.00 1 731 . 80 CYS HA H 4.68 0.00 1 732 . 80 CYS HB2 H 2.30 0.00 1 733 . 80 CYS HB3 H 3.12 0.00 1 734 . 80 CYS CA C 58.89 0.00 1 735 . 80 CYS CB C 28.94 0.00 1 736 . 81 ALA HA H 4.58 0.00 1 737 . 81 ALA HB H 1.63 0.00 1 738 . 81 ALA CA C 54.83 0.00 1 739 . 81 ALA CB C 18.29 0.00 1 740 . 82 ARG H H 7.31 0.00 1 741 . 82 ARG HA H 4.98 0.00 1 742 . 82 ARG HB2 H 1.66 0.00 1 743 . 82 ARG HB3 H 2.75 0.00 1 744 . 82 ARG HG3 H 1.76 0.00 1 745 . 82 ARG HD2 H 3.25 0.00 1 746 . 82 ARG HD3 H 3.43 0.00 1 747 . 82 ARG CA C 54.57 0.00 1 748 . 82 ARG CB C 30.97 0.00 1 749 . 82 ARG CG C 26.91 0.00 1 750 . 82 ARG CD C 44.42 0.00 1 751 . 82 ARG N N 117.29 0.00 1 752 . 83 ALA H H 6.57 0.00 1 753 . 83 ALA HA H 3.59 0.00 1 754 . 83 ALA HB H 1.81 0.00 1 755 . 83 ALA CA C 56.86 0.00 1 756 . 83 ALA CB C 19.55 0.00 1 757 . 83 ALA N N 121.88 0.00 1 758 . 84 GLU H H 7.79 0.00 1 759 . 84 GLU HA H 2.63 0.00 1 760 . 84 GLU HB3 H 1.77 0.00 1 761 . 84 GLU HG2 H 1.79 0.00 1 762 . 84 GLU HG3 H 1.95 0.00 1 763 . 84 GLU CA C 59.40 0.00 1 764 . 84 GLU CB C 29.70 0.00 1 765 . 84 GLU CG C 36.05 0.00 1 766 . 84 GLU N N 116.01 0.00 1 767 . 85 GLU H H 6.94 0.00 1 768 . 85 GLU HA H 3.96 0.00 1 769 . 85 GLU HB3 H 2.25 0.00 1 770 . 85 GLU HG2 H 2.36 0.00 1 771 . 85 GLU HG3 H 2.45 0.00 1 772 . 85 GLU CA C 59.65 0.00 1 773 . 85 GLU CB C 30.21 0.00 1 774 . 85 GLU CG C 37.06 0.00 1 775 . 85 GLU N N 119.13 0.00 1 776 . 86 LEU H H 7.28 0.00 1 777 . 86 LEU HA H 3.00 0.00 1 778 . 86 LEU HB2 H 0.28 0.00 1 779 . 86 LEU HB3 H 0.91 0.00 1 780 . 86 LEU HG H 1.20 0.00 1 781 . 86 LEU HD1 H -0.26 0.00 1 782 . 86 LEU HD2 H -0.59 0.00 1 783 . 86 LEU CA C 59.40 0.00 1 784 . 86 LEU CB C 41.38 0.00 1 785 . 86 LEU CG C 27.42 0.00 1 786 . 86 LEU CD1 C 24.88 0.00 1 787 . 86 LEU CD2 C 22.85 0.00 1 788 . 86 LEU N N 123.90 0.00 1 789 . 87 PHE H H 7.45 0.00 1 790 . 87 PHE HA H 3.82 0.00 1 791 . 87 PHE HB2 H 2.98 0.00 1 792 . 87 PHE HB3 H 3.11 0.00 1 793 . 87 PHE HD1 H 7.37 0.00 3 794 . 87 PHE HE1 H 7.11 0.00 3 795 . 87 PHE HZ H 7.38 0.00 1 796 . 87 PHE CA C 62.19 0.00 1 797 . 87 PHE CB C 40.11 0.00 1 798 . 87 PHE CD1 C 132.33 0.00 3 799 . 87 PHE CE1 C 129.79 0.00 3 800 . 87 PHE CZ C 132.08 0.00 1 801 . 87 PHE N N 118.58 0.00 1 802 . 88 ASN H H 8.01 0.00 1 803 . 88 ASN HA H 4.21 0.00 1 804 . 88 ASN HB2 H 2.74 0.00 1 805 . 88 ASN HB3 H 2.84 0.00 1 806 . 88 ASN HD21 H 6.99 0.00 1 807 . 88 ASN HD22 H 7.55 0.00 1 808 . 88 ASN CA C 55.84 0.00 1 809 . 88 ASN CB C 37.83 0.00 1 810 . 88 ASN N N 116.92 0.00 1 811 . 88 ASN ND2 N 110.87 0.00 1 812 . 89 MET H H 7.72 0.00 1 813 . 89 MET HA H 4.10 0.00 1 814 . 89 MET HB2 H 1.97 0.00 1 815 . 89 MET HB3 H 2.20 0.00 1 816 . 89 MET HG2 H 2.48 0.00 1 817 . 89 MET HG3 H 2.66 0.00 1 818 . 89 MET HE H 2.09 0.00 1 819 . 89 MET CA C 57.27 0.00 1 820 . 89 MET CB C 32.50 0.00 1 821 . 89 MET CG C 32.75 0.00 1 822 . 89 MET CE C 17.27 0.00 1 823 . 89 MET N N 122.06 0.00 1 824 . 90 LEU H H 7.63 0.00 1 825 . 90 LEU HA H 3.63 0.00 1 826 . 90 LEU HB2 H 0.97 0.00 1 827 . 90 LEU HB3 H 1.25 0.00 1 828 . 90 LEU HG H 0.77 0.00 1 829 . 90 LEU HD1 H 0.22 0.00 1 830 . 90 LEU HD2 H -0.05 0.00 1 831 . 90 LEU CA C 57.62 0.00 1 832 . 90 LEU CB C 40.87 0.00 1 833 . 90 LEU CG C 26.66 0.00 1 834 . 90 LEU CD1 C 24.38 0.00 1 835 . 90 LEU CD2 C 25.14 0.00 1 836 . 90 LEU N N 121.51 0.00 1 837 . 91 GLN H H 7.53 0.00 1 838 . 91 GLN HA H 3.90 0.00 1 839 . 91 GLN HB2 H 1.76 0.00 1 840 . 91 GLN HB3 H 2.07 0.00 1 841 . 91 GLN HG2 H 1.70 0.00 1 842 . 91 GLN HG3 H 2.02 0.00 1 843 . 91 GLN HE21 H 6.42 0.00 1 844 . 91 GLN HE22 H 7.03 0.00 1 845 . 91 GLN CA C 59.14 0.00 1 846 . 91 GLN CB C 29.45 0.00 1 847 . 91 GLN CG C 34.27 0.00 1 848 . 91 GLN N N 116.56 0.00 1 849 . 91 GLN NE2 N 109.22 0.00 1 850 . 92 GLU H H 6.82 0.00 1 851 . 92 GLU HA H 3.92 0.00 1 852 . 92 GLU HB3 H 2.10 0.00 1 853 . 92 GLU HG2 H 2.13 0.00 1 854 . 92 GLU HG3 H 2.33 0.00 1 855 . 92 GLU CA C 59.65 0.00 1 856 . 92 GLU CB C 29.45 0.00 1 857 . 92 GLU CG C 36.05 0.00 1 858 . 92 GLU N N 119.49 0.00 1 859 . 93 ILE H H 7.53 0.00 1 860 . 93 ILE HA H 3.57 0.00 1 861 . 93 ILE HB H 1.57 0.00 1 862 . 93 ILE HG12 H 0.93 0.00 1 863 . 93 ILE HG13 H 1.69 0.00 1 864 . 93 ILE HG2 H 0.59 0.00 1 865 . 93 ILE HD1 H 0.70 0.00 1 866 . 93 ILE CA C 65.49 0.00 1 867 . 93 ILE CB C 38.59 0.00 1 868 . 93 ILE CG1 C 29.45 0.00 1 869 . 93 ILE CG2 C 17.52 0.00 1 870 . 93 ILE CD1 C 14.73 0.00 1 871 . 93 ILE N N 121.33 0.00 1 872 . 94 MET H H 7.88 0.00 1 873 . 94 MET HA H 3.88 0.00 1 874 . 94 MET HB2 H 1.90 0.00 1 875 . 94 MET HB3 H 2.06 0.00 1 876 . 94 MET HG2 H 2.22 0.00 1 877 . 94 MET HG3 H 2.65 0.00 1 878 . 94 MET HE H 1.86 0.00 1 879 . 94 MET CA C 59.14 0.00 1 880 . 94 MET CB C 30.72 0.00 1 881 . 94 MET CG C 33.26 0.00 1 882 . 94 MET CE C 18.54 0.00 1 883 . 94 MET N N 119.13 0.00 1 884 . 95 GLN H H 7.28 0.00 1 885 . 95 GLN HA H 4.13 0.00 1 886 . 95 GLN HB2 H 2.12 0.00 1 887 . 95 GLN HB3 H 2.16 0.00 1 888 . 95 GLN HG2 H 2.39 0.00 1 889 . 95 GLN HG3 H 2.48 0.00 1 890 . 95 GLN HE21 H 6.81 0.00 1 891 . 95 GLN HE22 H 7.36 0.00 1 892 . 95 GLN CA C 58.89 0.00 1 893 . 95 GLN CB C 28.18 0.00 1 894 . 95 GLN CG C 34.02 0.00 1 895 . 95 GLN N N 118.58 0.00 1 896 . 95 GLN NE2 N 110.87 0.00 1 897 . 96 ASN H H 7.96 0.00 1 898 . 96 ASN HA H 4.52 0.00 1 899 . 96 ASN HB2 H 2.84 0.00 1 900 . 96 ASN HB3 H 2.96 0.00 1 901 . 96 ASN HD21 H 6.99 0.00 1 902 . 96 ASN HD22 H 7.56 0.00 1 903 . 96 ASN CA C 55.34 0.00 1 904 . 96 ASN CB C 32.50 0.00 1 905 . 96 ASN N N 119.86 0.00 1 906 . 96 ASN ND2 N 111.42 0.00 1 907 . 97 ASN H H 7.09 0.00 1 908 . 97 ASN HA H 4.79 0.00 1 909 . 97 ASN HB2 H 2.64 0.00 1 910 . 97 ASN HB3 H 2.99 0.00 1 911 . 97 ASN CA C 53.56 0.00 1 912 . 97 ASN CB C 40.11 0.00 1 913 . 97 ASN N N 117.29 0.00 1 914 . 98 SER H H 7.38 0.00 1 915 . 98 SER HA H 4.74 0.00 1 916 . 98 SER HB3 H 4.08 0.00 1 917 . 98 SER N N 111.97 0.00 1 918 . 99 ILE H H 7.45 0.00 1 919 . 99 ILE HA H 4.08 0.00 1 920 . 99 ILE HB H 1.72 0.00 1 921 . 99 ILE HG12 H 1.04 0.00 1 922 . 99 ILE HG13 H 1.54 0.00 1 923 . 99 ILE HG2 H 0.86 0.00 1 924 . 99 ILE HD1 H 0.86 0.00 1 925 . 99 ILE CA C 60.16 0.00 1 926 . 99 ILE CB C 38.08 0.00 1 927 . 99 ILE CG1 C 27.42 0.00 1 928 . 99 ILE CG2 C 18.29 0.00 1 929 . 99 ILE CD1 C 13.21 0.00 1 930 . 99 ILE N N 121.15 0.00 1 931 . 100 ASN H H 7.79 0.00 1 932 . 100 ASN HA H 4.63 0.00 1 933 . 100 ASN HB2 H 2.69 0.00 1 934 . 100 ASN HB3 H 2.74 0.00 1 935 . 100 ASN HD21 H 7.52 0.00 1 936 . 100 ASN HD22 H 6.84 0.00 1 937 . 100 ASN CA C 53.81 0.00 1 938 . 100 ASN CB C 39.09 0.00 1 939 . 100 ASN N N 124.82 0.00 1 940 . 100 ASN ND2 N 112.15 0.00 1 941 . 101 VAL H H 7.45 0.00 1 942 . 101 VAL HA H 4.95 0.00 1 943 . 101 VAL HB H 1.91 0.00 1 944 . 101 VAL HG1 H 0.91 0.00 1 945 . 101 VAL HG2 H 0.85 0.00 1 946 . 101 VAL CA C 59.65 0.00 1 947 . 101 VAL CB C 34.53 0.00 1 948 . 101 VAL CG1 C 21.84 0.00 1 949 . 101 VAL CG2 C 18.79 0.00 1 950 . 101 VAL N N 117.66 0.00 1 951 . 102 VAL H H 8.20 0.00 1 952 . 102 VAL HA H 4.35 0.00 1 953 . 102 VAL HB H 1.96 0.00 1 954 . 102 VAL HG1 H 0.89 0.00 1 955 . 102 VAL HG2 H 0.85 0.00 1 956 . 102 VAL CA C 60.66 0.00 1 957 . 102 VAL CB C 34.78 0.00 1 958 . 102 VAL CG1 C 21.08 0.00 1 959 . 102 VAL CG2 C 20.57 0.00 1 960 . 102 VAL N N 121.88 0.00 1 961 . 103 GLU H H 8.14 0.00 1 962 . 103 GLU HA H 4.49 0.00 1 963 . 103 GLU HB2 H 1.95 0.00 1 964 . 103 GLU HB3 H 2.04 0.00 1 965 . 103 GLU HG2 H 2.28 0.00 1 966 . 103 GLU HG3 H 2.38 0.00 1 967 . 103 GLU CA C 56.60 0.00 1 968 . 103 GLU CB C 30.21 0.00 1 969 . 103 GLU CG C 36.05 0.00 1 970 . 103 GLU N N 126.65 0.00 1 971 . 104 GLU H H 7.92 0.00 1 972 . 104 GLU HA H 4.67 0.00 1 973 . 104 GLU HB2 H 1.82 0.00 1 974 . 104 GLU HB3 H 1.99 0.00 1 975 . 104 GLU HG3 H 2.19 0.00 1 976 . 104 GLU CA C 53.81 0.00 1 977 . 104 GLU CB C 30.21 0.00 1 978 . 104 GLU CG C 36.05 0.00 1 979 . 104 GLU N N 126.28 0.00 1 980 . 105 PRO HA H 4.46 0.00 1 981 . 105 PRO HB2 H 1.84 0.00 1 982 . 105 PRO HB3 H 2.26 0.00 1 983 . 105 PRO HG3 H 2.00 0.00 1 984 . 105 PRO HD2 H 3.69 0.00 1 985 . 105 PRO HD3 H 3.81 0.00 1 986 . 105 PRO CA C 62.95 0.00 1 987 . 105 PRO CB C 31.99 0.00 1 988 . 105 PRO CG C 27.42 0.00 1 989 . 105 PRO CD C 50.77 0.00 1 990 . 106 VAL H H 7.65 0.00 1 991 . 106 VAL HA H 4.06 0.00 1 992 . 106 VAL HB H 2.00 0.00 1 993 . 106 VAL HG1 H 0.92 0.00 1 994 . 106 VAL CA C 62.70 0.00 1 995 . 106 VAL CB C 32.50 0.00 1 996 . 106 VAL CG1 C 20.82 0.00 1 997 . 106 VAL N N 121.15 0.00 1 998 . 107 VAL H H 7.55 0.00 1 999 . 107 VAL HA H 4.08 0.00 1 1000 . 107 VAL HB H 2.00 0.00 1 1001 . 107 VAL HG1 H 0.86 0.00 1 1002 . 107 VAL CA C 61.93 0.00 1 1003 . 107 VAL CB C 33.00 0.00 1 1004 . 107 VAL CG1 C 21.33 0.00 1 1005 . 107 VAL N N 124.45 0.00 1 1006 . 108 GLU H H 7.84 0.00 1 1007 . 108 GLU HA H 4.25 0.00 1 1008 . 108 GLU HB2 H 1.89 0.00 1 1009 . 108 GLU HB3 H 1.98 0.00 1 1010 . 108 GLU HG3 H 2.20 0.00 1 1011 . 108 GLU CA C 56.35 0.00 1 1012 . 108 GLU CB C 29.96 0.00 1 1013 . 108 GLU CG C 36.05 0.00 1 1014 . 108 GLU N N 125.00 0.00 1 1015 . 109 ARG H H 7.75 0.00 1 1016 . 109 ARG HA H 4.30 0.00 1 1017 . 109 ARG HB2 H 1.70 0.00 1 1018 . 109 ARG HB3 H 1.79 0.00 1 1019 . 109 ARG HG3 H 1.59 0.00 1 1020 . 109 ARG HD3 H 3.13 0.00 1 1021 . 109 ARG CA C 56.10 0.00 1 1022 . 109 ARG CB C 30.97 0.00 1 1023 . 109 ARG CG C 27.42 0.00 1 1024 . 109 ARG CD C 43.41 0.00 1 1025 . 109 ARG N N 122.25 0.00 1 1026 . 114 THR HA H 4.28 0.00 1 1027 . 114 THR HB H 4.18 0.00 1 1028 . 114 THR HG2 H 1.17 0.00 1 1029 . 114 THR CA C 62.19 0.00 1 1030 . 114 THR CB C 69.55 0.00 1 1031 . 114 THR CG2 C 21.84 0.00 1 1032 . 115 GLU H H 7.82 0.00 1 1033 . 115 GLU HA H 4.27 0.00 1 1034 . 115 GLU HB2 H 1.93 0.00 1 1035 . 115 GLU HB3 H 2.03 0.00 1 1036 . 115 GLU HG3 H 2.22 0.00 1 1037 . 115 GLU CA C 56.35 0.00 1 1038 . 115 GLU CB C 29.70 0.00 1 1039 . 115 GLU CG C 36.05 0.00 1 1040 . 115 GLU N N 122.80 0.00 1 1041 . 116 LEU H H 7.53 0.00 1 1042 . 116 LEU HA H 4.30 0.00 1 1043 . 116 LEU HB2 H 1.57 0.00 1 1044 . 116 LEU HB3 H 1.60 0.00 1 1045 . 116 LEU HG H 1.59 0.00 1 1046 . 116 LEU HD1 H 0.89 0.00 1 1047 . 116 LEU HD2 H 0.83 0.00 1 1048 . 116 LEU CA C 55.34 0.00 1 1049 . 116 LEU CB C 42.65 0.00 1 1050 . 116 LEU CG C 27.42 0.00 1 1051 . 116 LEU CD1 C 24.88 0.00 1 1052 . 116 LEU CD2 C 23.36 0.00 1 1053 . 116 LEU N N 122.25 0.00 1 1054 . 118 VAL H H 7.21 0.00 1 1055 . 118 VAL HA H 4.23 0.00 1 1056 . 118 VAL N N 119.49 0.00 1 stop_ save_ save_shift_set_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name FGFR _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 HIS HA H 4.20 0.00 1 2 . 1 HIS HB3 H 3.19 0.00 1 3 . 1 HIS HD2 H 7.14 0.00 1 4 . 2 SER HA H 4.49 0.00 1 5 . 2 SER HB3 H 3.86 0.00 1 6 . 3 GLN HA H 4.39 0.00 1 7 . 3 GLN HB2 H 2.00 0.00 1 8 . 3 GLN HB3 H 2.11 0.00 1 9 . 3 GLN HG3 H 2.37 0.00 1 10 . 3 GLN HE21 H 6.88 0.00 1 11 . 3 GLN HE22 H 7.59 0.00 1 12 . 4 MET H H 7.83 0.00 1 13 . 4 MET HA H 4.45 0.00 1 14 . 4 MET HB2 H 2.00 0.00 1 15 . 4 MET HB3 H 2.07 0.00 1 16 . 4 MET HG3 H 2.56 0.00 1 17 . 5 ALA H H 7.95 0.00 1 18 . 5 ALA HA H 4.29 0.00 1 19 . 5 ALA HB H 1.35 0.00 1 20 . 6 VAL H H 6.95 0.00 1 21 . 6 VAL HA H 4.25 0.00 1 22 . 6 VAL HB H 2.05 0.00 1 23 . 6 VAL HG1 H 1.02 0.00 1 24 . 7 HIS H H 8.14 0.00 1 25 . 7 HIS HA H 4.58 0.00 1 26 . 7 HIS HB2 H 2.80 0.00 1 27 . 7 HIS HB3 H 2.97 0.00 1 28 . 7 HIS HD2 H 6.65 0.00 1 29 . 7 HIS HE1 H 7.04 0.00 1 30 . 8 LYS H H 7.43 0.00 1 31 . 8 LYS HA H 4.10 0.00 1 32 . 8 LYS HB3 H 1.69 0.00 1 33 . 8 LYS HD3 H 1.60 0.00 1 34 . 8 LYS HE3 H 3.17 0.00 1 35 . 9 LEU H H 8.04 0.00 1 36 . 9 LEU HA H 4.30 0.00 1 37 . 9 LEU HB3 H 1.66 0.00 1 38 . 9 LEU HG H 1.18 0.00 1 39 . 9 LEU HD1 H 0.68 0.00 1 40 . 10 ALA H H 9.36 0.00 1 41 . 10 ALA HA H 4.13 0.00 1 42 . 10 ALA HB H 1.36 0.00 1 43 . 11 LYS H H 6.96 0.00 1 44 . 11 LYS HA H 4.33 0.00 1 45 . 11 LYS HB2 H 1.66 0.00 1 46 . 11 LYS HB3 H 1.77 0.00 1 47 . 11 LYS HG2 H 1.24 0.00 1 48 . 11 LYS HG3 H 1.32 0.00 1 49 . 11 LYS HD3 H 1.58 0.00 1 50 . 11 LYS HE3 H 2.91 0.00 1 51 . 12 SER H H 7.48 0.00 1 52 . 12 SER HA H 4.00 0.00 1 53 . 12 SER HB3 H 3.64 0.00 1 54 . 13 ILE H H 7.27 0.00 1 55 . 13 ILE HA H 4.50 0.00 1 56 . 13 ILE HB H 1.56 0.00 1 57 . 13 ILE HG12 H 0.86 0.00 1 58 . 13 ILE HG13 H 1.31 0.00 1 59 . 13 ILE HG2 H 0.78 0.00 1 60 . 13 ILE HD1 H 0.66 0.00 1 61 . 14 PRO HA H 4.22 0.00 1 62 . 14 PRO HB2 H 1.99 0.00 1 63 . 14 PRO HB3 H 2.07 0.00 1 64 . 14 PRO HG3 H 1.79 0.00 1 65 . 14 PRO HD2 H 3.52 0.00 1 66 . 14 PRO HD3 H 3.68 0.00 1 67 . 15 LEU H H 7.11 0.00 1 68 . 15 LEU HA H 4.35 0.00 1 69 . 15 LEU HB2 H 1.17 0.00 1 70 . 15 LEU HB3 H 1.66 0.00 1 71 . 15 LEU HG H 1.20 0.00 1 72 . 15 LEU HD1 H 0.59 0.00 1 73 . 15 LEU HD2 H 0.50 0.00 1 74 . 16 ARG H H 7.45 0.00 1 75 . 16 ARG HA H 4.00 0.00 1 76 . 16 ARG HB3 H 1.71 0.00 1 77 . 16 ARG HG2 H 1.41 0.00 1 78 . 16 ARG HG3 H 1.51 0.00 1 79 . 16 ARG HD3 H 3.11 0.00 1 80 . 17 ARG H H 6.39 0.00 1 81 . 17 ARG HA H 4.48 0.00 1 82 . 17 ARG HB2 H 1.28 0.00 1 83 . 17 ARG HB3 H 1.43 0.00 1 84 . 17 ARG HG3 H 1.07 0.00 1 85 . 17 ARG HD2 H 3.11 0.00 1 86 . 17 ARG HD3 H 3.20 0.00 1 87 . 18 GLN H H 7.92 0.00 1 88 . 18 GLN HA H 5.14 0.00 1 89 . 18 GLN HB2 H 1.77 0.00 1 90 . 18 GLN HB3 H 1.89 0.00 1 91 . 18 GLN HG2 H 1.99 0.00 1 92 . 18 GLN HG3 H 2.11 0.00 1 93 . 18 GLN HE21 H 6.72 0.00 1 94 . 18 GLN HE22 H 7.34 0.00 1 95 . 19 VAL H H 8.36 0.00 1 96 . 19 VAL HA H 4.87 0.00 1 97 . 19 VAL HB H 1.43 0.00 1 98 . 19 VAL HG1 H 0.73 0.00 1 99 . 19 VAL HG2 H 0.24 0.00 1 100 . 20 THR H H 8.20 0.00 1 101 . 20 THR HA H 4.70 0.00 1 102 . 20 THR HB H 3.97 0.00 1 103 . 20 THR HG2 H 1.16 0.00 1 104 . 21 VAL H H 7.48 0.00 1 105 . 21 VAL HA H 4.16 0.00 1 106 . 21 VAL HB H 2.12 0.00 1 107 . 21 VAL HG1 H 0.99 0.00 1 108 . 21 VAL HG2 H 0.84 0.00 1 109 . 22 SER H H 7.80 0.00 1 110 . 22 SER HA H 4.51 0.00 1 111 . 22 SER HB3 H 3.76 0.00 1 stop_ save_