data_6570 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Assignments of the F-actin binding domain of human Bcr-Abl/c-Abl ; _BMRB_accession_number 6570 _BMRB_flat_file_name bmr6570.str _Entry_type original _Submission_date 2005-03-24 _Accession_date 2005-03-28 _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 Wiesner Silke . . 2 Hantschel Oliver . . 3 Mackereth Cameron D. . 4 Superti-Furga Giulio . . 5 Sattler Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 619 "13C chemical shifts" 499 "15N chemical shifts" 137 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-10-24 original author . stop_ _Original_release_date 2005-10-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Assignment Reveals an alpha-Helical Fold for the F-Actin Binding Domain of Human Bcr-Abl/c-Abl ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16211486 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wiesner Silke . . 2 Hantschel Oliver . . 3 Mackereth Cameron D. . 4 Superti-Furga Giulio . . 5 Sattler Michael . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 32 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 335 _Page_last 335 _Year 2005 _Details . loop_ _Keyword Bcr-Abl c-Abl 'tyrosine kinase' 'F-actin binding domain' stop_ save_ ################################## # Molecular system description # ################################## save_system_FABD _Saveframe_category molecular_system _Mol_system_name 'F-actin binding domain of human Bcr-Abl/c-Abl' _Abbreviation_common FABD _Enzyme_commission_number 2.7.1.112 loop_ _Mol_system_component_name _Mol_label 'c-Abl, FABD' $FABD stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'non-recpetor tyrosin kinase' 'F-actin binding' 'cell adhesion' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_FABD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'F-actin binding domain of cellular Abelson tyrosine kinase' _Abbreviation_common c-Abl _Molecular_mass 10251 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 130 _Mol_residue_sequence ; GAMASTRVSLRKTRQPPERI ASGAITKGVVLDSTEALCLA ISRNSEQMASHSAVLEAGKN LYSFCVSYVDSIQQMRNKFA FREAINKLENNLRELQICPA TAGSGPAATQDFSKLLSSVK EISDIVQRLE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 10 GLY 2 11 ALA 3 12 MET 4 13 ALA 5 14 SER 6 15 THR 7 16 ARG 8 17 VAL 9 18 SER 10 19 LEU 11 20 ARG 12 21 LYS 13 22 THR 14 23 ARG 15 24 GLN 16 25 PRO 17 26 PRO 18 27 GLU 19 28 ARG 20 29 ILE 21 30 ALA 22 31 SER 23 32 GLY 24 33 ALA 25 34 ILE 26 35 THR 27 36 LYS 28 37 GLY 29 38 VAL 30 39 VAL 31 40 LEU 32 41 ASP 33 42 SER 34 43 THR 35 44 GLU 36 45 ALA 37 46 LEU 38 47 CYS 39 48 LEU 40 49 ALA 41 50 ILE 42 51 SER 43 52 ARG 44 53 ASN 45 54 SER 46 55 GLU 47 56 GLN 48 57 MET 49 58 ALA 50 59 SER 51 60 HIS 52 61 SER 53 62 ALA 54 63 VAL 55 64 LEU 56 65 GLU 57 66 ALA 58 67 GLY 59 68 LYS 60 69 ASN 61 70 LEU 62 71 TYR 63 72 SER 64 73 PHE 65 74 CYS 66 75 VAL 67 76 SER 68 77 TYR 69 78 VAL 70 79 ASP 71 80 SER 72 81 ILE 73 82 GLN 74 83 GLN 75 84 MET 76 85 ARG 77 86 ASN 78 87 LYS 79 88 PHE 80 89 ALA 81 90 PHE 82 91 ARG 83 92 GLU 84 93 ALA 85 94 ILE 86 95 ASN 87 96 LYS 88 97 LEU 89 98 GLU 90 99 ASN 91 100 ASN 92 101 LEU 93 102 ARG 94 103 GLU 95 104 LEU 96 105 GLN 97 106 ILE 98 107 CYS 99 108 PRO 100 109 ALA 101 110 THR 102 111 ALA 103 112 GLY 104 113 SER 105 114 GLY 106 115 PRO 107 116 ALA 108 117 ALA 109 118 THR 110 119 GLN 111 120 ASP 112 121 PHE 113 122 SER 114 123 LYS 115 124 LEU 116 125 LEU 117 126 SER 118 127 SER 119 128 VAL 120 129 LYS 121 130 GLU 122 131 ILE 123 132 SER 124 133 ASP 125 134 ILE 126 135 VAL 127 136 GLN 128 137 ARG 129 138 LEU 130 139 GLU 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 1ZZP "Solution Structure Of The F-Actin Binding Domain Of Bcr- AblC-Abl" 100.00 130 100.00 100.00 1.12e-88 DBJ BAD92693 "v-abl Abelson murine leukemia viral oncogene homolog 1 isoform b variant [Homo sapiens]" 96.92 1167 97.62 99.21 3.71e-76 DBJ BAD92879 "Proto-oncogene tyrosine-protein kinase ABL1 variant [Homo sapiens]" 96.92 949 97.62 99.21 1.27e-76 DBJ BAG10808 "proto-oncogene tyrosine-protein kinase ABL1 [synthetic construct]" 96.92 1149 97.62 99.21 2.73e-76 DBJ BAG58052 "unnamed protein product [Homo sapiens]" 95.38 581 97.58 99.19 3.56e-79 EMBL CAA34438 "unnamed protein product [Homo sapiens]" 96.92 1130 97.62 99.21 3.92e-76 GB AAB60393 "proto-oncogene tyrosine-protein kinase [Homo sapiens]" 96.92 1149 97.62 99.21 2.73e-76 GB AAB60394 "proto-oncogene tyrosine-protein kinase [Homo sapiens]" 96.92 1130 97.62 99.21 3.92e-76 GB AAI07070 "ABL1 protein, partial [Homo sapiens]" 95.38 396 99.19 100.00 9.11e-83 GB AAI07071 "ABL1 protein, partial [Homo sapiens]" 95.38 396 99.19 100.00 6.31e-83 GB AAI17452 "C-abl oncogene 1, receptor tyrosine kinase [Homo sapiens]" 96.92 1149 97.62 99.21 2.73e-76 REF NP_005148 "tyrosine-protein kinase ABL1 isoform a [Homo sapiens]" 96.92 1130 97.62 99.21 3.92e-76 REF NP_009297 "tyrosine-protein kinase ABL1 isoform b [Homo sapiens]" 96.92 1149 97.62 99.21 2.73e-76 REF XP_001118598 "PREDICTED: tyrosine-protein kinase ABL1-like [Macaca mulatta]" 96.92 853 97.62 99.21 4.34e-77 REF XP_001166213 "PREDICTED: tyrosine-protein kinase ABL1 [Pan troglodytes]" 96.92 1149 97.62 99.21 2.96e-76 REF XP_003276793 "PREDICTED: LOW QUALITY PROTEIN: tyrosine-protein kinase ABL1 [Nomascus leucogenys]" 96.92 1058 97.62 99.21 3.70e-76 SP P00519 "RecName: Full=Tyrosine-protein kinase ABL1; AltName: Full=Abelson murine leukemia viral oncogene homolog 1; AltName: Full=Abels" 96.92 1130 97.62 99.21 3.92e-76 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Fraction _Gene_mnemonic $FABD Human 9606 Eukaryota Metazoa Homo sapiens nucleus/cytoplasm ABL1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $FABD 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) plasmid 'pETM30 (modified pET24d)' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-labeled_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FABD 1.0 mM '[U-100% 15N]' stop_ save_ save_15N-13C-labeled_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FABD 1.0 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Task assignment stop_ _Details . save_ save_NMRPipe-NMRDraw _Saveframe_category software _Name NMRPipe-NMRDraw _Version . loop_ _Task 'data processing' stop_ _Details . 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_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_HN-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name HN-HSQC _Sample_label . save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_CBCANH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label . save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNHA-J_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA-J _Sample_label . save_ save_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_CBCACO(N)H_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACO(N)H _Sample_label . save_ save_HN-HSQC-NOESY-(H)C-HMQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name HN-HSQC-NOESY-(H)C-HMQC _Sample_label . save_ save_HC-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name HC-HSQC _Sample_label . save_ save_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _Sample_label . save_ save_(H)C(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(CO)NH _Sample_label . save_ save_HC(C)H-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name HC(C)H-TOCSY _Sample_label . save_ save_13C-HMQC-NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HMQC-NOESY _Sample_label . save_ save_15N-HSQC-NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC-NOESY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HN-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA-J _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACO(N)H _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HN-HSQC-NOESY-(H)C-HMQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HC-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name HC(C)H-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HMQC-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_ExpCondition _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 0.1 pH temperature 295 0.5 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 _Reference_correction_type H2O H 1 protons ppm 4.79 internal direct cylindrical internal parallel 1.0 'temperature, salt, pH' H2O C 13 protons ppm 4.79 external indirect . . . 0.251449530 . H2O N 15 protons ppm 4.79 external 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_ChemShifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $15N-labeled_sample $15N-13C-labeled_sample stop_ _Sample_conditions_label $ExpCondition _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'c-Abl, FABD' _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 . 5 SER H H 8.425 0.030 1 2 . 5 SER N N 115.528 0.100 1 3 . 5 SER CA C 55.511 0.300 1 4 . 5 SER HA H 4.218 0.030 1 5 . 5 SER C C 172.119 0.300 1 6 . 6 THR H H 8.115 0.030 1 7 . 6 THR N N 116.426 0.100 1 8 . 6 THR HA H 4.709 0.030 1 9 . 6 THR C C 171.393 0.300 1 10 . 6 THR CG2 C 18.953 0.300 1 11 . 6 THR HG2 H 1.047 0.030 1 12 . 7 ARG H H 8.265 0.030 1 13 . 7 ARG N N 123.919 0.100 1 14 . 7 ARG C C 173.401 0.300 1 15 . 8 VAL H H 8.104 0.030 1 16 . 8 VAL N N 121.990 0.100 1 17 . 8 VAL CA C 59.686 0.300 1 18 . 8 VAL HA H 4.001 0.034 1 19 . 8 VAL C C 173.401 0.300 1 20 . 8 VAL CB C 29.885 0.300 1 21 . 8 VAL HB H 1.950 0.039 1 22 . 8 VAL CG2 C 17.888 0.300 1 23 . 8 VAL HG2 H 0.846 0.036 2 24 . 9 SER H H 8.313 0.030 1 25 . 9 SER N N 119.772 0.100 1 26 . 9 SER C C 171.665 0.300 1 27 . 10 LEU H H 8.245 0.030 1 28 . 10 LEU N N 125.077 0.100 1 29 . 10 LEU CA C 52.685 0.300 1 30 . 10 LEU HA H 4.272 0.030 1 31 . 10 LEU C C 174.540 0.300 1 32 . 10 LEU CB C 40.270 0.300 1 33 . 10 LEU HB2 H 1.609 0.030 1 34 . 10 LEU HD1 H 0.805 0.030 2 35 . 11 ARG H H 8.160 0.030 1 36 . 11 ARG N N 121.894 0.100 1 37 . 11 ARG CA C 53.615 0.300 1 38 . 11 ARG HA H 4.218 0.030 1 39 . 11 ARG C C 173.498 0.300 1 40 . 11 ARG HD2 H 3.021 0.030 1 41 . 12 LYS H H 8.305 0.030 1 42 . 12 LYS N N 123.244 0.100 1 43 . 12 LYS C C 173.934 0.300 1 44 . 13 THR H H 8.050 0.030 1 45 . 13 THR N N 115.720 0.100 1 46 . 13 THR CA C 59.146 0.300 1 47 . 13 THR HA H 4.235 0.035 1 48 . 13 THR C C 171.484 0.300 1 49 . 13 THR HB H 4.119 0.030 1 50 . 13 THR CG2 C 18.953 0.300 1 51 . 13 THR HG2 H 1.102 0.038 1 52 . 14 ARG H H 8.324 0.030 1 53 . 14 ARG N N 123.630 0.100 1 54 . 14 ARG CA C 53.214 0.300 1 55 . 14 ARG HA H 4.229 0.034 1 56 . 14 ARG C C 173.098 0.300 1 57 . 14 ARG CB C 28.135 0.300 1 58 . 14 ARG HB2 H 1.697 0.033 1 59 . 14 ARG CG C 23.820 0.300 1 60 . 14 ARG HG2 H 1.528 0.034 1 61 . 14 ARG CD C 40.809 0.300 1 62 . 14 ARG HD2 H 3.094 0.033 1 63 . 15 GLN H H 8.367 0.030 1 64 . 15 GLN N N 123.556 0.100 1 65 . 15 GLN CA C 50.787 0.300 1 66 . 15 GLN HA H 4.516 0.038 1 67 . 15 GLN CB C 25.977 0.300 1 68 . 15 GLN HB2 H 1.979 0.035 1 69 . 15 GLN CG C 30.562 0.300 1 70 . 15 GLN HG2 H 2.280 0.034 1 71 . 15 GLN NE2 N 112.730 0.100 1 72 . 15 GLN HE21 H 7.469 0.030 1 73 . 15 GLN HE22 H 6.788 0.030 1 74 . 16 PRO CA C 58.877 0.300 1 75 . 16 PRO HA H 4.589 0.036 1 76 . 16 PRO CB C 28.135 0.300 1 77 . 16 PRO HB2 H 2.268 0.032 2 78 . 16 PRO HB3 H 1.828 0.036 2 79 . 16 PRO CG C 24.629 0.300 1 80 . 16 PRO HG2 H 1.920 0.032 2 81 . 16 PRO CD C 47.820 0.300 1 82 . 16 PRO HD2 H 3.710 0.038 2 83 . 16 PRO HD3 H 3.549 0.037 2 84 . 17 PRO CA C 60.225 0.300 1 85 . 17 PRO HA H 4.299 0.033 1 86 . 17 PRO C C 174.172 0.300 1 87 . 17 PRO CB C 29.213 0.300 1 88 . 17 PRO HB2 H 2.193 0.033 2 89 . 17 PRO HB3 H 1.829 0.039 2 90 . 17 PRO CG C 24.629 0.300 1 91 . 17 PRO HG2 H 1.906 0.030 1 92 . 17 PRO CD C 47.551 0.300 1 93 . 17 PRO HD2 H 3.700 0.032 2 94 . 17 PRO HD3 H 3.541 0.035 2 95 . 18 GLU H H 8.470 0.030 1 96 . 18 GLU N N 120.796 0.100 1 97 . 18 GLU CA C 54.091 0.300 1 98 . 18 GLU HA H 4.102 0.036 1 99 . 18 GLU C C 173.722 0.300 1 100 . 18 GLU CB C 27.470 0.300 1 101 . 18 GLU HB2 H 1.853 0.035 1 102 . 18 GLU CG C 33.528 0.300 1 103 . 18 GLU HG2 H 2.140 0.030 1 104 . 19 ARG H H 8.231 0.030 1 105 . 19 ARG N N 121.990 0.100 1 106 . 19 ARG CA C 53.304 0.300 1 107 . 19 ARG HA H 4.244 0.030 1 108 . 19 ARG C C 173.355 0.300 1 109 . 19 ARG HB2 H 1.657 0.030 1 110 . 19 ARG HG2 H 1.503 0.030 1 111 . 19 ARG HD2 H 3.066 0.030 1 112 . 20 ILE H H 8.060 0.030 1 113 . 20 ILE N N 122.665 0.100 1 114 . 20 ILE CA C 58.341 0.300 1 115 . 20 ILE HA H 4.045 0.030 1 116 . 20 ILE C C 173.220 0.300 1 117 . 20 ILE CB C 35.986 0.300 1 118 . 20 ILE HB H 1.755 0.030 1 119 . 20 ILE CG2 C 14.382 0.300 1 120 . 20 ILE HG2 H 0.823 0.032 1 121 . 20 ILE CG1 C 24.359 0.300 1 122 . 20 ILE HG12 H 1.398 0.038 2 123 . 20 ILE HG13 H 1.087 0.030 2 124 . 20 ILE CD1 C 10.067 0.300 1 125 . 20 ILE HD1 H 0.800 0.030 1 126 . 21 ALA H H 8.351 0.030 1 127 . 21 ALA N N 128.549 0.100 1 128 . 21 ALA CA C 49.984 0.300 1 129 . 21 ALA HA H 4.262 0.030 1 130 . 21 ALA C C 174.945 0.300 1 131 . 21 ALA CB C 16.449 0.300 1 132 . 21 ALA HB H 1.306 0.030 1 133 . 22 SER H H 8.208 0.030 1 134 . 22 SER N N 115.528 0.100 1 135 . 22 SER CA C 55.910 0.300 1 136 . 22 SER HA H 4.295 0.032 1 137 . 22 SER C C 172.392 0.300 1 138 . 22 SER CB C 60.890 0.300 1 139 . 22 SER HB2 H 3.821 0.031 2 140 . 22 SER HB3 H 3.764 0.031 2 141 . 23 GLY H H 8.306 0.030 1 142 . 23 GLY N N 111.187 0.100 1 143 . 23 GLY CA C 42.471 0.300 1 144 . 23 GLY HA2 H 3.843 0.030 1 145 . 23 GLY C C 170.815 0.300 1 146 . 24 ALA H H 7.923 0.030 1 147 . 24 ALA N N 123.171 0.100 1 148 . 24 ALA CA C 49.731 0.300 1 149 . 24 ALA HA H 4.230 0.036 1 150 . 24 ALA C C 174.795 0.300 1 151 . 24 ALA CB C 16.592 0.300 1 152 . 24 ALA HB H 1.248 0.030 1 153 . 25 ILE H H 8.322 0.030 1 154 . 25 ILE N N 121.315 0.100 1 155 . 25 ILE CA C 57.598 0.300 1 156 . 25 ILE HA H 3.928 0.034 1 157 . 25 ILE C C 172.192 0.300 1 158 . 25 ILE CB C 33.696 0.300 1 159 . 25 ILE HB H 1.933 0.034 1 160 . 25 ILE CG2 C 15.461 0.300 1 161 . 25 ILE HG2 H 0.819 0.033 1 162 . 25 ILE CG1 C 24.629 0.300 1 163 . 25 ILE HG12 H 1.488 0.039 1 164 . 25 ILE CD1 C 8.989 0.300 1 165 . 25 ILE HD1 H 0.799 0.039 1 166 . 26 THR H H 6.535 0.030 1 167 . 26 THR N N 114.949 0.100 1 168 . 26 THR CA C 56.667 0.300 1 169 . 26 THR HA H 4.591 0.032 1 170 . 26 THR C C 171.756 0.300 1 171 . 26 THR CB C 69.334 0.300 1 172 . 26 THR HB H 4.517 0.030 1 173 . 26 THR CG2 C 19.025 0.300 1 174 . 26 THR HG2 H 1.110 0.030 1 175 . 27 LYS H H 8.721 0.030 1 176 . 27 LYS N N 113.177 0.100 1 177 . 27 LYS CA C 56.989 0.300 1 178 . 27 LYS HA H 3.128 0.033 1 179 . 27 LYS C C 174.903 0.300 1 180 . 27 LYS CB C 29.213 0.300 1 181 . 27 LYS HB2 H 1.760 0.038 2 182 . 27 LYS HB3 H 1.547 0.030 2 183 . 27 LYS CG C 21.663 0.300 1 184 . 27 LYS HG2 H 1.160 0.031 1 185 . 27 LYS CD C 27.056 0.300 1 186 . 27 LYS HD2 H 1.581 0.033 1 187 . 27 LYS CE C 39.191 0.300 1 188 . 27 LYS HE2 H 2.923 0.035 2 189 . 27 LYS HE3 H 2.861 0.038 2 190 . 28 GLY H H 8.129 0.030 1 191 . 28 GLY N N 105.014 0.100 1 192 . 28 GLY CA C 44.045 0.300 1 193 . 28 GLY HA2 H 3.527 0.030 2 194 . 28 GLY HA3 H 3.644 0.030 2 195 . 28 GLY C C 172.873 0.300 1 196 . 29 VAL H H 7.147 0.030 1 197 . 29 VAL N N 121.990 0.100 1 198 . 29 VAL CA C 62.873 0.300 1 199 . 29 VAL HA H 3.519 0.030 1 200 . 29 VAL C C 176.504 0.300 1 201 . 29 VAL CB C 28.885 0.300 1 202 . 29 VAL HB H 1.829 0.031 1 203 . 29 VAL CG1 C 19.506 0.300 1 204 . 29 VAL HG1 H 0.871 0.036 2 205 . 29 VAL CG2 C 17.888 0.300 1 206 . 29 VAL HG2 H 0.130 0.035 2 207 . 30 VAL H H 7.189 0.030 1 208 . 30 VAL N N 120.640 0.100 1 209 . 30 VAL CA C 64.539 0.300 1 210 . 30 VAL HA H 3.176 0.038 1 211 . 30 VAL C C 175.886 0.300 1 212 . 30 VAL CB C 28.674 0.300 1 213 . 30 VAL HB H 1.809 0.038 1 214 . 30 VAL CG1 C 19.655 0.334 1 215 . 30 VAL HG1 H 0.704 0.034 2 216 . 30 VAL CG2 C 19.775 0.300 1 217 . 30 VAL HG2 H 0.448 0.037 2 218 . 31 LEU H H 8.414 0.030 1 219 . 31 LEU N N 120.254 0.100 1 220 . 31 LEU CA C 54.950 0.300 1 221 . 31 LEU HA H 4.128 0.036 1 222 . 31 LEU C C 178.093 0.300 1 223 . 31 LEU CB C 37.843 0.300 1 224 . 31 LEU HB2 H 1.686 0.033 2 225 . 31 LEU HB3 H 1.429 0.030 2 226 . 31 LEU CG C 24.090 0.300 1 227 . 31 LEU CD1 C 22.741 0.300 1 228 . 31 LEU HD1 H 0.697 0.034 2 229 . 31 LEU CD2 C 20.045 0.300 1 230 . 31 LEU HD2 H 0.749 0.032 2 231 . 31 LEU HG H 1.545 0.033 1 232 . 32 ASP H H 8.629 0.030 1 233 . 32 ASP N N 122.448 0.100 1 234 . 32 ASP CA C 54.880 0.300 1 235 . 32 ASP HA H 4.311 0.031 1 236 . 32 ASP C C 176.508 0.300 1 237 . 32 ASP CB C 37.202 0.300 1 238 . 32 ASP HB2 H 2.689 0.032 2 239 . 32 ASP HB3 H 2.485 0.033 2 240 . 33 SER H H 7.777 0.030 1 241 . 33 SER N N 116.571 0.100 1 242 . 33 SER CA C 59.101 0.300 1 243 . 33 SER HA H 4.352 0.031 1 244 . 33 SER C C 176.358 0.300 1 245 . 33 SER CB C 60.185 0.300 1 246 . 33 SER HB2 H 4.098 0.036 1 247 . 34 THR H H 8.657 0.030 1 248 . 34 THR N N 116.781 0.100 1 249 . 34 THR CA C 63.752 0.300 1 250 . 34 THR HA H 3.948 0.030 1 251 . 34 THR C C 173.850 0.300 1 252 . 34 THR CB C 65.200 0.300 1 253 . 34 THR HB H 4.127 0.031 1 254 . 34 THR CG2 C 20.814 0.300 1 255 . 34 THR HG2 H 1.240 0.031 1 256 . 35 GLU H H 7.718 0.030 1 257 . 35 GLU N N 124.305 0.100 1 258 . 35 GLU CA C 56.811 0.300 1 259 . 35 GLU HA H 3.984 0.037 1 260 . 35 GLU C C 176.358 0.300 1 261 . 35 GLU CB C 26.786 0.300 1 262 . 35 GLU HB2 H 2.027 0.034 2 263 . 35 GLU HB3 H 2.095 0.030 2 264 . 35 GLU CG C 33.258 0.300 1 265 . 35 GLU HG2 H 2.289 0.033 2 266 . 35 GLU HG3 H 2.172 0.032 2 267 . 36 ALA H H 8.079 0.030 1 268 . 36 ALA N N 121.797 0.100 1 269 . 36 ALA CA C 52.302 0.300 1 270 . 36 ALA HA H 3.972 0.031 1 271 . 36 ALA C C 178.371 0.300 1 272 . 36 ALA CB C 15.110 0.300 1 273 . 36 ALA HB H 1.483 0.030 1 274 . 37 LEU H H 7.701 0.030 1 275 . 37 LEU N N 120.543 0.100 1 276 . 37 LEU CA C 55.133 0.300 1 277 . 37 LEU HA H 4.069 0.031 1 278 . 37 LEU C C 174.789 0.300 1 279 . 37 LEU CB C 38.112 0.300 1 280 . 37 LEU HB2 H 2.037 0.039 2 281 . 37 LEU HB3 H 1.383 0.034 2 282 . 37 LEU CG C 24.899 0.300 1 283 . 37 LEU CD1 C 21.663 0.300 1 284 . 37 LEU HD1 H 0.859 0.031 2 285 . 37 LEU CD2 C 25.438 0.300 1 286 . 37 LEU HD2 H 0.797 0.033 2 287 . 37 LEU HG H 1.469 0.032 1 288 . 38 CYS H H 8.111 0.030 1 289 . 38 CYS N N 118.614 0.100 1 290 . 38 CYS CA C 61.843 0.300 1 291 . 38 CYS HA H 3.790 0.034 1 292 . 38 CYS C C 174.840 0.300 1 293 . 38 CYS CB C 23.250 0.300 1 294 . 38 CYS HB2 H 2.989 0.033 2 295 . 38 CYS HB3 H 2.828 0.031 2 296 . 39 LEU H H 8.324 0.030 1 297 . 39 LEU N N 121.315 0.100 1 298 . 39 LEU CA C 55.101 0.300 1 299 . 39 LEU HA H 4.077 0.033 1 300 . 39 LEU C C 175.723 0.300 1 301 . 39 LEU CB C 39.191 0.300 1 302 . 39 LEU HB2 H 1.585 0.032 1 303 . 39 LEU CG C 24.090 0.300 1 304 . 39 LEU CD1 C 21.393 0.300 1 305 . 39 LEU HD1 H 0.786 0.031 2 306 . 39 LEU HG H 1.467 0.033 1 307 . 40 ALA H H 7.775 0.030 1 308 . 40 ALA N N 121.966 0.100 1 309 . 40 ALA CA C 52.601 0.300 1 310 . 40 ALA HA H 3.888 0.033 1 311 . 40 ALA C C 177.230 0.300 1 312 . 40 ALA CB C 14.517 0.300 1 313 . 40 ALA HB H 1.250 0.032 1 314 . 41 ILE H H 8.002 0.030 1 315 . 41 ILE N N 117.746 0.100 1 316 . 41 ILE CA C 62.878 0.300 1 317 . 41 ILE HA H 3.148 0.035 1 318 . 41 ILE C C 175.474 0.300 1 319 . 41 ILE CB C 35.685 0.300 1 320 . 41 ILE HB H 1.751 0.037 1 321 . 41 ILE CG2 C 14.382 0.300 1 322 . 41 ILE HG2 H 0.772 0.034 1 323 . 41 ILE CG1 C 27.595 0.300 1 324 . 41 ILE HG12 H 1.590 0.034 2 325 . 41 ILE HG13 H 0.305 0.036 2 326 . 41 ILE CD1 C 11.416 0.300 1 327 . 41 ILE HD1 H 0.605 0.030 1 328 . 42 SER H H 8.065 0.030 1 329 . 42 SER N N 116.764 0.100 1 330 . 42 SER CA C 58.628 0.330 1 331 . 42 SER HA H 4.145 0.030 1 332 . 42 SER C C 174.284 0.300 1 333 . 42 SER CB C 60.225 0.300 1 334 . 42 SER HB2 H 3.938 0.030 2 335 . 42 SER HB3 H 3.896 0.030 2 336 . 43 ARG H H 8.363 0.030 1 337 . 43 ARG N N 120.736 0.100 1 338 . 43 ARG CA C 55.371 0.300 1 339 . 43 ARG HA H 4.160 0.036 1 340 . 43 ARG C C 178.261 0.300 1 341 . 43 ARG CB C 27.595 0.300 1 342 . 43 ARG HB2 H 1.739 0.036 1 343 . 43 ARG CG C 25.168 0.300 1 344 . 43 ARG HG2 H 1.583 0.038 1 345 . 43 ARG CD C 40.809 0.300 1 346 . 43 ARG HD2 H 3.018 0.037 1 347 . 43 ARG NE N 109.161 0.100 1 348 . 43 ARG HE H 7.112 0.030 1 349 . 44 ASN H H 7.776 0.030 1 350 . 44 ASN N N 120.447 0.100 1 351 . 44 ASN CA C 53.708 0.300 1 352 . 44 ASN HA H 4.658 0.030 1 353 . 44 ASN C C 174.146 0.300 1 354 . 44 ASN CB C 37.345 0.300 1 355 . 44 ASN HB2 H 2.750 0.032 2 356 . 44 ASN HB3 H 2.599 0.037 2 357 . 44 ASN ND2 N 112.441 0.100 1 358 . 44 ASN HD21 H 7.569 0.030 1 359 . 44 ASN HD22 H 7.224 0.030 1 360 . 45 SER H H 8.151 0.030 1 361 . 45 SER N N 107.816 0.100 1 362 . 45 SER CA C 57.715 0.300 1 363 . 45 SER HA H 4.401 0.037 1 364 . 45 SER C C 171.838 0.300 1 365 . 45 SER CB C 60.495 0.300 1 366 . 45 SER HB2 H 4.049 0.030 2 367 . 45 SER HB3 H 3.985 0.032 2 368 . 46 GLU H H 7.720 0.030 1 369 . 46 GLU N N 119.868 0.100 1 370 . 46 GLU CA C 53.423 0.300 1 371 . 46 GLU HA H 4.367 0.036 1 372 . 46 GLU C C 173.217 0.300 1 373 . 46 GLU CB C 27.326 0.300 1 374 . 46 GLU HB2 H 1.904 0.039 1 375 . 46 GLU CG C 33.528 0.300 1 376 . 46 GLU HG2 H 2.166 0.034 1 377 . 47 GLN H H 8.003 0.030 1 378 . 47 GLN N N 115.431 0.100 1 379 . 47 GLN CA C 54.020 0.300 1 380 . 47 GLN HA H 4.155 0.030 1 381 . 47 GLN C C 173.277 0.300 1 382 . 47 GLN CB C 24.500 0.300 1 383 . 47 GLN HB2 H 2.169 0.030 1 384 . 47 GLN CG C 31.549 0.300 1 385 . 47 GLN HG2 H 2.288 0.030 1 386 . 47 GLN NE2 N 112.634 0.100 1 387 . 47 GLN HE21 H 7.498 0.030 1 388 . 47 GLN HE22 H 6.741 0.030 1 389 . 48 MET H H 8.282 0.030 1 390 . 48 MET N N 117.360 0.100 1 391 . 48 MET CA C 52.674 0.300 1 392 . 48 MET HA H 4.481 0.033 1 393 . 48 MET C C 173.217 0.300 1 394 . 48 MET CB C 29.483 0.300 1 395 . 48 MET HB2 H 2.544 0.035 2 396 . 48 MET HB3 H 2.450 0.039 2 397 . 48 MET CG C 30.292 0.300 1 398 . 48 MET HG2 H 2.120 0.035 2 399 . 48 MET HG3 H 1.851 0.034 2 400 . 49 ALA H H 7.601 0.030 1 401 . 49 ALA N N 121.604 0.100 1 402 . 49 ALA CA C 49.646 0.300 1 403 . 49 ALA HA H 4.390 0.035 1 404 . 49 ALA C C 174.540 0.300 1 405 . 49 ALA CB C 17.888 0.300 1 406 . 49 ALA HB H 1.280 0.030 1 407 . 50 SER H H 8.456 0.030 1 408 . 50 SER N N 116.792 0.100 1 409 . 50 SER CA C 55.087 0.300 1 410 . 50 SER HA H 4.446 0.031 1 411 . 50 SER C C 172.147 0.300 1 412 . 50 SER CB C 61.965 0.300 1 413 . 50 SER HB2 H 4.129 0.033 2 414 . 50 SER HB3 H 3.881 0.035 2 415 . 51 HIS H H 8.685 0.030 1 416 . 51 HIS N N 122.314 0.100 1 417 . 51 HIS CA C 56.723 0.300 1 418 . 51 HIS HA H 4.340 0.036 1 419 . 51 HIS C C 174.765 0.300 1 420 . 51 HIS CB C 27.865 0.300 1 421 . 51 HIS HB2 H 3.315 0.031 2 422 . 51 HIS HB3 H 3.236 0.031 2 423 . 51 HIS CD2 C 115.474 0.300 1 424 . 51 HIS HD2 H 7.095 0.031 1 425 . 51 HIS CE1 C 134.586 0.300 1 426 . 51 HIS HE1 H 7.924 0.030 1 427 . 52 SER H H 8.322 0.030 1 428 . 52 SER N N 113.984 0.100 1 429 . 52 SER CA C 58.607 0.300 1 430 . 52 SER HA H 4.062 0.038 1 431 . 52 SER C C 173.371 0.300 1 432 . 52 SER CB C 58.607 0.300 1 433 . 52 SER HB2 H 3.873 0.031 1 434 . 53 ALA H H 7.946 0.030 1 435 . 53 ALA N N 125.077 0.100 1 436 . 53 ALA CA C 52.365 0.300 1 437 . 53 ALA HA H 4.093 0.030 1 438 . 53 ALA C C 178.652 0.300 1 439 . 53 ALA CB C 15.375 0.300 1 440 . 53 ALA HB H 1.446 0.034 1 441 . 54 VAL H H 7.513 0.030 1 442 . 54 VAL N N 119.682 0.100 1 443 . 54 VAL CA C 64.000 0.300 1 444 . 54 VAL HA H 3.140 0.033 1 445 . 54 VAL C C 174.453 0.300 1 446 . 54 VAL CB C 28.505 0.300 1 447 . 54 VAL HB H 1.831 0.036 1 448 . 54 VAL CG1 C 19.506 0.300 1 449 . 54 VAL HG1 H 0.457 0.031 2 450 . 54 VAL CG2 C 18.697 0.300 1 451 . 54 VAL HG2 H 0.092 0.035 2 452 . 55 LEU H H 7.663 0.030 1 453 . 55 LEU N N 119.193 0.100 1 454 . 55 LEU CA C 55.363 0.312 1 455 . 55 LEU HA H 3.709 0.030 1 456 . 55 LEU C C 176.662 0.300 1 457 . 55 LEU CB C 38.382 0.300 1 458 . 55 LEU HB2 H 1.643 0.030 2 459 . 55 LEU HB3 H 1.543 0.037 2 460 . 55 LEU CG C 24.144 0.371 1 461 . 55 LEU CD1 C 20.584 0.300 1 462 . 55 LEU HD1 H 0.749 0.031 2 463 . 55 LEU CD2 C 22.202 0.300 1 464 . 55 LEU HD2 H 0.825 0.031 2 465 . 55 LEU HG H 1.441 0.233 1 466 . 56 GLU H H 8.289 0.030 1 467 . 56 GLU N N 119.220 0.100 1 468 . 56 GLU CA C 56.719 0.300 1 469 . 56 GLU HA H 3.860 0.034 1 470 . 56 GLU C C 175.734 0.300 1 471 . 56 GLU CB C 26.769 0.300 1 472 . 56 GLU HB2 H 1.914 0.034 2 473 . 56 GLU HB3 H 1.838 0.030 2 474 . 56 GLU CG C 33.258 0.300 1 475 . 56 GLU HG2 H 2.190 0.031 1 476 . 57 ALA H H 7.694 0.000 1 477 . 57 ALA N N 121.026 0.100 1 478 . 57 ALA CA C 52.263 0.300 1 479 . 57 ALA HA H 4.145 0.030 1 480 . 57 ALA C C 179.272 0.300 1 481 . 57 ALA CB C 14.691 0.300 1 482 . 57 ALA HB H 1.385 0.032 1 483 . 58 GLY H H 8.907 0.030 1 484 . 58 GLY N N 110.212 0.100 1 485 . 58 GLY CA C 45.124 0.300 1 486 . 58 GLY HA2 H 3.513 0.034 2 487 . 58 GLY HA3 H 3.695 0.032 2 488 . 58 GLY C C 170.967 0.300 1 489 . 59 LYS H H 8.579 0.030 1 490 . 59 LYS N N 124.134 0.100 1 491 . 59 LYS CA C 56.920 0.300 1 492 . 59 LYS HA H 3.867 0.036 1 493 . 59 LYS C C 176.635 0.300 1 494 . 59 LYS CB C 28.944 0.300 1 495 . 59 LYS HB2 H 1.839 0.036 1 496 . 59 LYS CG C 22.741 0.300 1 497 . 59 LYS HG2 H 1.543 0.030 2 498 . 59 LYS HG3 H 1.341 0.030 2 499 . 59 LYS CD C 26.517 0.300 1 500 . 59 LYS HD2 H 1.547 0.030 1 501 . 59 LYS CE C 38.921 0.300 1 502 . 59 LYS HE2 H 2.772 0.035 1 503 . 60 ASN H H 8.064 0.030 1 504 . 60 ASN N N 119.289 0.100 1 505 . 60 ASN CA C 52.944 0.300 1 506 . 60 ASN HA H 4.137 0.030 1 507 . 60 ASN C C 173.710 0.300 1 508 . 60 ASN CB C 34.704 0.300 1 509 . 60 ASN HB2 H 2.728 0.033 2 510 . 60 ASN HB3 H 2.453 0.035 2 511 . 60 ASN ND2 N 111.485 0.100 1 512 . 60 ASN HD21 H 7.524 0.030 1 513 . 60 ASN HD22 H 6.832 0.030 1 514 . 61 LEU H H 7.602 0.030 1 515 . 61 LEU N N 119.558 0.100 1 516 . 61 LEU CA C 55.422 0.300 1 517 . 61 LEU HA H 4.364 0.035 1 518 . 61 LEU C C 175.968 0.300 1 519 . 61 LEU CB C 38.112 0.300 1 520 . 61 LEU HB2 H 2.046 0.038 2 521 . 61 LEU HB3 H 1.465 0.030 2 522 . 61 LEU CG C 24.899 0.300 1 523 . 61 LEU CD1 C 25.708 0.300 1 524 . 61 LEU HD1 H 0.828 0.034 2 525 . 61 LEU CD2 C 22.202 0.300 1 526 . 61 LEU HD2 H 0.939 0.035 2 527 . 61 LEU HG H 1.469 0.038 1 528 . 62 TYR H H 8.556 0.030 1 529 . 62 TYR N N 120.377 0.100 1 530 . 62 TYR CA C 60.495 0.300 1 531 . 62 TYR HA H 3.679 0.034 1 532 . 62 TYR C C 173.088 0.300 1 533 . 62 TYR CB C 35.406 0.338 1 534 . 62 TYR HB2 H 3.084 0.034 2 535 . 62 TYR HB3 H 2.795 0.034 2 536 . 62 TYR CD1 C 128.822 0.300 3 537 . 62 TYR HD1 H 6.831 0.033 3 538 . 62 TYR CE1 C 115.777 0.300 3 539 . 62 TYR HE1 H 6.669 0.032 3 540 . 63 SER H H 8.112 0.030 1 541 . 63 SER N N 113.309 0.100 1 542 . 63 SER CA C 58.877 0.300 1 543 . 63 SER HA H 3.881 0.039 1 544 . 63 SER C C 175.084 0.300 1 545 . 63 SER CB C 59.692 0.300 1 546 . 63 SER HB2 H 3.807 0.031 1 547 . 64 PHE H H 8.026 0.030 1 548 . 64 PHE N N 120.158 0.100 1 549 . 64 PHE CA C 56.315 0.300 1 550 . 64 PHE HA H 4.605 0.032 1 551 . 64 PHE C C 175.871 0.300 1 552 . 64 PHE CB C 35.251 0.300 1 553 . 64 PHE HB2 H 3.205 0.030 2 554 . 64 PHE HB3 H 2.982 0.030 2 555 . 64 PHE CD1 C 127.608 0.300 3 556 . 64 PHE HD1 H 7.160 0.030 3 557 . 64 PHE HE1 H 7.185 0.031 3 558 . 64 PHE CZ C 125.788 0.300 1 559 . 64 PHE HZ H 6.997 0.030 1 560 . 65 CYS H H 8.618 0.030 1 561 . 65 CYS N N 117.746 0.100 1 562 . 65 CYS CA C 63.322 0.300 1 563 . 65 CYS HA H 4.106 0.034 1 564 . 65 CYS C C 174.074 0.300 1 565 . 65 CYS CB C 24.090 0.300 1 566 . 65 CYS HB2 H 3.028 0.035 2 567 . 65 CYS HB3 H 2.378 0.030 2 568 . 66 VAL H H 8.117 0.030 1 569 . 66 VAL N N 118.518 0.100 1 570 . 66 VAL CA C 63.730 0.300 1 571 . 66 VAL HA H 3.419 0.031 1 572 . 66 VAL C C 175.594 0.300 1 573 . 66 VAL CB C 28.686 0.300 1 574 . 66 VAL HB H 1.832 0.032 1 575 . 66 VAL CG1 C 19.775 0.300 1 576 . 66 VAL HG1 H 0.479 0.032 2 577 . 66 VAL CG2 C 18.697 0.300 1 578 . 66 VAL HG2 H 0.698 0.003 2 579 . 67 SER H H 7.318 0.000 1 580 . 67 SER N N 114.177 0.100 1 581 . 67 SER CA C 58.510 0.300 1 582 . 67 SER HA H 4.347 0.031 1 583 . 67 SER C C 172.633 0.300 1 584 . 67 SER CB C 61.034 0.300 1 585 . 67 SER HB2 H 3.984 0.034 1 586 . 68 TYR H H 8.286 0.030 1 587 . 68 TYR N N 122.280 0.100 1 588 . 68 TYR CA C 57.497 0.300 1 589 . 68 TYR HA H 4.212 0.033 1 590 . 68 TYR C C 174.305 0.300 1 591 . 68 TYR CB C 37.574 0.300 1 592 . 68 TYR HB2 H 2.966 0.037 2 593 . 68 TYR HB3 H 2.828 0.036 2 594 . 68 TYR CD1 C 129.125 0.300 3 595 . 68 TYR HD1 H 6.564 0.032 3 596 . 68 TYR CE1 C 113.957 0.300 3 597 . 68 TYR HE1 H 6.344 0.036 3 598 . 69 VAL H H 7.814 0.030 1 599 . 69 VAL N N 117.843 0.100 1 600 . 69 VAL CA C 62.800 0.300 1 601 . 69 VAL HA H 3.499 0.034 1 602 . 69 VAL C C 172.817 0.300 1 603 . 69 VAL CB C 28.944 0.300 1 604 . 69 VAL HB H 2.118 0.030 1 605 . 69 VAL CG1 C 20.854 0.300 1 606 . 69 VAL HG1 H 1.085 0.031 2 607 . 69 VAL CG2 C 17.348 0.300 1 608 . 69 VAL HG2 H 0.955 0.034 2 609 . 70 ASP H H 7.302 0.030 1 610 . 70 ASP N N 116.781 0.100 1 611 . 70 ASP CA C 53.783 0.300 1 612 . 70 ASP HA H 4.329 0.033 1 613 . 70 ASP C C 174.203 0.300 1 614 . 70 ASP CB C 37.846 0.300 1 615 . 70 ASP HB2 H 2.633 0.030 2 616 . 70 ASP HB3 H 2.474 0.030 2 617 . 71 SER H H 7.959 0.030 1 618 . 71 SER N N 114.981 0.100 1 619 . 71 SER CA C 56.450 0.300 1 620 . 71 SER HA H 4.176 0.030 1 621 . 71 SER C C 171.299 0.300 1 622 . 71 SER CB C 60.958 0.300 1 623 . 71 SER HB2 H 3.611 0.030 2 624 . 71 SER HB3 H 3.471 0.032 2 625 . 72 ILE H H 7.039 0.030 1 626 . 72 ILE N N 123.653 0.100 1 627 . 72 ILE CA C 59.387 0.300 1 628 . 72 ILE HA H 3.700 0.033 1 629 . 72 ILE C C 173.536 0.300 1 630 . 72 ILE CB C 35.126 0.300 1 631 . 72 ILE HB H 1.640 0.032 1 632 . 72 ILE CG2 C 15.191 0.300 1 633 . 72 ILE HG2 H 0.768 0.037 1 634 . 72 ILE CG1 C 24.359 0.300 1 635 . 72 ILE HG12 H 1.106 0.030 2 636 . 72 ILE HG13 H 0.598 0.039 2 637 . 72 ILE CD1 C 11.416 0.300 1 638 . 72 ILE HD1 H 0.325 0.039 1 639 . 73 GLN H H 8.798 0.030 1 640 . 73 GLN N N 125.820 0.100 1 641 . 73 GLN CA C 54.964 0.300 1 642 . 73 GLN HA H 4.036 0.032 1 643 . 73 GLN C C 173.927 0.300 1 644 . 73 GLN CB C 27.326 0.300 1 645 . 73 GLN HB2 H 2.105 0.031 2 646 . 73 GLN HB3 H 1.876 0.031 2 647 . 73 GLN CG C 31.101 0.300 1 648 . 73 GLN HG2 H 2.289 0.035 1 649 . 73 GLN NE2 N 112.537 0.100 1 650 . 73 GLN HE21 H 7.596 0.030 1 651 . 73 GLN HE22 H 6.836 0.030 1 652 . 74 GLN H H 7.746 0.030 1 653 . 74 GLN N N 118.498 0.100 1 654 . 74 GLN CA C 53.192 0.300 1 655 . 74 GLN HA H 4.393 0.032 1 656 . 74 GLN C C 174.353 0.300 1 657 . 74 GLN CB C 25.977 0.300 1 658 . 74 GLN HB2 H 2.083 0.032 2 659 . 74 GLN HB3 H 1.993 0.035 2 660 . 74 GLN CG C 31.101 0.300 1 661 . 74 GLN HG2 H 2.407 0.039 1 662 . 74 GLN NE2 N 113.460 0.100 1 663 . 74 GLN HE21 H 7.781 0.030 1 664 . 74 GLN HE22 H 7.173 0.030 1 665 . 75 MET H H 8.838 0.030 1 666 . 75 MET N N 127.006 0.100 1 667 . 75 MET CA C 55.371 0.300 1 668 . 75 MET HA H 4.022 0.031 1 669 . 75 MET C C 175.339 0.300 1 670 . 75 MET CB C 29.483 0.300 1 671 . 75 MET HB2 H 2.561 0.030 2 672 . 75 MET HB3 H 2.474 0.035 2 673 . 75 MET CG C 29.483 0.300 1 674 . 75 MET HG2 H 2.067 0.031 2 675 . 75 MET HG3 H 1.948 0.038 2 676 . 76 ARG H H 8.879 0.030 1 677 . 76 ARG N N 118.807 0.100 1 678 . 76 ARG CA C 56.719 0.300 1 679 . 76 ARG HA H 4.106 0.032 1 680 . 76 ARG C C 176.503 0.300 1 681 . 76 ARG CG C 23.820 0.300 1 682 . 76 ARG HG2 H 1.545 0.036 1 683 . 76 ARG HD2 H 3.116 0.030 1 684 . 77 ASN H H 7.396 0.030 1 685 . 77 ASN N N 117.360 0.100 1 686 . 77 ASN CA C 52.135 0.300 1 687 . 77 ASN HA H 4.679 0.033 1 688 . 77 ASN C C 173.673 0.300 1 689 . 77 ASN CB C 35.416 0.300 1 690 . 77 ASN HB2 H 2.707 0.032 2 691 . 77 ASN HB3 H 2.569 0.032 2 692 . 77 ASN ND2 N 113.984 0.100 1 693 . 77 ASN HD21 H 7.779 0.030 1 694 . 77 ASN HD22 H 7.176 0.030 1 695 . 78 LYS H H 8.279 0.030 1 696 . 78 LYS N N 123.823 0.100 1 697 . 78 LYS CA C 58.068 0.300 1 698 . 78 LYS HA H 3.799 0.031 1 699 . 78 LYS C C 175.563 0.300 1 700 . 78 LYS CB C 30.022 0.300 1 701 . 78 LYS HB2 H 1.741 0.030 1 702 . 78 LYS CG C 22.472 0.300 1 703 . 78 LYS HG2 H 1.404 0.036 2 704 . 78 LYS HG3 H 1.273 0.034 2 705 . 78 LYS CD C 27.056 0.300 1 706 . 78 LYS HD2 H 1.645 0.037 1 707 . 78 LYS CE C 39.191 0.300 1 708 . 78 LYS HE2 H 2.868 0.034 1 709 . 79 PHE H H 8.356 0.030 1 710 . 79 PHE N N 118.460 0.100 1 711 . 79 PHE CA C 56.512 0.300 1 712 . 79 PHE HA H 4.104 0.030 1 713 . 79 PHE C C 175.557 0.300 1 714 . 79 PHE CB C 35.595 0.300 1 715 . 79 PHE HB2 H 3.162 0.030 1 716 . 79 PHE CD1 C 127.912 0.300 3 717 . 79 PHE HD1 H 7.197 0.030 3 718 . 79 PHE HE1 H 7.214 0.030 3 719 . 80 ALA H H 7.772 0.030 1 720 . 80 ALA N N 121.508 0.100 1 721 . 80 ALA CA C 52.347 0.300 1 722 . 80 ALA HA H 4.139 0.030 1 723 . 80 ALA C C 178.107 0.300 1 724 . 80 ALA CB C 15.215 0.300 1 725 . 80 ALA HB H 1.555 0.036 1 726 . 81 PHE H H 8.626 0.030 1 727 . 81 PHE N N 120.833 0.100 1 728 . 81 PHE CA C 58.257 0.300 1 729 . 81 PHE HA H 4.270 0.030 1 730 . 81 PHE C C 174.364 0.300 1 731 . 81 PHE CB C 36.815 0.300 1 732 . 81 PHE HB2 H 3.257 0.034 2 733 . 81 PHE HB3 H 3.149 0.030 2 734 . 81 PHE CD1 C 127.912 0.300 3 735 . 81 PHE HD1 H 7.153 0.030 3 736 . 81 PHE CE1 C 127.912 0.300 3 737 . 81 PHE HE1 H 7.098 0.030 3 738 . 81 PHE CZ C 125.485 0.300 1 739 . 81 PHE HZ H 7.179 0.030 1 740 . 82 ARG H H 8.630 0.030 1 741 . 82 ARG N N 118.835 0.100 1 742 . 82 ARG CA C 58.068 0.300 1 743 . 82 ARG HA H 3.766 0.030 1 744 . 82 ARG C C 176.020 0.300 1 745 . 82 ARG CB C 27.056 0.300 1 746 . 82 ARG HB2 H 1.911 0.030 1 747 . 82 ARG CG C 25.168 0.300 1 748 . 82 ARG HG2 H 1.706 0.030 2 749 . 82 ARG HG3 H 1.626 0.038 2 750 . 82 ARG CD C 40.780 0.300 1 751 . 82 ARG HD2 H 3.108 0.036 1 752 . 83 GLU H H 7.874 0.030 1 753 . 83 GLU N N 118.518 0.100 1 754 . 83 GLU CA C 56.667 0.300 1 755 . 83 GLU HA H 3.951 0.036 1 756 . 83 GLU C C 176.352 0.300 1 757 . 83 GLU CB C 26.539 0.300 1 758 . 83 GLU HB2 H 1.882 0.030 1 759 . 83 GLU CG C 33.839 0.300 1 760 . 83 GLU HG2 H 2.070 0.030 1 761 . 84 ALA H H 7.692 0.030 1 762 . 84 ALA N N 122.834 0.100 1 763 . 84 ALA CA C 52.516 0.300 1 764 . 84 ALA HA H 4.032 0.030 1 765 . 84 ALA C C 178.077 0.300 1 766 . 84 ALA CB C 15.373 0.300 1 767 . 84 ALA HB H 1.323 0.034 1 768 . 85 ILE H H 8.386 0.000 1 769 . 85 ILE N N 119.482 0.100 1 770 . 85 ILE CA C 62.900 0.300 1 771 . 85 ILE HA H 3.488 0.036 1 772 . 85 ILE C C 174.671 0.300 1 773 . 85 ILE CB C 34.876 0.300 1 774 . 85 ILE HB H 1.807 0.038 1 775 . 85 ILE CG2 C 15.461 0.300 1 776 . 85 ILE HG2 H 0.618 0.034 1 777 . 85 ILE CG1 C 25.708 0.300 1 778 . 85 ILE HG12 H 1.324 0.036 2 779 . 85 ILE HG13 H 0.477 0.038 2 780 . 85 ILE CD1 C 11.416 0.300 1 781 . 85 ILE HD1 H 0.323 0.030 1 782 . 86 ASN H H 7.918 0.030 1 783 . 86 ASN N N 120.521 0.100 1 784 . 86 ASN CA C 52.944 0.300 1 785 . 86 ASN HA H 4.498 0.033 1 786 . 86 ASN C C 175.464 0.300 1 787 . 86 ASN CB C 35.146 0.300 1 788 . 86 ASN HB2 H 2.869 0.031 2 789 . 86 ASN HB3 H 2.782 0.030 2 790 . 86 ASN ND2 N 111.573 0.100 1 791 . 86 ASN HD21 H 7.562 0.030 1 792 . 86 ASN HD22 H 6.750 0.030 1 793 . 87 LYS H H 7.668 0.030 1 794 . 87 LYS N N 120.736 0.100 1 795 . 87 LYS CA C 56.989 0.300 1 796 . 87 LYS HA H 4.017 0.030 1 797 . 87 LYS C C 175.704 0.300 1 798 . 87 LYS CB C 29.213 0.300 1 799 . 87 LYS HB2 H 1.836 0.035 1 800 . 87 LYS CG C 22.741 0.300 1 801 . 87 LYS HG2 H 1.531 0.038 2 802 . 87 LYS HG3 H 1.333 0.039 2 803 . 87 LYS CD C 26.517 0.300 1 804 . 87 LYS HD2 H 1.587 0.032 1 805 . 87 LYS CE C 39.191 0.300 1 806 . 87 LYS HE2 H 2.889 0.035 1 807 . 88 LEU H H 7.833 0.030 1 808 . 88 LEU N N 121.017 0.100 1 809 . 88 LEU CA C 56.009 0.300 1 810 . 88 LEU HA H 3.983 0.030 1 811 . 88 LEU C C 174.955 0.300 1 812 . 88 LEU CB C 38.652 0.300 1 813 . 88 LEU HB2 H 2.292 0.031 2 814 . 88 LEU HB3 H 1.391 0.031 2 815 . 88 LEU CG C 24.629 0.300 1 816 . 88 LEU CD1 C 20.854 0.300 1 817 . 88 LEU HD1 H 0.790 0.034 1 818 . 88 LEU CD2 C 23.550 0.300 1 819 . 88 LEU HD2 H 0.877 0.030 1 820 . 88 LEU HG H 1.486 0.036 1 821 . 89 GLU H H 8.588 0.030 1 822 . 89 GLU N N 119.482 0.100 1 823 . 89 GLU CA C 57.259 0.300 1 824 . 89 GLU HA H 3.360 0.037 1 825 . 89 GLU C C 176.019 0.300 1 826 . 89 GLU CB C 26.517 0.300 1 827 . 89 GLU HB2 H 2.154 0.039 2 828 . 89 GLU HB3 H 1.999 0.037 2 829 . 89 GLU CG C 32.989 0.300 1 830 . 89 GLU HG2 H 1.840 0.034 1 831 . 90 ASN H H 7.836 0.030 1 832 . 90 ASN N N 117.650 0.100 1 833 . 90 ASN CA C 53.462 0.300 1 834 . 90 ASN HA H 4.209 0.030 1 835 . 90 ASN C C 174.828 0.300 1 836 . 90 ASN CB C 35.481 0.300 1 837 . 90 ASN HB2 H 2.766 0.030 1 838 . 90 ASN ND2 N 113.309 0.100 1 839 . 90 ASN HD21 H 7.412 0.030 1 840 . 90 ASN HD22 H 6.800 0.030 1 841 . 91 ASN H H 8.497 0.030 1 842 . 91 ASN N N 119.193 0.100 1 843 . 91 ASN CA C 52.610 0.300 1 844 . 91 ASN HA H 4.416 0.030 1 845 . 91 ASN C C 175.687 0.300 1 846 . 91 ASN CB C 35.416 0.300 1 847 . 91 ASN HB2 H 2.784 0.034 2 848 . 91 ASN HB3 H 2.386 0.033 2 849 . 91 ASN ND2 N 110.705 0.100 1 850 . 91 ASN HD21 H 6.764 0.030 1 851 . 91 ASN HD22 H 6.658 0.030 1 852 . 92 LEU H H 8.421 0.030 1 853 . 92 LEU N N 120.640 0.100 1 854 . 92 LEU CA C 55.236 0.300 1 855 . 92 LEU HA H 3.930 0.038 1 856 . 92 LEU C C 176.486 0.300 1 857 . 92 LEU CB C 38.382 0.300 1 858 . 92 LEU HB2 H 1.783 0.034 2 859 . 92 LEU HB3 H 1.175 0.030 2 860 . 92 LEU CG C 23.550 0.300 1 861 . 92 LEU CD1 C 22.741 0.300 1 862 . 92 LEU HD1 H 0.549 0.031 2 863 . 92 LEU CD2 C 19.775 0.300 1 864 . 92 LEU HD2 H 0.703 0.030 2 865 . 92 LEU HG H 1.694 0.031 1 866 . 93 ARG H H 7.934 0.030 1 867 . 93 ARG N N 120.618 0.100 1 868 . 93 ARG CA C 56.882 0.300 1 869 . 93 ARG HA H 3.894 0.032 1 870 . 93 ARG C C 176.685 0.300 1 871 . 93 ARG CB C 27.056 0.300 1 872 . 93 ARG HB2 H 1.908 0.034 2 873 . 93 ARG HB3 H 1.828 0.037 2 874 . 93 ARG CG C 24.899 0.300 1 875 . 93 ARG HG2 H 1.556 0.030 2 876 . 93 ARG HG3 H 1.478 0.034 2 877 . 93 ARG CD C 40.539 0.300 1 878 . 93 ARG HD2 H 3.104 0.038 1 879 . 94 GLU H H 7.626 0.030 1 880 . 94 GLU N N 117.264 0.100 1 881 . 94 GLU CA C 55.977 0.300 1 882 . 94 GLU HA H 3.969 0.030 1 883 . 94 GLU C C 175.306 0.300 1 884 . 94 GLU CB C 27.255 0.300 1 885 . 94 GLU HB2 H 2.139 0.035 1 886 . 94 GLU CG C 32.539 0.380 1 887 . 94 GLU HG2 H 2.373 0.034 2 888 . 94 GLU HG3 H 2.149 0.030 2 889 . 95 LEU H H 7.215 0.030 1 890 . 95 LEU N N 117.534 0.100 1 891 . 95 LEU CA C 53.023 0.300 1 892 . 95 LEU HA H 4.268 0.038 1 893 . 95 LEU C C 174.617 0.300 1 894 . 95 LEU CB C 40.270 0.300 1 895 . 95 LEU HB2 H 1.852 0.033 2 896 . 95 LEU HB3 H 1.608 0.036 2 897 . 95 LEU CG C 24.359 0.300 1 898 . 95 LEU CD1 C 20.584 0.300 1 899 . 95 LEU HD1 H 0.789 0.034 2 900 . 95 LEU CD2 C 23.820 0.300 1 901 . 95 LEU HD2 H 0.943 0.036 2 902 . 95 LEU HG H 1.614 0.035 1 903 . 96 GLN H H 7.533 0.030 1 904 . 96 GLN N N 117.872 0.100 1 905 . 96 GLN CA C 54.205 0.300 1 906 . 96 GLN HA H 4.044 0.031 1 907 . 96 GLN C C 173.378 0.300 1 908 . 96 GLN CB C 26.897 0.300 1 909 . 96 GLN HB2 H 2.020 0.031 1 910 . 96 GLN CG C 31.620 0.300 1 911 . 96 GLN HG2 H 2.375 0.030 1 912 . 96 GLN NE2 N 111.766 0.100 1 913 . 96 GLN HE21 H 7.185 0.030 1 914 . 96 GLN HE22 H 6.795 0.030 1 915 . 97 ILE H H 7.629 0.030 1 916 . 97 ILE N N 118.807 0.100 1 917 . 97 ILE CA C 58.512 0.300 1 918 . 97 ILE HA H 4.050 0.030 1 919 . 97 ILE C C 172.982 0.300 1 920 . 97 ILE CB C 35.802 0.300 1 921 . 97 ILE HB H 1.802 0.030 1 922 . 97 ILE CG2 C 14.652 0.300 1 923 . 97 ILE HG2 H 0.791 0.034 1 924 . 97 ILE CG1 C 24.359 0.300 1 925 . 97 ILE HG12 H 1.401 0.030 2 926 . 97 ILE HG13 H 1.104 0.030 2 927 . 97 ILE CD1 C 10.337 0.300 1 928 . 97 ILE HD1 H 0.737 0.030 1 929 . 98 CYS H H 8.169 0.030 1 930 . 98 CYS N N 124.788 0.100 1 931 . 98 CYS CA C 53.753 0.300 1 932 . 98 CYS HA H 4.640 0.032 1 933 . 98 CYS CB C 24.502 0.300 1 934 . 98 CYS HB2 H 2.818 0.032 2 935 . 98 CYS HB3 H 2.756 0.030 2 936 . 99 PRO CA C 60.764 0.300 1 937 . 99 PRO HA H 4.297 0.033 1 938 . 99 PRO C C 174.128 0.300 1 939 . 99 PRO CB C 28.944 0.300 1 940 . 99 PRO HB2 H 2.197 0.036 2 941 . 99 PRO HB3 H 1.830 0.034 2 942 . 99 PRO CG C 24.629 0.300 1 943 . 99 PRO HG2 H 1.922 0.034 2 944 . 99 PRO HG3 H 1.825 0.033 2 945 . 99 PRO CD C 48.090 0.300 1 946 . 99 PRO HD2 H 3.692 0.039 2 947 . 99 PRO HD3 H 3.636 0.030 2 948 . 100 ALA H H 8.264 0.030 1 949 . 100 ALA N N 123.630 0.100 1 950 . 100 ALA CA C 50.153 0.300 1 951 . 100 ALA HA H 4.176 0.036 1 952 . 100 ALA C C 175.392 0.300 1 953 . 100 ALA CB C 16.520 0.300 1 954 . 100 ALA HB H 1.291 0.033 1 955 . 101 THR H H 7.897 0.030 1 956 . 101 THR N N 112.441 0.100 1 957 . 101 THR CA C 58.814 0.300 1 958 . 101 THR HA H 4.220 0.033 1 959 . 101 THR C C 171.637 0.300 1 960 . 101 THR CB C 67.236 0.300 1 961 . 101 THR HB H 4.130 0.035 1 962 . 101 THR CG2 C 18.799 0.325 1 963 . 101 THR HG2 H 1.109 0.030 1 964 . 102 ALA H H 8.199 0.030 1 965 . 102 ALA N N 126.331 0.100 1 966 . 102 ALA CA C 50.153 0.300 1 967 . 102 ALA HA H 4.233 0.030 1 968 . 102 ALA C C 175.439 0.300 1 969 . 102 ALA CB C 16.363 0.300 1 970 . 102 ALA HB H 1.304 0.033 1 971 . 103 GLY H H 8.303 0.030 1 972 . 103 GLY N N 108.583 0.100 1 973 . 103 GLY CA C 42.691 0.300 1 974 . 103 GLY HA2 H 3.875 0.036 1 975 . 103 GLY C C 171.360 0.300 1 976 . 104 SER H H 8.081 0.030 1 977 . 104 SER N N 115.238 0.100 1 978 . 104 SER CA C 55.522 0.300 1 979 . 104 SER HA H 4.451 0.033 1 980 . 104 SER C C 171.702 0.300 1 981 . 104 SER CB C 61.391 0.300 1 982 . 104 SER HB2 H 3.809 0.032 2 983 . 104 SER HB3 H 3.770 0.031 2 984 . 105 GLY H H 8.185 0.030 1 985 . 105 GLY N N 110.801 0.100 1 986 . 105 GLY CA C 41.825 0.300 1 987 . 105 GLY HA2 H 4.008 0.030 1 988 . 106 PRO CA C 59.686 0.300 1 989 . 106 PRO HA H 4.509 0.030 1 990 . 106 PRO C C 173.393 0.300 1 991 . 106 PRO CB C 31.957 0.346 1 992 . 106 PRO HB2 H 2.282 0.030 2 993 . 106 PRO HB3 H 2.038 0.030 2 994 . 106 PRO CG C 22.202 0.300 1 995 . 106 PRO HG2 H 1.846 0.033 1 996 . 106 PRO CD C 47.281 0.300 1 997 . 106 PRO HD2 H 3.488 0.030 2 998 . 106 PRO HD3 H 3.420 0.030 2 999 . 107 ALA H H 8.463 0.030 1 1000 . 107 ALA N N 125.077 0.100 1 1001 . 107 ALA CA C 49.731 0.300 1 1002 . 107 ALA HA H 4.221 0.030 1 1003 . 107 ALA C C 174.762 0.300 1 1004 . 107 ALA CB C 16.592 0.300 1 1005 . 107 ALA HB H 1.294 0.030 1 1006 . 108 ALA H H 8.076 0.030 1 1007 . 108 ALA N N 123.283 0.100 1 1008 . 108 ALA CA C 49.731 0.300 1 1009 . 108 ALA HA H 4.218 0.030 1 1010 . 108 ALA C C 175.078 0.300 1 1011 . 108 ALA CB C 16.627 0.300 1 1012 . 108 ALA HB H 1.279 0.035 1 1013 . 109 THR H H 7.982 0.030 1 1014 . 109 THR N N 113.984 0.100 1 1015 . 109 THR CA C 59.101 0.300 1 1016 . 109 THR HA H 4.201 0.034 1 1017 . 109 THR C C 171.500 0.300 1 1018 . 109 THR CB C 66.966 0.300 1 1019 . 109 THR HB H 4.063 0.032 1 1020 . 109 THR CG2 C 19.025 0.300 1 1021 . 109 THR HG2 H 1.109 0.034 1 1022 . 110 GLN H H 8.270 0.030 1 1023 . 110 GLN N N 123.244 0.100 1 1024 . 110 GLN CA C 52.643 0.300 1 1025 . 110 GLN HA H 4.057 0.031 1 1026 . 110 GLN C C 171.247 0.300 1 1027 . 110 GLN CB C 27.326 0.300 1 1028 . 110 GLN HB2 H 1.559 0.039 2 1029 . 110 GLN HB3 H 1.558 0.030 2 1030 . 110 GLN CG C 31.101 0.300 1 1031 . 110 GLN HG2 H 1.975 0.030 2 1032 . 110 GLN HG3 H 1.833 0.030 2 1033 . 110 GLN NE2 N 112.537 0.100 1 1034 . 110 GLN HE21 H 7.314 0.030 1 1035 . 110 GLN HE22 H 6.761 0.030 1 1036 . 111 ASP H H 8.046 0.030 1 1037 . 111 ASP N N 121.219 0.100 1 1038 . 111 ASP CA C 50.517 0.300 1 1039 . 111 ASP HA H 4.500 0.030 1 1040 . 111 ASP C C 173.959 0.300 1 1041 . 111 ASP CB C 38.382 0.300 1 1042 . 111 ASP HB2 H 2.648 0.030 2 1043 . 111 ASP HB3 H 2.529 0.033 2 1044 . 112 PHE H H 8.777 0.030 1 1045 . 112 PHE N N 123.244 0.100 1 1046 . 112 PHE CA C 54.832 0.300 1 1047 . 112 PHE HA H 4.878 0.036 1 1048 . 112 PHE C C 173.379 0.300 1 1049 . 112 PHE CB C 36.225 0.300 1 1050 . 112 PHE HB2 H 3.426 0.032 2 1051 . 112 PHE HB3 H 2.790 0.036 2 1052 . 112 PHE CD1 C 128.215 0.300 3 1053 . 112 PHE HD1 H 7.140 0.030 3 1054 . 112 PHE CE1 C 127.912 0.300 3 1055 . 112 PHE HE1 H 7.407 0.030 3 1056 . 112 PHE HZ H 7.007 0.030 1 1057 . 113 SER H H 8.596 0.030 1 1058 . 113 SER N N 117.264 0.100 1 1059 . 113 SER CA C 60.495 0.300 1 1060 . 113 SER HA H 3.980 0.031 1 1061 . 113 SER C C 174.651 0.300 1 1062 . 113 SER CB C 59.955 0.300 1 1063 . 113 SER HB2 H 3.947 0.030 1 1064 . 114 LYS H H 8.160 0.030 1 1065 . 114 LYS N N 123.726 0.100 1 1066 . 114 LYS CA C 57.259 0.300 1 1067 . 114 LYS HA H 4.102 0.033 1 1068 . 114 LYS C C 176.978 0.300 1 1069 . 114 LYS CB C 28.674 0.300 1 1070 . 114 LYS HB2 H 1.717 0.030 1 1071 . 114 LYS CG C 23.011 0.300 1 1072 . 114 LYS HG2 H 1.483 0.035 2 1073 . 114 LYS HG3 H 1.328 0.034 2 1074 . 114 LYS CD C 26.786 0.300 1 1075 . 114 LYS HD2 H 1.619 0.031 1 1076 . 114 LYS CE C 38.921 0.300 1 1077 . 114 LYS HE2 H 2.880 0.033 1 1078 . 115 LEU H H 8.197 0.030 1 1079 . 115 LEU N N 121.315 0.100 1 1080 . 115 LEU CA C 55.371 0.300 1 1081 . 115 LEU HA H 4.009 0.037 1 1082 . 115 LEU C C 176.197 0.300 1 1083 . 115 LEU CB C 38.921 0.300 1 1084 . 115 LEU HB2 H 1.758 0.036 2 1085 . 115 LEU HB3 H 1.586 0.032 2 1086 . 115 LEU CG C 24.359 0.300 1 1087 . 115 LEU CD1 C 22.472 0.300 1 1088 . 115 LEU HD1 H 0.762 0.034 2 1089 . 115 LEU CD2 C 23.281 0.300 1 1090 . 115 LEU HD2 H 0.671 0.037 2 1091 . 115 LEU HG H 1.466 0.033 1 1092 . 116 LEU H H 8.542 0.030 1 1093 . 116 LEU N N 119.289 0.100 1 1094 . 116 LEU CA C 55.182 0.300 1 1095 . 116 LEU HA H 3.872 0.036 1 1096 . 116 LEU C C 176.581 0.300 1 1097 . 116 LEU CB C 38.921 0.300 1 1098 . 116 LEU HB2 H 1.723 0.031 2 1099 . 116 LEU HB3 H 1.624 0.037 2 1100 . 116 LEU CG C 24.629 0.300 1 1101 . 116 LEU CD1 C 21.932 0.300 1 1102 . 116 LEU HD1 H 0.870 0.035 2 1103 . 116 LEU CD2 C 22.741 0.300 1 1104 . 116 LEU HD2 H 0.606 0.032 2 1105 . 116 LEU HG H 1.561 0.034 1 1106 . 117 SER H H 7.881 0.030 1 1107 . 117 SER N N 115.528 0.100 1 1108 . 117 SER CA C 58.385 0.300 1 1109 . 117 SER HA H 4.211 0.030 1 1110 . 117 SER C C 174.994 0.300 1 1111 . 117 SER CB C 59.686 0.300 1 1112 . 117 SER HB2 H 3.949 0.032 1 1113 . 118 SER H H 8.002 0.030 1 1114 . 118 SER N N 119.579 0.100 1 1115 . 118 SER CA C 59.955 0.300 1 1116 . 118 SER HA H 4.346 0.033 1 1117 . 118 SER C C 172.096 0.300 1 1118 . 118 SER CB C 61.034 0.300 1 1119 . 118 SER HB2 H 4.019 0.034 2 1120 . 118 SER HB3 H 3.743 0.032 2 1121 . 119 VAL H H 8.111 0.030 1 1122 . 119 VAL N N 122.280 0.100 1 1123 . 119 VAL CA C 64.539 0.300 1 1124 . 119 VAL HA H 3.358 0.030 1 1125 . 119 VAL C C 174.575 0.300 1 1126 . 119 VAL CB C 28.404 0.300 1 1127 . 119 VAL HB H 2.182 0.033 1 1128 . 119 VAL CG1 C 21.393 0.300 1 1129 . 119 VAL HG1 H 0.903 0.030 2 1130 . 119 VAL CG2 C 19.775 0.300 1 1131 . 119 VAL HG2 H 0.874 0.030 2 1132 . 120 LYS H H 7.851 0.030 1 1133 . 120 LYS N N 121.026 0.100 1 1134 . 120 LYS CA C 56.180 0.300 1 1135 . 120 LYS HA H 3.944 0.030 1 1136 . 120 LYS C C 175.231 0.300 1 1137 . 120 LYS CB C 29.252 0.394 1 1138 . 120 LYS HB2 H 1.889 0.030 2 1139 . 120 LYS HB3 H 1.850 0.030 2 1140 . 120 LYS CG C 22.202 0.300 1 1141 . 120 LYS HG2 H 1.407 0.030 1 1142 . 120 LYS CD C 26.517 0.300 1 1143 . 120 LYS HD2 H 1.637 0.037 1 1144 . 120 LYS CE C 38.921 0.300 1 1145 . 120 LYS HE2 H 2.870 0.030 1 1146 . 121 GLU H H 7.819 0.030 1 1147 . 121 GLU N N 119.579 0.100 1 1148 . 121 GLU CA C 56.990 0.300 1 1149 . 121 GLU HA H 4.049 0.030 1 1150 . 121 GLU C C 176.494 0.300 1 1151 . 121 GLU CB C 27.360 0.300 1 1152 . 121 GLU HB2 H 2.121 0.036 1 1153 . 121 GLU CG C 33.798 0.300 1 1154 . 121 GLU HG2 H 2.352 0.030 1 1155 . 122 ILE H H 8.052 0.030 1 1156 . 122 ILE N N 118.518 0.100 1 1157 . 122 ILE CA C 63.237 0.300 1 1158 . 122 ILE HA H 3.480 0.030 1 1159 . 122 ILE C C 174.448 0.300 1 1160 . 122 ILE CB C 35.416 0.300 1 1161 . 122 ILE HB H 1.942 0.034 1 1162 . 122 ILE CG2 C 15.461 0.300 1 1163 . 122 ILE HG2 H 1.333 0.030 1 1164 . 122 ILE CG1 C 28.135 0.300 1 1165 . 122 ILE HG12 H 1.774 0.030 2 1166 . 122 ILE HG13 H 0.778 0.038 2 1167 . 122 ILE CD1 C 12.225 0.300 1 1168 . 122 ILE HD1 H 0.702 0.034 1 1169 . 123 SER H H 8.347 0.030 1 1170 . 123 SER N N 113.791 0.100 1 1171 . 123 SER CA C 59.028 0.300 1 1172 . 123 SER HA H 3.848 0.035 1 1173 . 123 SER C C 173.390 0.300 1 1174 . 123 SER CB C 59.776 0.300 1 1175 . 123 SER HB2 H 3.841 0.033 1 1176 . 124 ASP H H 8.314 0.030 1 1177 . 124 ASP N N 119.965 0.100 1 1178 . 124 ASP CA C 54.562 0.300 1 1179 . 124 ASP HA H 4.255 0.035 1 1180 . 124 ASP C C 176.376 0.300 1 1181 . 124 ASP CB C 37.999 0.300 1 1182 . 124 ASP HB2 H 2.811 0.030 2 1183 . 124 ASP HB3 H 2.575 0.035 2 1184 . 125 ILE H H 7.837 0.030 1 1185 . 125 ILE N N 118.421 0.100 1 1186 . 125 ILE CA C 62.731 0.300 1 1187 . 125 ILE HA H 3.556 0.031 1 1188 . 125 ILE C C 175.916 0.300 1 1189 . 125 ILE CB C 35.955 0.300 1 1190 . 125 ILE HB H 1.855 0.035 1 1191 . 125 ILE CG2 C 14.921 0.300 1 1192 . 125 ILE HG2 H 0.862 0.030 1 1193 . 125 ILE CG1 C 26.517 0.300 1 1194 . 125 ILE HG12 H 1.972 0.038 2 1195 . 125 ILE HG13 H 0.912 0.034 2 1196 . 125 ILE CD1 C 12.494 0.300 1 1197 . 125 ILE HD1 H 0.818 0.033 1 1198 . 126 VAL H H 8.322 0.030 1 1199 . 126 VAL N N 117.245 0.100 1 1200 . 126 VAL CA C 63.009 0.300 1 1201 . 126 VAL HA H 3.547 0.033 1 1202 . 126 VAL C C 175.104 0.300 1 1203 . 126 VAL CB C 28.686 0.300 1 1204 . 126 VAL HB H 2.040 0.031 1 1205 . 126 VAL CG1 C 21.124 0.300 1 1206 . 126 VAL HG1 H 0.880 0.036 2 1207 . 126 VAL CG2 C 19.955 0.300 1 1208 . 126 VAL HG2 H 0.749 0.031 2 1209 . 127 GLN H H 7.910 0.030 1 1210 . 127 GLN N N 116.106 0.100 1 1211 . 127 GLN CA C 55.305 0.300 1 1212 . 127 GLN HA H 4.045 0.030 1 1213 . 127 GLN C C 174.036 0.300 1 1214 . 127 GLN CB C 26.825 0.300 1 1215 . 127 GLN HB2 H 2.132 0.031 2 1216 . 127 GLN HB3 H 2.053 0.033 2 1217 . 127 GLN CG C 32.336 0.300 1 1218 . 127 GLN HG2 H 2.572 0.031 2 1219 . 127 GLN HG3 H 2.253 0.032 2 1220 . 127 GLN NE2 N 112.151 0.100 1 1221 . 127 GLN HE21 H 7.067 0.030 1 1222 . 127 GLN HE22 H 6.751 0.030 1 1223 . 128 ARG H H 7.339 0.030 1 1224 . 128 ARG N N 117.071 0.100 1 1225 . 128 ARG CA C 53.783 0.300 1 1226 . 128 ARG HA H 4.272 0.030 1 1227 . 128 ARG C C 173.926 0.300 1 1228 . 128 ARG CB C 28.135 0.300 1 1229 . 128 ARG HB2 H 1.795 0.030 1 1230 . 128 ARG CG C 24.899 0.300 1 1231 . 128 ARG HG2 H 1.743 0.034 1 1232 . 128 ARG CD C 41.079 0.300 1 1233 . 128 ARG HD2 H 3.026 0.035 1 1234 . 128 ARG NE N 109.933 0.100 1 1235 . 128 ARG HE H 7.080 0.030 1 1236 . 129 LEU H H 7.652 0.030 1 1237 . 129 LEU N N 121.990 0.100 1 1238 . 129 LEU CA C 52.385 0.300 1 1239 . 129 LEU HA H 4.257 0.036 1 1240 . 129 LEU C C 173.569 0.300 1 1241 . 129 LEU CB C 39.347 0.300 1 1242 . 129 LEU HB2 H 1.789 0.030 2 1243 . 129 LEU HB3 H 1.559 0.030 2 1244 . 129 LEU CG C 23.281 0.300 1 1245 . 129 LEU CD1 C 23.281 0.300 1 1246 . 129 LEU HD1 H 0.818 0.032 2 1247 . 129 LEU CD2 C 20.315 0.300 1 1248 . 129 LEU HD2 H 0.754 0.034 2 1249 . 129 LEU HG H 1.969 0.030 1 1250 . 130 GLU H H 7.895 0.030 1 1251 . 130 GLU N N 125.656 0.100 1 1252 . 130 GLU CA C 55.391 0.300 1 1253 . 130 GLU HA H 4.002 0.030 1 1254 . 130 GLU HB2 H 1.530 0.030 1 1255 . 130 GLU HG2 H 2.099 0.030 1 stop_ save_