data_5764 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Chemical Shift Assignments for the Nuclear Factor ALY RBD Domain ; _BMRB_accession_number 5764 _BMRB_flat_file_name bmr5764.str _Entry_type original _Submission_date 2003-04-07 _Accession_date 2003-04-08 _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 Perez-Alvarado Gabriela C. . 2 Martinez-Yamout Maria . . 3 Allen Melissa M. . 4 Grosschedl Rudolf . . 5 Dyson H. Jane . 6 Wright Peter E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 589 "13C chemical shifts" 419 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-08-08 original author . stop_ _Original_release_date 2003-08-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of the Nuclear Factor ALY: Insights into Post-transcriptional Regulatory and mRNA Nuclear Export Processes ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 12809490 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Perez-Alvarado Gabriela C. . 2 Martinez-Yamout Maria . . 3 Allen Melissa M. . 4 Grosschedl Rudolf . . 5 Dyson H. Jane . 6 Wright Peter E. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 42 _Journal_issue 24 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7348 _Page_last 7357 _Year 2003 _Details . loop_ _Keyword RBD ALY REF1-I BEF 'mRNA EXPORT FACTOR' stop_ save_ ################################## # Molecular system description # ################################## save_system_ALY _Saveframe_category molecular_system _Mol_system_name ALY _Abbreviation_common ALY _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ALY monomer' $ALY stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'RNA export factor' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ALY _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ALY _Abbreviation_common ALY _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 106 _Mol_residue_sequence ; SRPKQLPDKWQHDLFDSGFG GGAGVETGGKLLVSNLDFGV SDADIQELFAEFGTLKKAAV HYDRSGRSLGTADVHFERKA DALKAMKQYNGVPLDGRPMN IQLVTS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 77 SER 2 78 ARG 3 79 PRO 4 80 LYS 5 81 GLN 6 82 LEU 7 83 PRO 8 84 ASP 9 85 LYS 10 86 TRP 11 87 GLN 12 88 HIS 13 89 ASP 14 90 LEU 15 91 PHE 16 92 ASP 17 93 SER 18 94 GLY 19 95 PHE 20 96 GLY 21 97 GLY 22 98 GLY 23 99 ALA 24 100 GLY 25 101 VAL 26 102 GLU 27 103 THR 28 104 GLY 29 105 GLY 30 106 LYS 31 107 LEU 32 108 LEU 33 109 VAL 34 110 SER 35 111 ASN 36 112 LEU 37 113 ASP 38 114 PHE 39 115 GLY 40 116 VAL 41 117 SER 42 118 ASP 43 119 ALA 44 120 ASP 45 121 ILE 46 122 GLN 47 123 GLU 48 124 LEU 49 125 PHE 50 126 ALA 51 127 GLU 52 128 PHE 53 129 GLY 54 130 THR 55 131 LEU 56 132 LYS 57 133 LYS 58 134 ALA 59 135 ALA 60 136 VAL 61 137 HIS 62 138 TYR 63 139 ASP 64 140 ARG 65 141 SER 66 142 GLY 67 143 ARG 68 144 SER 69 145 LEU 70 146 GLY 71 147 THR 72 148 ALA 73 149 ASP 74 150 VAL 75 151 HIS 76 152 PHE 77 153 GLU 78 154 ARG 79 155 LYS 80 156 ALA 81 157 ASP 82 158 ALA 83 159 LEU 84 160 LYS 85 161 ALA 86 162 MET 87 163 LYS 88 164 GLN 89 165 TYR 90 166 ASN 91 167 GLY 92 168 VAL 93 169 PRO 94 170 LEU 95 171 ASP 96 172 GLY 97 173 ARG 98 174 PRO 99 175 MET 100 176 ASN 101 177 ILE 102 178 GLN 103 179 LEU 104 180 VAL 105 181 THR 106 182 SER 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 1NO8 "Solution Structure Of The Nuclear Factor Aly Rbd Domain" 100.00 106 100.00 100.00 2.36e-70 PDB 3ULH "Crystal Structure Of A Rna Binding Domain Of Tho Complex Subunit 4 Protein (Thoc4) From Homo Sapiens At 2.54 A Resolution" 100.00 107 98.11 98.11 4.06e-68 EMBL CAB76383 "RNA and export factor binding protein 1-II [Mus musculus]" 72.64 163 100.00 100.00 7.49e-47 EMBL CAJ81934 "THO complex 4 [Xenopus (Silurana) tropicalis]" 100.00 260 98.11 99.06 4.38e-68 GB AAC53117 "ALY [Mus musculus]" 100.00 255 100.00 100.00 4.76e-70 GB AAD09608 "transcriptional coactivator ALY, partial [Homo sapiens]" 100.00 233 98.11 99.06 5.86e-69 GB AAH52302 "THO complex 4 [Homo sapiens]" 100.00 257 100.00 100.00 4.44e-70 GB AAH92013 "MGC84954 protein [Xenopus laevis]" 100.00 256 98.11 99.06 3.45e-68 GB AAI02385 "THO complex 4 [Bos taurus]" 100.00 257 100.00 100.00 5.01e-70 REF NP_001017027 "THO complex subunit 4 [Xenopus (Silurana) tropicalis]" 100.00 260 98.11 99.06 4.38e-68 REF NP_001030494 "THO complex subunit 4 [Bos taurus]" 100.00 257 100.00 100.00 5.01e-70 REF NP_001089314 "THO complex subunit 4-A [Xenopus laevis]" 100.00 256 98.11 99.06 3.45e-68 REF NP_001103072 "THO complex subunit 4 [Rattus norvegicus]" 89.62 189 100.00 100.00 1.39e-60 REF NP_001232343 "THO complex subunit 4 [Taeniopygia guttata]" 100.00 254 98.11 99.06 5.07e-68 SP B5FXN8 "RecName: Full=THO complex subunit 4; Short=Tho4; AltName: Full=Aly/REF export factor [Taeniopygia guttata]" 100.00 254 98.11 99.06 3.47e-68 SP O08583 "RecName: Full=THO complex subunit 4; Short=Tho4; AltName: Full=Ally of AML-1 and LEF-1; AltName: Full=Aly/REF export factor; Al" 100.00 255 100.00 100.00 4.76e-70 SP Q28FB9 "RecName: Full=THO complex subunit 4; Short=Tho4; AltName: Full=Aly/REF export factor [Xenopus (Silurana) tropicalis]" 100.00 260 98.11 99.06 4.38e-68 SP Q3T0I4 "RecName: Full=THO complex subunit 4; Short=Tho4; AltName: Full=Ally of AML-1 and LEF-1; AltName: Full=Aly/REF export factor; Al" 100.00 257 100.00 100.00 5.01e-70 SP Q58EA2 "RecName: Full=THO complex subunit 4-A; Short=Tho4-A; AltName: Full=Aly/REF export factor-A [Xenopus laevis]" 100.00 256 98.11 99.06 3.45e-68 TPG DAA18257 "TPA: THO complex subunit 4 [Bos taurus]" 100.00 257 100.00 100.00 5.01e-70 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 $ALY Mouse 10090 Eukaryota Metazoa Mus musculus nucleus ALY 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 $ALY 'recombinant technology' 'E. coli' Escherichia 'Escherichia coli' BL21(DE3) pet21a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ALY 0.5 mM [U-15N] Tris-HCl-d8 20 mM . NaCl 100 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ALY 0.5 mM '[U-15N; U-13C]' Tris-HCl-d8 20 mM . NaCl 100 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 2.1 loop_ _Task collection stop_ _Details Bruker save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version '1.8, 2.1' loop_ _Task processing stop_ _Details ; Delaglio, F., Grzesiek, S., Vuister, G.W., Guang, Z., Pfeifer, J. and Bax, A. (1995) J. Biomol. NMR 6, 277-293. ; save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version '1.8, 2.1' loop_ _Task processing stop_ _Details ; Delaglio, F., Grzesiek, S., Vuister, G.W., Guang, Z., Pfeifer, J. and Bax, A. (1995) J. Biomol. NMR 6, 277-293. ; save_ save_NMRVIEW _Saveframe_category software _Name NMRVIEW _Version 3 loop_ _Task 'data analysis' stop_ _Details 'Johnson, B.A. and Blevins, R.A. (1994) J. Biomol. NMR 4, 603-614' save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.5 loop_ _Task 'structure solution' stop_ _Details 'Gunter, P., Mumenthaler, C. and Wuthrich, K. (1997) J. Mol. Biol. 273, 283-298.' save_ save_AMBER _Saveframe_category software _Name AMBER _Version '6, 7' loop_ _Task refinement stop_ _Details ; Case, D.A., Pearlman, D.A., Caldwell, J.W., Cheatham III, T.E., Wang, J., Ross, W.S. Simmerling, C., Darden, T., Merz, K.M., Stanton, R.V., Cheng, A., Vincent, J.J. Crowley, M., Tsui, V., Gohlke, H., Radmer, R., et al. and Kollman, P.A. (1999) University of California, San Francisco. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated_NOESY' _Sample_label . save_ save_3D_13C-HMQC-NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-HMQC-NOESY' _Sample_label . save_ save_3D_15N/13C-NOESY-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N/13C-NOESY-HSQC' _Sample_label . save_ save_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CB_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CB _Sample_label . save_ save_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_C(CO)NH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH-TOCSY _Sample_label . save_ save_HC(CO)NH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HC(CO)NH-TOCSY _Sample_label . save_ save_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label . save_ save_CCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name CCH-COSY _Sample_label . save_ save_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_HNHB_14 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _Sample_label . save_ save_2D_TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label . save_ save_3D_13C-separated_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated_NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated_NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-HMQC-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N/13C-NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HC(CO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name CCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated_NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.05 n/a temperature 296 0.1 K 'ionic strength' 100 . mM pressure 1 . atm stop_ save_ save_sample_cond_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.05 n/a temperature 289 0.1 K 'ionic strength' 100 . mM pressure 1 . atm stop_ save_ save_sample_cond_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.9 0.05 n/a temperature 296 0.1 K 'ionic strength' 100 . mM pressure 1 . atm 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 . . . 1.0 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'ALY monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 ARG CA C 54.230 0.08 1 2 . 2 ARG HA H 4.690 0.02 1 3 . 2 ARG CD C 43.420 0.08 1 4 . 2 ARG HD3 H 3.210 0.02 1 5 . 2 ARG HD2 H 3.210 0.02 1 6 . 3 PRO CA C 63.189 0.08 1 7 . 3 PRO HA H 4.444 0.02 1 8 . 3 PRO C C 176.719 0.08 1 9 . 3 PRO CB C 32.228 0.08 1 10 . 3 PRO HB3 H 2.300 0.02 2 11 . 3 PRO CG C 27.470 0.08 1 12 . 3 PRO HG3 H 2.010 0.02 1 13 . 3 PRO CD C 50.710 0.08 1 14 . 3 PRO HD3 H 3.850 0.02 2 15 . 3 PRO HB2 H 1.890 0.02 2 16 . 3 PRO HG2 H 2.010 0.02 1 17 . 3 PRO HD2 H 3.610 0.02 2 18 . 4 LYS H H 8.463 0.02 1 19 . 4 LYS N N 121.916 0.07 1 20 . 4 LYS CA C 56.591 0.08 1 21 . 4 LYS HA H 4.217 0.02 1 22 . 4 LYS C C 176.464 0.08 1 23 . 4 LYS CB C 33.166 0.08 1 24 . 4 LYS HB3 H 1.790 0.02 2 25 . 4 LYS CG C 24.930 0.08 1 26 . 4 LYS HG3 H 1.460 0.02 2 27 . 4 LYS CD C 29.230 0.08 1 28 . 4 LYS HD3 H 1.940 0.02 1 29 . 4 LYS HE3 H 2.100 0.02 1 30 . 4 LYS HB2 H 1.750 0.02 2 31 . 4 LYS HG2 H 1.430 0.02 2 32 . 4 LYS HD2 H 1.940 0.02 1 33 . 4 LYS HE2 H 2.100 0.02 1 34 . 5 GLN H H 8.381 0.02 1 35 . 5 GLN N N 121.523 0.07 1 36 . 5 GLN CA C 55.552 0.08 1 37 . 5 GLN HA H 4.356 0.02 1 38 . 5 GLN C C 175.505 0.08 1 39 . 5 GLN CB C 29.991 0.08 1 40 . 5 GLN HB3 H 2.010 0.02 1 41 . 5 GLN CG C 33.770 0.08 1 42 . 5 GLN HG3 H 2.340 0.02 1 43 . 5 GLN NE2 N 112.656 0.07 1 44 . 5 GLN HE22 H 6.883 0.02 2 45 . 5 GLN HE21 H 7.577 0.02 2 46 . 5 GLN HB2 H 2.010 0.02 1 47 . 5 GLN HG2 H 2.340 0.02 1 48 . 6 LEU H H 8.388 0.02 1 49 . 6 LEU N N 125.414 0.07 1 50 . 6 LEU CA C 52.672 0.08 1 51 . 6 LEU HA H 4.595 0.02 1 52 . 6 LEU CB C 41.930 0.08 1 53 . 6 LEU HB3 H 1.600 0.02 2 54 . 6 LEU CG C 27.100 0.08 1 55 . 6 LEU CD1 C 23.100 0.08 2 56 . 6 LEU CD2 C 25.110 0.08 2 57 . 6 LEU HG H 1.650 0.02 1 58 . 6 LEU HB2 H 1.520 0.02 2 59 . 6 LEU HD1 H 0.860 0.02 1 60 . 6 LEU HD2 H 0.860 0.02 1 61 . 7 PRO CA C 63.243 0.08 1 62 . 7 PRO HA H 4.400 0.02 1 63 . 7 PRO C C 176.624 0.08 1 64 . 7 PRO CB C 32.414 0.08 1 65 . 7 PRO HB3 H 2.260 0.02 2 66 . 7 PRO CG C 27.430 0.08 1 67 . 7 PRO HG3 H 1.980 0.02 1 68 . 7 PRO CD C 50.710 0.08 1 69 . 7 PRO HD3 H 3.800 0.02 2 70 . 7 PRO HB2 H 1.880 0.02 2 71 . 7 PRO HG2 H 1.980 0.02 1 72 . 7 PRO HD2 H 3.580 0.02 2 73 . 8 ASP H H 8.359 0.02 1 74 . 8 ASP N N 120.349 0.07 1 75 . 8 ASP CA C 54.768 0.08 1 76 . 8 ASP HA H 4.500 0.02 1 77 . 8 ASP C C 176.628 0.08 1 78 . 8 ASP CB C 41.483 0.08 1 79 . 8 ASP HB3 H 2.580 0.02 1 80 . 8 ASP HB2 H 2.580 0.02 1 81 . 9 LYS H H 8.172 0.02 1 82 . 9 LYS N N 120.401 0.07 1 83 . 9 LYS CA C 56.826 0.08 1 84 . 9 LYS HA H 4.180 0.02 1 85 . 9 LYS C C 176.310 0.08 1 86 . 9 LYS CB C 32.843 0.08 1 87 . 9 LYS HB3 H 1.640 0.02 1 88 . 9 LYS CG C 24.460 0.08 1 89 . 9 LYS HG3 H 1.220 0.02 1 90 . 9 LYS CD C 29.000 0.08 1 91 . 9 LYS CE C 41.630 0.08 1 92 . 9 LYS HB2 H 1.640 0.02 1 93 . 9 LYS HG2 H 1.220 0.02 1 94 . 10 TRP H H 8.037 0.02 1 95 . 10 TRP N N 120.918 0.07 1 96 . 10 TRP CA C 57.389 0.08 1 97 . 10 TRP HA H 4.656 0.02 1 98 . 10 TRP C C 176.224 0.08 1 99 . 10 TRP CB C 29.730 0.08 1 100 . 10 TRP HB3 H 3.260 0.02 1 101 . 10 TRP CD1 C 127.420 0.08 1 102 . 10 TRP HD1 H 7.230 0.02 1 103 . 10 TRP NE1 N 129.435 0.07 1 104 . 10 TRP HE1 H 10.172 0.02 1 105 . 10 TRP CE3 C 121.003 0.08 1 106 . 10 TRP HE3 H 7.596 0.02 1 107 . 10 TRP CZ2 C 114.690 0.08 1 108 . 10 TRP HZ2 H 7.467 0.02 1 109 . 10 TRP CZ3 C 122.125 0.08 1 110 . 10 TRP HZ3 H 7.119 0.02 1 111 . 10 TRP CH2 C 124.740 0.08 1 112 . 10 TRP HH2 H 7.197 0.02 1 113 . 10 TRP HB2 H 3.260 0.02 1 114 . 11 GLN H H 8.002 0.02 1 115 . 11 GLN N N 121.462 0.07 1 116 . 11 GLN CA C 56.045 0.08 1 117 . 11 GLN HA H 4.167 0.02 1 118 . 11 GLN C C 177.303 0.08 1 119 . 11 GLN CB C 29.296 0.08 1 120 . 11 GLN HB3 H 1.930 0.02 2 121 . 11 GLN CG C 33.600 0.08 1 122 . 11 GLN HG3 H 2.060 0.02 2 123 . 11 GLN NE2 N 112.407 0.07 1 124 . 11 GLN HE22 H 6.806 0.02 2 125 . 11 GLN HE21 H 7.488 0.02 2 126 . 11 GLN HB2 H 1.800 0.02 2 127 . 11 GLN HG2 H 2.110 0.02 2 128 . 12 HIS H H 8.145 0.02 1 129 . 12 HIS N N 119.802 0.07 1 130 . 12 HIS CA C 56.336 0.08 1 131 . 12 HIS HA H 4.576 0.02 1 132 . 12 HIS C C 174.807 0.08 1 133 . 12 HIS CB C 30.178 0.08 1 134 . 12 HIS HB3 H 3.050 0.02 1 135 . 12 HIS CD2 C 120.200 0.08 1 136 . 12 HIS HD2 H 7.080 0.02 1 137 . 12 HIS CE1 C 137.640 0.08 1 138 . 12 HIS HE1 H 8.090 0.02 1 139 . 12 HIS HB2 H 3.150 0.02 1 140 . 13 ASP H H 8.371 0.02 1 141 . 13 ASP N N 120.838 0.07 1 142 . 13 ASP CA C 54.540 0.08 1 143 . 13 ASP HA H 4.532 0.02 1 144 . 13 ASP C C 176.224 0.08 1 145 . 13 ASP CB C 41.404 0.08 1 146 . 13 ASP HB3 H 2.610 0.02 1 147 . 13 ASP HB2 H 2.610 0.02 1 148 . 14 LEU H H 8.099 0.02 1 149 . 14 LEU N N 121.798 0.07 1 150 . 14 LEU CA C 55.566 0.08 1 151 . 14 LEU HA H 4.230 0.02 1 152 . 14 LEU C C 175.581 0.08 1 153 . 14 LEU CB C 42.586 0.08 1 154 . 14 LEU HB3 H 1.390 0.02 1 155 . 14 LEU CG C 26.890 0.08 1 156 . 14 LEU CD1 C 24.960 0.08 2 157 . 14 LEU CD2 C 23.060 0.08 2 158 . 14 LEU HG H 1.480 0.02 1 159 . 14 LEU HB2 H 1.470 0.02 1 160 . 14 LEU HD1 H 0.850 0.02 2 161 . 14 LEU HD2 H 0.770 0.02 2 162 . 15 PHE H H 8.154 0.02 1 163 . 15 PHE N N 119.887 0.07 1 164 . 15 PHE CA C 57.845 0.08 1 165 . 15 PHE HA H 4.570 0.02 1 166 . 15 PHE C C 175.614 0.08 1 167 . 15 PHE CB C 39.716 0.08 1 168 . 15 PHE HB3 H 3.130 0.02 1 169 . 15 PHE HB2 H 2.970 0.02 1 170 . 16 ASP H H 8.198 0.02 1 171 . 16 ASP N N 122.004 0.07 1 172 . 16 ASP CA C 54.267 0.08 1 173 . 16 ASP HA H 4.601 0.02 1 174 . 16 ASP C C 176.355 0.08 1 175 . 16 ASP CB C 41.729 0.08 1 176 . 16 ASP HB3 H 2.680 0.02 1 177 . 16 ASP HB2 H 2.680 0.02 1 178 . 17 SER H H 8.321 0.02 1 179 . 17 SER N N 117.127 0.07 1 180 . 17 SER CA C 59.128 0.08 1 181 . 17 SER HA H 4.331 0.02 1 182 . 17 SER C C 175.221 0.08 1 183 . 17 SER CB C 64.162 0.08 1 184 . 17 SER HB3 H 3.930 0.02 2 185 . 17 SER HB2 H 3.870 0.02 2 186 . 18 GLY H H 8.442 0.02 1 187 . 18 GLY N N 110.274 0.07 1 188 . 18 GLY CA C 45.401 0.08 1 189 . 18 GLY HA3 H 3.915 0.02 1 190 . 18 GLY C C 174.260 0.08 1 191 . 18 GLY HA2 H 3.915 0.02 1 192 . 19 PHE H H 8.114 0.02 1 193 . 19 PHE N N 120.138 0.07 1 194 . 19 PHE CA C 58.118 0.08 1 195 . 19 PHE HA H 4.595 0.02 1 196 . 19 PHE C C 176.649 0.08 1 197 . 19 PHE CB C 39.716 0.08 1 198 . 19 PHE HB3 H 3.170 0.02 1 199 . 19 PHE HD1 H 7.260 0.02 1 200 . 19 PHE HD2 H 7.260 0.02 1 201 . 19 PHE HB2 H 3.030 0.02 1 202 . 20 GLY H H 8.467 0.02 1 203 . 20 GLY N N 111.113 0.07 1 204 . 20 GLY CA C 45.538 0.08 1 205 . 20 GLY HA3 H 3.903 0.02 1 206 . 20 GLY C C 174.840 0.08 1 207 . 20 GLY HA2 H 3.903 0.02 1 208 . 21 GLY H H 8.042 0.02 1 209 . 21 GLY N N 108.551 0.07 1 210 . 21 GLY CA C 45.447 0.08 1 211 . 21 GLY HA3 H 3.947 0.02 1 212 . 21 GLY C C 174.764 0.08 1 213 . 21 GLY HA2 H 3.947 0.02 1 214 . 22 GLY H H 8.308 0.02 1 215 . 22 GLY N N 108.990 0.07 1 216 . 22 GLY CA C 45.242 0.08 1 217 . 22 GLY HA3 H 3.972 0.02 1 218 . 22 GLY C C 174.055 0.08 1 219 . 22 GLY HA2 H 3.972 0.02 1 220 . 23 ALA H H 8.286 0.02 1 221 . 23 ALA N N 123.685 0.07 1 222 . 23 ALA CA C 52.681 0.08 1 223 . 23 ALA HA H 4.343 0.02 1 224 . 23 ALA C C 178.350 0.08 1 225 . 23 ALA CB C 19.794 0.08 1 226 . 23 ALA HB H 1.420 0.02 1 227 . 24 GLY H H 8.430 0.02 1 228 . 24 GLY N N 108.300 0.07 1 229 . 24 GLY CA C 45.300 0.08 1 230 . 24 GLY HA3 H 3.947 0.02 1 231 . 24 GLY C C 174.044 0.08 1 232 . 24 GLY HA2 H 3.947 0.02 1 233 . 25 VAL H H 7.917 0.02 1 234 . 25 VAL N N 119.000 0.07 1 235 . 25 VAL CA C 62.061 0.08 1 236 . 25 VAL HA H 4.155 0.02 1 237 . 25 VAL C C 176.017 0.08 1 238 . 25 VAL CB C 33.301 0.08 1 239 . 25 VAL HB H 2.090 0.02 1 240 . 25 VAL CG1 C 20.430 0.08 2 241 . 25 VAL CG2 C 21.150 0.08 2 242 . 25 VAL HG2 H 0.920 0.02 2 243 . 25 VAL HG1 H 0.910 0.02 2 244 . 26 GLU H H 8.596 0.02 1 245 . 26 GLU N N 125.649 0.07 1 246 . 26 GLU CA C 56.084 0.08 1 247 . 26 GLU HA H 4.469 0.02 1 248 . 26 GLU C C 176.704 0.08 1 249 . 26 GLU CB C 30.979 0.08 1 250 . 26 GLU HB3 H 2.120 0.02 2 251 . 26 GLU CG C 36.760 0.08 1 252 . 26 GLU HG3 H 2.410 0.02 2 253 . 26 GLU HB2 H 2.100 0.02 2 254 . 26 GLU HG2 H 2.270 0.02 2 255 . 27 THR H H 8.368 0.02 1 256 . 27 THR N N 116.670 0.07 1 257 . 27 THR CA C 61.990 0.08 1 258 . 27 THR HA H 4.501 0.02 1 259 . 27 THR C C 176.058 0.08 1 260 . 27 THR CB C 70.318 0.08 1 261 . 27 THR HB H 4.450 0.02 1 262 . 27 THR CG2 C 21.770 0.08 1 263 . 27 THR HG2 H 1.260 0.02 1 264 . 28 GLY H H 9.174 0.02 1 265 . 28 GLY N N 112.674 0.07 1 266 . 28 GLY CA C 45.118 0.08 1 267 . 28 GLY HA3 H 4.205 0.02 2 268 . 28 GLY C C 173.150 0.08 1 269 . 28 GLY HA2 H 3.903 0.02 2 270 . 29 GLY H H 7.837 0.02 1 271 . 29 GLY N N 103.005 0.07 1 272 . 29 GLY CA C 45.578 0.08 1 273 . 29 GLY HA3 H 4.607 0.02 1 274 . 29 GLY C C 171.065 0.08 1 275 . 29 GLY HA2 H 3.261 0.02 1 276 . 30 LYS H H 9.044 0.02 1 277 . 30 LYS N N 126.369 0.07 1 278 . 30 LYS CA C 56.364 0.08 1 279 . 30 LYS HA H 4.714 0.02 1 280 . 30 LYS C C 173.445 0.08 1 281 . 30 LYS CB C 34.341 0.08 1 282 . 30 LYS HB3 H 1.630 0.02 1 283 . 30 LYS HG3 H 1.290 0.02 1 284 . 30 LYS CD C 26.700 0.08 1 285 . 30 LYS HD3 H 1.680 0.02 1 286 . 30 LYS CE C 43.650 0.08 1 287 . 30 LYS HE3 H 3.360 0.02 2 288 . 30 LYS HB2 H 1.630 0.02 1 289 . 30 LYS HG2 H 1.290 0.02 1 290 . 30 LYS HD2 H 1.680 0.02 1 291 . 30 LYS HE2 H 3.260 0.02 2 292 . 31 LEU H H 9.171 0.02 1 293 . 31 LEU N N 120.928 0.07 1 294 . 31 LEU CA C 52.444 0.08 1 295 . 31 LEU HA H 5.425 0.02 1 296 . 31 LEU C C 173.900 0.08 1 297 . 31 LEU CB C 44.450 0.08 1 298 . 31 LEU HB3 H 1.970 0.02 2 299 . 31 LEU CG C 27.000 0.08 1 300 . 31 LEU CD1 C 23.140 0.08 2 301 . 31 LEU CD2 C 20.880 0.08 2 302 . 31 LEU HG H 1.600 0.02 1 303 . 31 LEU HB2 H 1.120 0.02 2 304 . 31 LEU HD1 H 0.790 0.02 2 305 . 31 LEU HD2 H 0.810 0.02 2 306 . 32 LEU H H 9.158 0.02 1 307 . 32 LEU N N 125.673 0.07 1 308 . 32 LEU CA C 54.131 0.08 1 309 . 32 LEU HA H 5.155 0.02 1 310 . 32 LEU C C 175.995 0.08 1 311 . 32 LEU CB C 44.383 0.08 1 312 . 32 LEU HB3 H 1.720 0.02 2 313 . 32 LEU CG C 27.800 0.08 1 314 . 32 LEU CD1 C 23.340 0.08 1 315 . 32 LEU CD2 C 23.150 0.08 1 316 . 32 LEU HG H 1.450 0.02 1 317 . 32 LEU HB2 H 1.340 0.02 2 318 . 32 LEU HD1 H 0.990 0.02 1 319 . 32 LEU HD2 H 0.890 0.02 1 320 . 33 VAL H H 9.296 0.02 1 321 . 33 VAL N N 130.621 0.07 1 322 . 33 VAL CA C 61.002 0.08 1 323 . 33 VAL HA H 4.865 0.02 1 324 . 33 VAL C C 174.120 0.08 1 325 . 33 VAL CB C 33.381 0.08 1 326 . 33 VAL HB H 1.860 0.02 1 327 . 33 VAL CG1 C 22.100 0.08 1 328 . 33 VAL CG2 C 21.480 0.08 1 329 . 33 VAL HG2 H 0.710 0.02 1 330 . 33 VAL HG1 H 0.980 0.02 1 331 . 34 SER H H 9.771 0.02 1 332 . 34 SER N N 120.832 0.07 1 333 . 34 SER CA C 56.973 0.08 1 334 . 34 SER HA H 5.425 0.02 1 335 . 34 SER C C 173.227 0.08 1 336 . 34 SER CB C 65.986 0.08 1 337 . 34 SER HB3 H 4.030 0.02 2 338 . 34 SER HB2 H 3.820 0.02 2 339 . 35 ASN H H 8.758 0.02 1 340 . 35 ASN N N 116.174 0.07 1 341 . 35 ASN CA C 54.114 0.08 1 342 . 35 ASN HA H 4.500 0.02 1 343 . 35 ASN C C 176.802 0.08 1 344 . 35 ASN CB C 39.663 0.08 1 345 . 35 ASN HB3 H 3.860 0.02 1 346 . 35 ASN ND2 N 112.946 0.07 1 347 . 35 ASN HD21 H 8.420 0.02 1 348 . 35 ASN HD22 H 7.324 0.02 1 349 . 35 ASN HB2 H 2.410 0.02 1 350 . 36 LEU H H 8.321 0.02 1 351 . 36 LEU N N 117.549 0.07 1 352 . 36 LEU CA C 53.948 0.08 1 353 . 36 LEU HA H 4.148 0.02 1 354 . 36 LEU C C 177.783 0.08 1 355 . 36 LEU CB C 43.207 0.08 1 356 . 36 LEU HB3 H 1.200 0.02 2 357 . 36 LEU CG C 26.610 0.08 1 358 . 36 LEU CD1 C 26.140 0.08 1 359 . 36 LEU CD2 C 22.740 0.08 1 360 . 36 LEU HG H 1.240 0.02 1 361 . 36 LEU HB2 H 1.160 0.02 2 362 . 36 LEU HD1 H 0.390 0.02 1 363 . 36 LEU HD2 H 0.730 0.02 1 364 . 37 ASP H H 9.472 0.02 1 365 . 37 ASP N N 121.988 0.07 1 366 . 37 ASP CA C 54.643 0.08 1 367 . 37 ASP HA H 4.171 0.02 1 368 . 37 ASP C C 177.990 0.08 1 369 . 37 ASP CB C 43.522 0.08 1 370 . 37 ASP HB3 H 2.610 0.02 2 371 . 37 ASP HB2 H 2.580 0.02 2 372 . 38 PHE H H 8.192 0.02 1 373 . 38 PHE N N 123.670 0.07 1 374 . 38 PHE CA C 59.372 0.08 1 375 . 38 PHE HA H 4.381 0.02 1 376 . 38 PHE C C 175.701 0.08 1 377 . 38 PHE CB C 38.323 0.08 1 378 . 38 PHE HB3 H 3.410 0.02 1 379 . 38 PHE CD1 C 131.850 0.08 1 380 . 38 PHE HD1 H 7.270 0.02 1 381 . 38 PHE CD2 C 131.850 0.08 1 382 . 38 PHE HD2 H 7.270 0.02 1 383 . 38 PHE CE1 C 131.910 0.08 1 384 . 38 PHE HE1 H 7.530 0.02 1 385 . 38 PHE CE2 C 131.910 0.08 1 386 . 38 PHE HE2 H 7.530 0.02 1 387 . 38 PHE HZ H 7.310 0.02 1 388 . 38 PHE HB2 H 3.050 0.02 1 389 . 39 GLY H H 8.887 0.02 1 390 . 39 GLY N N 107.459 0.07 1 391 . 39 GLY CA C 45.014 0.08 1 392 . 39 GLY HA3 H 4.243 0.02 1 393 . 39 GLY C C 174.764 0.08 1 394 . 39 GLY HA2 H 3.686 0.02 1 395 . 40 VAL H H 7.221 0.02 1 396 . 40 VAL N N 122.496 0.07 1 397 . 40 VAL CA C 64.173 0.08 1 398 . 40 VAL HA H 4.004 0.02 1 399 . 40 VAL C C 176.159 0.08 1 400 . 40 VAL CB C 31.500 0.08 1 401 . 40 VAL HB H 2.010 0.02 1 402 . 40 VAL CG1 C 21.930 0.08 1 403 . 40 VAL CG2 C 22.700 0.08 1 404 . 40 VAL HG2 H 1.070 0.02 1 405 . 40 VAL HG1 H 0.970 0.02 1 406 . 41 SER H H 9.481 0.02 1 407 . 41 SER N N 126.509 0.07 1 408 . 41 SER CA C 56.875 0.08 1 409 . 41 SER HA H 4.972 0.02 1 410 . 41 SER C C 175.112 0.08 1 411 . 41 SER CB C 67.945 0.08 1 412 . 41 SER HB3 H 4.400 0.02 1 413 . 41 SER HB2 H 4.040 0.02 1 414 . 42 ASP H H 8.722 0.02 1 415 . 42 ASP N N 120.315 0.07 1 416 . 42 ASP CA C 58.246 0.08 1 417 . 42 ASP HA H 4.084 0.02 1 418 . 42 ASP C C 178.023 0.08 1 419 . 42 ASP CB C 40.464 0.08 1 420 . 42 ASP HB3 H 2.860 0.02 1 421 . 42 ASP HB2 H 2.760 0.02 1 422 . 43 ALA H H 8.233 0.02 1 423 . 43 ALA N N 120.162 0.07 1 424 . 43 ALA CA C 55.034 0.08 1 425 . 43 ALA HA H 4.098 0.02 1 426 . 43 ALA C C 180.290 0.08 1 427 . 43 ALA CB C 18.781 0.08 1 428 . 43 ALA HB H 1.380 0.02 1 429 . 44 ASP H H 7.568 0.02 1 430 . 44 ASP N N 117.938 0.07 1 431 . 44 ASP CA C 57.376 0.08 1 432 . 44 ASP HA H 4.368 0.02 1 433 . 44 ASP C C 178.971 0.08 1 434 . 44 ASP CB C 41.827 0.08 1 435 . 44 ASP HB3 H 3.170 0.02 1 436 . 44 ASP HB2 H 2.620 0.02 1 437 . 45 ILE H H 7.606 0.02 1 438 . 45 ILE N N 117.656 0.07 1 439 . 45 ILE CA C 62.033 0.08 1 440 . 45 ILE HA H 3.972 0.02 1 441 . 45 ILE C C 177.718 0.08 1 442 . 45 ILE CB C 36.465 0.08 1 443 . 45 ILE HB H 2.050 0.02 1 444 . 45 ILE CG2 C 18.720 0.08 1 445 . 45 ILE CG1 C 26.800 0.08 1 446 . 45 ILE HG13 H 1.540 0.02 2 447 . 45 ILE CD1 C 10.320 0.08 1 448 . 45 ILE HG12 H 1.110 0.02 2 449 . 45 ILE HD1 H 0.560 0.02 1 450 . 45 ILE HG2 H 0.760 0.02 1 451 . 46 GLN H H 8.587 0.02 1 452 . 46 GLN N N 121.388 0.07 1 453 . 46 GLN CA C 59.817 0.08 1 454 . 46 GLN HA H 3.689 0.02 1 455 . 46 GLN C C 177.271 0.08 1 456 . 46 GLN CB C 27.898 0.08 1 457 . 46 GLN HB3 H 2.230 0.02 1 458 . 46 GLN CG C 34.020 0.08 1 459 . 46 GLN HG3 H 2.380 0.02 1 460 . 46 GLN NE2 N 110.302 0.07 1 461 . 46 GLN HE22 H 6.818 0.02 2 462 . 46 GLN HE21 H 7.459 0.02 2 463 . 46 GLN HB2 H 2.160 0.02 1 464 . 46 GLN HG2 H 2.380 0.02 1 465 . 47 GLU H H 7.870 0.02 1 466 . 47 GLU N N 116.098 0.07 1 467 . 47 GLU CA C 59.023 0.08 1 468 . 47 GLU HA H 4.094 0.02 1 469 . 47 GLU C C 179.004 0.08 1 470 . 47 GLU CB C 29.628 0.08 1 471 . 47 GLU HB3 H 2.140 0.02 2 472 . 47 GLU CG C 36.220 0.08 1 473 . 47 GLU HG3 H 2.380 0.02 2 474 . 47 GLU HB2 H 2.080 0.02 2 475 . 47 GLU HG2 H 2.310 0.02 2 476 . 48 LEU H H 7.561 0.02 1 477 . 48 LEU N N 118.035 0.07 1 478 . 48 LEU CA C 57.525 0.08 1 479 . 48 LEU HA H 4.054 0.02 1 480 . 48 LEU C C 179.350 0.08 1 481 . 48 LEU CB C 43.502 0.08 1 482 . 48 LEU HB3 H 1.550 0.02 1 483 . 48 LEU CG C 26.630 0.08 1 484 . 48 LEU CD1 C 24.380 0.08 1 485 . 48 LEU CD2 C 24.650 0.08 1 486 . 48 LEU HG H 1.110 0.02 1 487 . 48 LEU HB2 H 1.080 0.02 1 488 . 48 LEU HD1 H 0.310 0.02 1 489 . 48 LEU HD2 H 0.540 0.02 1 490 . 49 PHE H H 7.973 0.02 1 491 . 49 PHE N N 112.618 0.07 1 492 . 49 PHE CA C 61.361 0.08 1 493 . 49 PHE HA H 4.928 0.02 1 494 . 49 PHE C C 176.846 0.08 1 495 . 49 PHE CB C 39.975 0.08 1 496 . 49 PHE HB3 H 3.450 0.02 1 497 . 49 PHE CD1 C 132.260 0.08 1 498 . 49 PHE HD1 H 7.690 0.02 1 499 . 49 PHE CD2 C 132.260 0.08 1 500 . 49 PHE HD2 H 7.690 0.02 1 501 . 49 PHE CE1 C 130.460 0.08 1 502 . 49 PHE HE1 H 7.040 0.02 1 503 . 49 PHE CE2 C 130.460 0.08 1 504 . 49 PHE HE2 H 7.040 0.02 1 505 . 49 PHE CZ C 129.510 0.08 1 506 . 49 PHE HZ H 7.140 0.02 1 507 . 49 PHE HB2 H 2.810 0.02 1 508 . 50 ALA H H 8.381 0.02 1 509 . 50 ALA N N 122.279 0.07 1 510 . 50 ALA CA C 55.060 0.08 1 511 . 50 ALA HA H 4.419 0.02 1 512 . 50 ALA C C 179.233 0.08 1 513 . 50 ALA CB C 18.444 0.08 1 514 . 50 ALA HB H 1.580 0.02 1 515 . 51 GLU H H 7.497 0.02 1 516 . 51 GLU N N 113.114 0.07 1 517 . 51 GLU CA C 57.849 0.08 1 518 . 51 GLU HA H 3.997 0.02 1 519 . 51 GLU C C 177.216 0.08 1 520 . 51 GLU CB C 29.778 0.08 1 521 . 51 GLU HB3 H 1.810 0.02 2 522 . 51 GLU CG C 35.100 0.08 1 523 . 51 GLU HG3 H 1.730 0.02 2 524 . 51 GLU HB2 H 1.610 0.02 2 525 . 51 GLU HG2 H 1.400 0.02 2 526 . 52 PHE H H 7.684 0.02 1 527 . 52 PHE N N 115.712 0.07 1 528 . 52 PHE CA C 59.941 0.08 1 529 . 52 PHE HA H 4.305 0.02 1 530 . 52 PHE C C 174.633 0.08 1 531 . 52 PHE CB C 39.697 0.08 1 532 . 52 PHE HB3 H 3.270 0.02 1 533 . 52 PHE CD1 C 131.890 0.08 1 534 . 52 PHE HD1 H 7.580 0.02 1 535 . 52 PHE CD2 C 131.890 0.08 1 536 . 52 PHE HD2 H 7.580 0.02 1 537 . 52 PHE CE1 C 129.600 0.08 1 538 . 52 PHE HE1 H 7.210 0.02 1 539 . 52 PHE CE2 C 129.600 0.08 1 540 . 52 PHE HE2 H 7.210 0.02 1 541 . 52 PHE CZ C 129.410 0.08 1 542 . 52 PHE HZ H 6.850 0.02 1 543 . 52 PHE HB2 H 3.140 0.02 1 544 . 53 GLY H H 7.525 0.02 1 545 . 53 GLY N N 104.934 0.07 1 546 . 53 GLY CA C 44.808 0.08 1 547 . 53 GLY HA3 H 4.834 0.02 1 548 . 53 GLY C C 172.093 0.08 1 549 . 53 GLY HA2 H 3.890 0.02 1 550 . 54 THR H H 8.223 0.02 1 551 . 54 THR N N 113.086 0.07 1 552 . 54 THR CA C 64.249 0.08 1 553 . 54 THR HA H 4.150 0.02 1 554 . 54 THR C C 175.439 0.08 1 555 . 54 THR CB C 69.566 0.08 1 556 . 54 THR HB H 4.098 0.02 1 557 . 54 THR CG2 C 22.490 0.08 1 558 . 54 THR HG2 H 1.230 0.02 1 559 . 55 LEU H H 9.036 0.02 1 560 . 55 LEU N N 129.382 0.07 1 561 . 55 LEU CA C 54.306 0.08 1 562 . 55 LEU HA H 4.406 0.02 1 563 . 55 LEU C C 177.293 0.08 1 564 . 55 LEU CB C 43.599 0.08 1 565 . 55 LEU HB3 H 1.720 0.02 1 566 . 55 LEU CG C 26.570 0.08 1 567 . 55 LEU CD1 C 26.080 0.08 1 568 . 55 LEU CD2 C 24.200 0.08 1 569 . 55 LEU HG H 1.570 0.02 1 570 . 55 LEU HB2 H 1.020 0.02 1 571 . 55 LEU HD1 H 0.740 0.02 1 572 . 55 LEU HD2 H -0.013 0.02 1 573 . 56 LYS H H 9.051 0.02 1 574 . 56 LYS N N 122.117 0.07 1 575 . 56 LYS CA C 56.317 0.08 1 576 . 56 LYS HA H 4.400 0.02 1 577 . 56 LYS C C 176.464 0.08 1 578 . 56 LYS CB C 33.371 0.08 1 579 . 56 LYS HB3 H 1.710 0.02 2 580 . 56 LYS CG C 24.380 0.08 1 581 . 56 LYS HG3 H 1.500 0.02 1 582 . 56 LYS CD C 29.500 0.08 1 583 . 56 LYS HE3 H 2.890 0.02 1 584 . 56 LYS HB2 H 1.340 0.02 2 585 . 56 LYS HG2 H 1.500 0.02 1 586 . 56 LYS HE2 H 2.890 0.02 1 587 . 57 LYS H H 7.477 0.02 1 588 . 57 LYS N N 117.572 0.07 1 589 . 57 LYS CA C 56.604 0.08 1 590 . 57 LYS HA H 4.268 0.02 1 591 . 57 LYS C C 173.663 0.08 1 592 . 57 LYS CB C 35.916 0.08 1 593 . 57 LYS HB3 H 1.690 0.02 2 594 . 57 LYS CG C 24.710 0.08 1 595 . 57 LYS HG3 H 1.430 0.02 2 596 . 57 LYS CD C 27.480 0.08 1 597 . 57 LYS HD3 H 1.630 0.02 2 598 . 57 LYS HE3 H 3.130 0.02 2 599 . 57 LYS HB2 H 1.260 0.02 2 600 . 57 LYS HG2 H 1.040 0.02 2 601 . 57 LYS HD2 H 1.490 0.02 2 602 . 57 LYS HE2 H 2.920 0.02 2 603 . 58 ALA H H 8.612 0.02 1 604 . 58 ALA N N 128.631 0.07 1 605 . 58 ALA CA C 51.922 0.08 1 606 . 58 ALA HA H 4.953 0.02 1 607 . 58 ALA C C 174.092 0.08 1 608 . 58 ALA CB C 19.784 0.08 1 609 . 58 ALA HB H 1.210 0.02 1 610 . 59 ALA H H 8.383 0.02 1 611 . 59 ALA N N 124.413 0.07 1 612 . 59 ALA CA C 51.420 0.08 1 613 . 59 ALA HA H 4.758 0.02 1 614 . 59 ALA C C 174.080 0.08 1 615 . 59 ALA CB C 22.700 0.08 1 616 . 59 ALA HB H 1.320 0.02 1 617 . 60 VAL H H 8.319 0.02 1 618 . 60 VAL N N 119.041 0.07 1 619 . 60 VAL CA C 59.510 0.08 1 620 . 60 VAL HA H 3.730 0.02 1 621 . 60 VAL CB C 33.500 0.08 1 622 . 60 VAL HB H 1.920 0.02 1 623 . 60 VAL CG1 C 20.700 0.08 1 624 . 60 VAL CG2 C 22.990 0.08 1 625 . 60 VAL HG2 H 0.710 0.02 1 626 . 60 VAL HG1 H 0.460 0.02 1 627 . 61 HIS H H 8.660 0.02 1 628 . 61 HIS N N 121.436 0.07 1 629 . 61 HIS CE1 C 138.990 0.08 1 630 . 61 HIS HE1 H 7.780 0.02 1 631 . 62 TYR H H 8.847 0.02 1 632 . 62 TYR N N 125.185 0.07 1 633 . 62 TYR CA C 62.630 0.08 1 634 . 62 TYR HA H 5.000 0.02 1 635 . 62 TYR C C 175.832 0.08 1 636 . 62 TYR CB C 34.583 0.08 1 637 . 62 TYR HB3 H 3.450 0.02 2 638 . 62 TYR CD1 C 133.380 0.08 1 639 . 62 TYR HD1 H 6.930 0.02 1 640 . 62 TYR CD2 C 133.380 0.08 1 641 . 62 TYR HD2 H 6.930 0.02 1 642 . 62 TYR CE1 C 117.920 0.08 1 643 . 62 TYR HE1 H 6.890 0.02 1 644 . 62 TYR CE2 C 117.920 0.08 1 645 . 62 TYR HE2 H 6.890 0.02 1 646 . 62 TYR HB2 H 2.680 0.02 2 647 . 63 ASP H H 8.663 0.02 1 648 . 63 ASP N N 121.436 0.07 1 649 . 63 ASP CA C 54.460 0.08 1 650 . 63 ASP HA H 4.563 0.02 1 651 . 63 ASP C C 174.740 0.08 1 652 . 63 ASP CB C 41.799 0.08 1 653 . 63 ASP HB3 H 3.140 0.02 2 654 . 63 ASP HB2 H 2.690 0.02 2 655 . 64 ARG H H 8.345 0.02 1 656 . 64 ARG N N 124.927 0.07 1 657 . 64 ARG CA C 52.520 0.08 1 658 . 64 ARG HA H 3.746 0.02 1 659 . 64 ARG HB3 H 1.940 0.02 2 660 . 64 ARG HG3 H 1.560 0.02 2 661 . 64 ARG CD C 43.400 0.08 1 662 . 64 ARG HD3 H 3.100 0.02 1 663 . 64 ARG NE N 85.560 0.07 1 664 . 64 ARG HE H 7.300 0.02 1 665 . 64 ARG HB2 H 1.830 0.02 2 666 . 64 ARG HG2 H 1.500 0.02 2 667 . 64 ARG HD2 H 3.100 0.02 1 668 . 65 SER H H 8.393 0.02 1 669 . 65 SER N N 115.374 0.07 1 670 . 65 SER CA C 58.587 0.08 1 671 . 65 SER HA H 4.603 0.02 1 672 . 65 SER C C 174.535 0.08 1 673 . 65 SER CB C 64.227 0.08 1 674 . 65 SER HB3 H 3.985 0.02 1 675 . 65 SER HB2 H 3.985 0.02 1 676 . 66 GLY H H 8.208 0.02 1 677 . 66 GLY N N 109.977 0.07 1 678 . 66 GLY CA C 45.472 0.08 1 679 . 66 GLY HA3 H 4.211 0.02 1 680 . 66 GLY C C 173.673 0.08 1 681 . 66 GLY HA2 H 3.639 0.02 1 682 . 67 ARG H H 8.312 0.02 1 683 . 67 ARG N N 122.679 0.07 1 684 . 67 ARG CA C 55.259 0.08 1 685 . 67 ARG HA H 4.544 0.02 1 686 . 67 ARG C C 176.268 0.08 1 687 . 67 ARG CB C 30.926 0.08 1 688 . 67 ARG HB3 H 1.870 0.02 2 689 . 67 ARG CG C 27.490 0.08 1 690 . 67 ARG HG3 H 1.620 0.02 1 691 . 67 ARG CD C 43.220 0.08 1 692 . 67 ARG HD3 H 2.740 0.02 1 693 . 67 ARG NE N 84.890 0.07 1 694 . 67 ARG HE H 7.230 0.02 1 695 . 67 ARG HB2 H 1.820 0.02 2 696 . 67 ARG HG2 H 1.620 0.02 1 697 . 67 ARG HD2 H 2.740 0.02 1 698 . 68 SER H H 8.905 0.02 1 699 . 68 SER N N 118.969 0.07 1 700 . 68 SER CA C 58.298 0.08 1 701 . 68 SER HA H 4.092 0.02 1 702 . 68 SER CB C 63.750 0.08 1 703 . 68 SER HB3 H 3.870 0.02 1 704 . 68 SER HB2 H 3.870 0.02 1 705 . 69 LEU H H 8.547 0.02 1 706 . 69 LEU N N 117.916 0.07 1 707 . 69 LEU CA C 54.981 0.08 1 708 . 69 LEU HA H 4.425 0.02 1 709 . 69 LEU C C 179.200 0.08 1 710 . 69 LEU CB C 42.555 0.08 1 711 . 69 LEU HB3 H 1.740 0.02 2 712 . 69 LEU CD1 C 23.460 0.08 2 713 . 69 LEU HB2 H 1.580 0.02 2 714 . 69 LEU HD1 H 0.970 0.02 2 715 . 69 LEU HD2 H 0.780 0.02 2 716 . 70 GLY H H 9.661 0.02 1 717 . 70 GLY N N 109.763 0.07 1 718 . 70 GLY CA C 46.169 0.08 1 719 . 70 GLY HA3 H 4.104 0.02 1 720 . 70 GLY C C 172.158 0.08 1 721 . 70 GLY HA2 H 3.488 0.02 1 722 . 71 THR H H 7.006 0.02 1 723 . 71 THR N N 106.772 0.07 1 724 . 71 THR CA C 58.310 0.08 1 725 . 71 THR HA H 5.425 0.02 1 726 . 71 THR CB C 72.560 0.08 1 727 . 71 THR HB H 4.170 0.02 1 728 . 71 THR CG2 C 21.680 0.08 1 729 . 71 THR HG2 H 1.110 0.02 1 730 . 72 ALA H H 9.049 0.02 1 731 . 72 ALA N N 120.958 0.07 1 732 . 72 ALA HA H 4.780 0.02 1 733 . 72 ALA HB H 1.170 0.02 1 734 . 73 ASP H H 9.120 0.02 1 735 . 73 ASP CA C 53.340 0.08 1 736 . 73 ASP HA H 5.160 0.02 1 737 . 73 ASP HB3 H 2.860 0.02 2 738 . 73 ASP HB2 H 2.130 0.02 2 739 . 74 VAL H H 8.110 0.02 1 740 . 74 VAL CA C 61.831 0.08 1 741 . 74 VAL HA H 4.261 0.02 1 742 . 74 VAL C C 173.891 0.08 1 743 . 74 VAL CB C 34.133 0.08 1 744 . 74 VAL HB H 1.460 0.02 1 745 . 74 VAL CG1 C 22.580 0.08 1 746 . 74 VAL CG2 C 21.050 0.08 1 747 . 74 VAL HG2 H 0.160 0.02 1 748 . 74 VAL HG1 H 0.210 0.02 1 749 . 75 HIS H H 9.218 0.02 1 750 . 75 HIS N N 126.793 0.07 1 751 . 75 HIS CA C 52.549 0.08 1 752 . 75 HIS HA H 5.633 0.02 1 753 . 75 HIS C C 174.720 0.08 1 754 . 75 HIS CB C 34.283 0.08 1 755 . 75 HIS HB3 H 3.080 0.02 1 756 . 75 HIS CD2 C 115.170 0.08 1 757 . 75 HIS HD2 H 6.880 0.02 1 758 . 75 HIS CE1 C 131.550 0.08 1 759 . 75 HIS HE1 H 7.540 0.02 1 760 . 75 HIS HB2 H 2.970 0.02 1 761 . 76 PHE H H 9.625 0.02 1 762 . 76 PHE N N 124.347 0.07 1 763 . 76 PHE CA C 58.098 0.08 1 764 . 76 PHE HA H 4.953 0.02 1 765 . 76 PHE C C 176.301 0.08 1 766 . 76 PHE CB C 41.799 0.08 1 767 . 76 PHE HB3 H 2.720 0.02 1 768 . 76 PHE CD1 C 131.450 0.08 1 769 . 76 PHE HD1 H 7.120 0.02 1 770 . 76 PHE CD2 C 131.450 0.08 1 771 . 76 PHE HD2 H 7.120 0.02 1 772 . 76 PHE CE1 C 130.860 0.08 1 773 . 76 PHE HE1 H 7.560 0.02 1 774 . 76 PHE CE2 C 130.860 0.08 1 775 . 76 PHE HE2 H 7.560 0.02 1 776 . 76 PHE CZ C 133.510 0.08 1 777 . 76 PHE HZ H 7.180 0.02 1 778 . 76 PHE HB2 H 3.830 0.02 1 779 . 77 GLU H H 8.318 0.02 1 780 . 77 GLU N N 122.357 0.07 1 781 . 77 GLU CA C 59.418 0.08 1 782 . 77 GLU HA H 4.035 0.02 1 783 . 77 GLU C C 176.377 0.08 1 784 . 77 GLU CB C 30.494 0.08 1 785 . 77 GLU HB3 H 2.210 0.02 2 786 . 77 GLU CG C 36.630 0.08 1 787 . 77 GLU HG3 H 2.270 0.02 2 788 . 77 GLU HB2 H 1.980 0.02 2 789 . 77 GLU HG2 H 2.160 0.02 2 790 . 78 ARG H H 9.271 0.02 1 791 . 78 ARG N N 115.278 0.07 1 792 . 78 ARG CA C 54.089 0.08 1 793 . 78 ARG HA H 4.815 0.02 1 794 . 78 ARG C C 177.020 0.08 1 795 . 78 ARG CB C 31.528 0.08 1 796 . 78 ARG HB3 H 1.920 0.02 2 797 . 78 ARG HG3 H 1.650 0.02 1 798 . 78 ARG CD C 43.520 0.08 1 799 . 78 ARG HD3 H 3.260 0.02 1 800 . 78 ARG NE N 84.700 0.07 1 801 . 78 ARG HE H 7.550 0.02 1 802 . 78 ARG HB2 H 1.880 0.02 2 803 . 78 ARG HG2 H 1.650 0.02 1 804 . 78 ARG HD2 H 3.260 0.02 1 805 . 79 LYS H H 9.390 0.02 1 806 . 79 LYS N N 128.172 0.07 1 807 . 79 LYS CA C 60.539 0.08 1 808 . 79 LYS HA H 4.809 0.02 1 809 . 79 LYS C C 177.936 0.08 1 810 . 79 LYS CB C 32.024 0.08 1 811 . 79 LYS HB3 H 1.830 0.02 1 812 . 79 LYS CG C 24.950 0.08 1 813 . 79 LYS HG3 H 1.330 0.02 1 814 . 79 LYS CD C 28.910 0.08 1 815 . 79 LYS HD3 H 2.120 0.02 1 816 . 79 LYS CE C 41.800 0.08 1 817 . 79 LYS HE3 H 3.483 0.02 1 818 . 79 LYS HB2 H 1.830 0.02 1 819 . 79 LYS HG2 H 1.330 0.02 1 820 . 79 LYS HD2 H 2.120 0.02 1 821 . 79 LYS HE2 H 3.483 0.02 1 822 . 80 ALA H H 9.136 0.02 1 823 . 80 ALA N N 117.676 0.07 1 824 . 80 ALA CA C 55.244 0.08 1 825 . 80 ALA HA H 3.947 0.02 1 826 . 80 ALA C C 180.127 0.08 1 827 . 80 ALA CB C 18.992 0.08 1 828 . 80 ALA HB H 1.370 0.02 1 829 . 81 ASP H H 6.817 0.02 1 830 . 81 ASP N N 118.228 0.07 1 831 . 81 ASP CA C 56.729 0.08 1 832 . 81 ASP HA H 4.299 0.02 1 833 . 81 ASP C C 176.390 0.08 1 834 . 81 ASP CB C 40.533 0.08 1 835 . 81 ASP HB3 H 2.660 0.02 1 836 . 81 ASP HB2 H 2.380 0.02 1 837 . 82 ALA H H 6.719 0.02 1 838 . 82 ALA N N 120.993 0.07 1 839 . 82 ALA CA C 54.360 0.08 1 840 . 82 ALA HA H 3.280 0.02 1 841 . 82 ALA C C 179.037 0.08 1 842 . 82 ALA CB C 17.867 0.08 1 843 . 82 ALA HB H 1.330 0.02 1 844 . 83 LEU H H 7.856 0.02 1 845 . 83 LEU N N 115.995 0.07 1 846 . 83 LEU CA C 57.999 0.08 1 847 . 83 LEU HA H 3.909 0.02 1 848 . 83 LEU C C 179.745 0.08 1 849 . 83 LEU CB C 41.354 0.08 1 850 . 83 LEU HB3 H 1.740 0.02 1 851 . 83 LEU CG C 27.080 0.08 1 852 . 83 LEU CD1 C 23.140 0.08 2 853 . 83 LEU CD2 C 25.180 0.08 2 854 . 83 LEU HG H 1.710 0.02 1 855 . 83 LEU HB2 H 1.430 0.02 1 856 . 83 LEU HD1 H 0.850 0.02 1 857 . 83 LEU HD2 H 0.850 0.02 1 858 . 84 LYS H H 7.419 0.02 1 859 . 84 LYS N N 120.405 0.07 1 860 . 84 LYS CA C 59.617 0.08 1 861 . 84 LYS HA H 3.897 0.02 1 862 . 84 LYS C C 178.252 0.08 1 863 . 84 LYS CB C 32.851 0.08 1 864 . 84 LYS HB3 H 1.940 0.02 2 865 . 84 LYS CG C 25.240 0.08 1 866 . 84 LYS HG3 H 1.640 0.02 1 867 . 84 LYS CD C 29.510 0.08 1 868 . 84 LYS HD3 H 1.510 0.02 1 869 . 84 LYS CE C 42.350 0.08 1 870 . 84 LYS HE3 H 3.070 0.02 1 871 . 84 LYS HB2 H 1.900 0.02 2 872 . 84 LYS HG2 H 1.640 0.02 1 873 . 84 LYS HD2 H 1.510 0.02 1 874 . 84 LYS HE2 H 3.070 0.02 1 875 . 85 ALA H H 7.548 0.02 1 876 . 85 ALA N N 122.203 0.07 1 877 . 85 ALA CA C 54.532 0.08 1 878 . 85 ALA HA H 2.371 0.02 1 879 . 85 ALA C C 178.884 0.08 1 880 . 85 ALA CB C 19.898 0.08 1 881 . 85 ALA HB H 1.120 0.02 1 882 . 86 MET H H 8.118 0.02 1 883 . 86 MET N N 116.104 0.07 1 884 . 86 MET CA C 59.617 0.08 1 885 . 86 MET HA H 3.840 0.02 1 886 . 86 MET C C 177.176 0.08 1 887 . 86 MET CB C 33.135 0.08 1 888 . 86 MET HB3 H 2.210 0.02 1 889 . 86 MET CG C 31.690 0.08 1 890 . 86 MET HG3 H 2.190 0.02 1 891 . 86 MET CE C 17.460 0.08 1 892 . 86 MET HB2 H 2.210 0.02 1 893 . 86 MET HG2 H 2.440 0.02 1 894 . 86 MET HE H 2.110 0.02 1 895 . 87 LYS H H 7.866 0.02 1 896 . 87 LYS N N 117.814 0.07 1 897 . 87 LYS CA C 58.820 0.08 1 898 . 87 LYS HA H 4.029 0.02 1 899 . 87 LYS C C 178.806 0.08 1 900 . 87 LYS CB C 32.650 0.08 1 901 . 87 LYS HB3 H 1.910 0.02 1 902 . 87 LYS CG C 24.940 0.08 1 903 . 87 LYS HG3 H 1.490 0.02 2 904 . 87 LYS CD C 29.280 0.08 1 905 . 87 LYS HD3 H 1.680 0.02 1 906 . 87 LYS CE C 42.110 0.08 1 907 . 87 LYS HE3 H 2.940 0.02 1 908 . 87 LYS HB2 H 1.910 0.02 1 909 . 87 LYS HG2 H 1.440 0.02 2 910 . 87 LYS HD2 H 1.680 0.02 1 911 . 87 LYS HE2 H 2.940 0.02 1 912 . 88 GLN H H 7.709 0.02 1 913 . 88 GLN N N 116.396 0.07 1 914 . 88 GLN CA C 58.173 0.08 1 915 . 88 GLN HA H 3.991 0.02 1 916 . 88 GLN C C 177.554 0.08 1 917 . 88 GLN CB C 29.011 0.08 1 918 . 88 GLN HB3 H 1.950 0.02 2 919 . 88 GLN CG C 33.250 0.08 1 920 . 88 GLN HG3 H 1.950 0.02 2 921 . 88 GLN NE2 N 112.048 0.07 1 922 . 88 GLN HE22 H 6.917 0.02 2 923 . 88 GLN HE21 H 6.976 0.02 2 924 . 88 GLN HB2 H 1.560 0.02 2 925 . 88 GLN HG2 H 1.890 0.02 2 926 . 89 TYR H H 7.751 0.02 1 927 . 89 TYR N N 112.365 0.07 1 928 . 89 TYR CA C 58.074 0.08 1 929 . 89 TYR HA H 5.023 0.02 1 930 . 89 TYR C C 177.021 0.08 1 931 . 89 TYR CB C 40.208 0.08 1 932 . 89 TYR HB3 H 3.490 0.02 1 933 . 89 TYR CD1 C 131.250 0.08 1 934 . 89 TYR HD1 H 6.864 0.02 1 935 . 89 TYR CD2 C 131.250 0.08 1 936 . 89 TYR HD2 H 6.864 0.02 1 937 . 89 TYR CE1 C 118.100 0.08 1 938 . 89 TYR HE1 H 6.790 0.02 1 939 . 89 TYR CE2 C 118.100 0.08 1 940 . 89 TYR HE2 H 6.790 0.02 1 941 . 89 TYR HB2 H 2.650 0.02 1 942 . 90 ASN H H 8.440 0.02 1 943 . 90 ASN N N 119.927 0.07 1 944 . 90 ASN CA C 56.355 0.08 1 945 . 90 ASN HA H 4.480 0.02 1 946 . 90 ASN C C 177.314 0.08 1 947 . 90 ASN CB C 38.254 0.08 1 948 . 90 ASN HB3 H 3.040 0.02 1 949 . 90 ASN ND2 N 113.105 0.07 1 950 . 90 ASN HD22 H 6.998 0.02 2 951 . 90 ASN HD21 H 7.771 0.02 2 952 . 90 ASN HB2 H 3.040 0.02 1 953 . 91 GLY H H 9.178 0.02 1 954 . 91 GLY N N 116.952 0.07 1 955 . 91 GLY CA C 45.821 0.08 1 956 . 91 GLY HA3 H 4.249 0.02 1 957 . 91 GLY C C 173.543 0.08 1 958 . 91 GLY HA2 H 3.683 0.02 1 959 . 92 VAL H H 8.129 0.02 1 960 . 92 VAL N N 124.303 0.07 1 961 . 92 VAL CA C 60.740 0.08 1 962 . 92 VAL HA H 4.304 0.02 1 963 . 92 VAL CB C 33.020 0.08 1 964 . 92 VAL HB H 2.360 0.02 1 965 . 92 VAL CG1 C 20.190 0.08 2 966 . 92 VAL CG2 C 23.220 0.08 2 967 . 92 VAL HG2 H 1.080 0.02 2 968 . 92 VAL HG1 H 1.060 0.02 2 969 . 93 PRO CA C 62.316 0.08 1 970 . 93 PRO HA H 4.293 0.02 1 971 . 93 PRO C C 175.494 0.08 1 972 . 93 PRO CB C 32.460 0.08 1 973 . 93 PRO HB3 H 2.110 0.02 1 974 . 93 PRO CG C 28.170 0.08 1 975 . 93 PRO HG3 H 2.150 0.02 2 976 . 93 PRO CD C 51.470 0.08 1 977 . 93 PRO HD3 H 4.010 0.02 2 978 . 93 PRO HB2 H 2.110 0.02 1 979 . 93 PRO HG2 H 1.800 0.02 2 980 . 93 PRO HD2 H 3.730 0.02 2 981 . 94 LEU H H 8.127 0.02 1 982 . 94 LEU N N 125.923 0.07 1 983 . 94 LEU CA C 54.248 0.08 1 984 . 94 LEU HA H 4.513 0.02 1 985 . 94 LEU C C 176.617 0.08 1 986 . 94 LEU CB C 43.319 0.08 1 987 . 94 LEU HB3 H 1.360 0.02 2 988 . 94 LEU CG C 27.560 0.08 1 989 . 94 LEU CD1 C 23.640 0.08 2 990 . 94 LEU CD2 C 25.300 0.08 2 991 . 94 LEU HG H 1.410 0.02 1 992 . 94 LEU HB2 H 1.830 0.02 2 993 . 94 LEU HD1 H 0.860 0.02 2 994 . 94 LEU HD2 H 0.870 0.02 2 995 . 95 ASP H H 9.549 0.02 1 996 . 95 ASP N N 129.457 0.07 1 997 . 95 ASP CA C 55.409 0.08 1 998 . 95 ASP HA H 4.217 0.02 1 999 . 95 ASP C C 175.941 0.08 1 1000 . 95 ASP CB C 39.224 0.08 1 1001 . 95 ASP HB3 H 2.940 0.02 1 1002 . 95 ASP HB2 H 2.480 0.02 1 1003 . 96 GLY H H 8.368 0.02 1 1004 . 96 GLY N N 101.111 0.07 1 1005 . 96 GLY CA C 45.386 0.08 1 1006 . 96 GLY HA3 H 4.243 0.02 1 1007 . 96 GLY C C 174.209 0.08 1 1008 . 96 GLY HA2 H 3.601 0.02 1 1009 . 97 ARG H H 7.564 0.02 1 1010 . 97 ARG N N 120.977 0.07 1 1011 . 97 ARG CA C 53.020 0.08 1 1012 . 97 ARG HA H 4.991 0.02 1 1013 . 97 ARG CB C 32.870 0.08 1 1014 . 97 ARG HB3 H 1.960 0.02 2 1015 . 97 ARG CG C 27.460 0.08 1 1016 . 97 ARG HG3 H 1.570 0.02 2 1017 . 97 ARG CD C 43.420 0.08 1 1018 . 97 ARG HD3 H 3.150 0.02 2 1019 . 97 ARG NE N 83.770 0.07 1 1020 . 97 ARG HE H 6.220 0.02 1 1021 . 97 ARG HB2 H 1.830 0.02 2 1022 . 97 ARG HG2 H 1.530 0.02 2 1023 . 97 ARG HD2 H 2.950 0.02 2 1024 . 98 PRO CA C 63.044 0.08 1 1025 . 98 PRO HA H 3.941 0.02 1 1026 . 98 PRO C C 176.093 0.08 1 1027 . 98 PRO CB C 31.753 0.08 1 1028 . 98 PRO HB3 H 2.110 0.02 1 1029 . 98 PRO CG C 27.110 0.08 1 1030 . 98 PRO HG2 H 1.860 0.02 1 1031 . 98 PRO CD C 51.410 0.08 1 1032 . 98 PRO HD2 H 3.690 0.02 1 1033 . 98 PRO HB2 H 2.110 0.02 1 1034 . 99 MET H H 8.334 0.02 1 1035 . 99 MET N N 126.899 0.07 1 1036 . 99 MET CA C 57.525 0.08 1 1037 . 99 MET HA H 4.299 0.02 1 1038 . 99 MET C C 175.832 0.08 1 1039 . 99 MET CB C 36.148 0.08 1 1040 . 99 MET HB3 H 1.900 0.02 2 1041 . 99 MET CG C 33.290 0.08 1 1042 . 99 MET HG2 H 2.670 0.02 2 1043 . 99 MET CE C 17.430 0.08 1 1044 . 99 MET HB2 H 1.840 0.02 2 1045 . 99 MET HE H 1.860 0.02 1 1046 . 100 ASN H H 8.051 0.02 1 1047 . 100 ASN N N 121.895 0.07 1 1048 . 100 ASN CA C 52.296 0.08 1 1049 . 100 ASN HA H 5.268 0.02 1 1050 . 100 ASN C C 174.044 0.08 1 1051 . 100 ASN CB C 39.865 0.08 1 1052 . 100 ASN HB3 H 2.890 0.02 1 1053 . 100 ASN ND2 N 110.750 0.07 1 1054 . 100 ASN HD22 H 6.835 0.02 2 1055 . 100 ASN HD21 H 7.260 0.02 2 1056 . 100 ASN HB2 H 2.660 0.02 1 1057 . 101 ILE H H 8.594 0.02 1 1058 . 101 ILE N N 124.305 0.07 1 1059 . 101 ILE CA C 61.211 0.08 1 1060 . 101 ILE HA H 4.865 0.02 1 1061 . 101 ILE C C 173.510 0.08 1 1062 . 101 ILE CB C 40.985 0.08 1 1063 . 101 ILE HB H 1.550 0.02 1 1064 . 101 ILE CG2 C 20.110 0.08 1 1065 . 101 ILE CG1 C 28.150 0.08 1 1066 . 101 ILE HG12 H 1.790 0.02 2 1067 . 101 ILE CD1 C 14.360 0.08 1 1068 . 101 ILE HD1 H 1.100 0.02 1 1069 . 101 ILE HG2 H 0.890 0.02 1 1070 . 102 GLN H H 8.527 0.02 1 1071 . 102 GLN N N 124.000 0.07 1 1072 . 102 GLN CA C 53.796 0.08 1 1073 . 102 GLN HA H 4.771 0.02 1 1074 . 102 GLN C C 173.739 0.08 1 1075 . 102 GLN CB C 34.057 0.08 1 1076 . 102 GLN HB3 H 1.760 0.02 2 1077 . 102 GLN HG2 H 2.330 0.02 2 1078 . 102 GLN NE2 N 112.510 0.07 1 1079 . 102 GLN HE22 H 6.860 0.02 2 1080 . 102 GLN HE21 H 7.583 0.02 2 1081 . 102 GLN HB2 H 1.370 0.02 2 1082 . 103 LEU H H 8.640 0.02 1 1083 . 103 LEU N N 125.557 0.07 1 1084 . 103 LEU CA C 54.786 0.08 1 1085 . 103 LEU HA H 4.742 0.02 1 1086 . 103 LEU CB C 43.000 0.08 1 1087 . 103 LEU HB3 H 1.730 0.02 2 1088 . 103 LEU CG C 27.140 0.08 1 1089 . 103 LEU CD1 C 26.050 0.08 1 1090 . 103 LEU HG H 1.490 0.02 1 1091 . 103 LEU HB2 H 1.330 0.02 2 1092 . 103 LEU HD1 H 0.820 0.02 1 1093 . 103 LEU HD2 H 0.820 0.02 1 1094 . 104 VAL H H 8.757 0.02 1 1095 . 104 VAL N N 126.839 0.07 1 1096 . 104 VAL CA C 52.472 0.08 1 1097 . 104 VAL HA H 4.350 0.02 1 1098 . 104 VAL CB C 26.272 0.08 1 1099 . 104 VAL HB H 1.920 0.02 1 1100 . 104 VAL CG1 C 20.880 0.08 2 1101 . 104 VAL CG2 C 24.020 0.08 2 1102 . 104 VAL HG2 H 0.820 0.02 1 1103 . 104 VAL HG1 H 0.820 0.02 1 1104 . 105 THR H H 8.477 0.02 1 1105 . 105 THR N N 117.823 0.07 1 1106 . 105 THR CA C 61.911 0.08 1 1107 . 105 THR HA H 4.419 0.02 1 1108 . 105 THR C C 173.815 0.08 1 1109 . 105 THR CB C 70.013 0.08 1 1110 . 105 THR HB H 4.270 0.02 1 1111 . 105 THR CG2 C 21.800 0.08 1 1112 . 105 THR HG2 H 1.170 0.02 1 1113 . 106 SER H H 7.857 0.02 1 1114 . 106 SER N N 123.182 0.07 1 1115 . 106 SER CA C 60.080 0.08 1 1116 . 106 SER HA H 4.260 0.02 1 1117 . 106 SER CB C 64.820 0.08 1 1118 . 106 SER HB3 H 3.850 0.02 1 1119 . 106 SER HB2 H 3.850 0.02 1 stop_ save_