data_5623 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignments of 1H, 15N and 13C resonances of the proline-rich matrix protein of Moloney Murine Leukemia Virus (MA Mo-MuLV) ; _BMRB_accession_number 5623 _BMRB_flat_file_name bmr5623.str _Entry_type original _Submission_date 2002-12-12 _Accession_date 2002-12-12 _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 Noskova Veronika N. . 2 Rogov Vladimir V. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 690 "13C chemical shifts" 607 "15N chemical shifts" 137 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-03-18 original author . stop_ _Original_release_date 2003-03-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Assignments of 1H, 15N and 13C resonances of the proline-rich matrix protein of Moloney Murine Leukemia Virus (MA MoMuLV) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Noskova Veronika N. . 2 Rogov Vladimir V. . 3 Lohr Frank . . 4 Rozenberg Yanina . . 5 Anderson W. French . 6 Potekhin Sergey A. . 7 Ruterjans Heinz . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 25 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 261 _Page_last 262 _Year 2003 _Details . loop_ _Keyword 'proline-rich matrix protein' MoMuLV stop_ save_ ################################## # Molecular system description # ################################## save_system_MA_MoMuLV _Saveframe_category molecular_system _Mol_system_name 'matrix protein from Moloney Murine Leukemia Virus matrix protein' _Abbreviation_common 'MA MoMuLV' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MA MoMuLV, monomer' $MA_MoMuLV_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'essential for virus assembly' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MA_MoMuLV_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'matrix protein' _Abbreviation_common 'MA MoMuLV' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; MGQTVTTPLSLTLGHWKDVE RIAHNQSVDVKKRRWVTFCS AEWPTFNVGWPRDGTFNRDL ITQVKIKVFSPGPHGHPDQV PYIVTWEALAFDPPPWVKPF VHPKPPPPLPPSAPSLPLEP PRSTPPRSSLY ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 GLN 4 THR 5 VAL 6 THR 7 THR 8 PRO 9 LEU 10 SER 11 LEU 12 THR 13 LEU 14 GLY 15 HIS 16 TRP 17 LYS 18 ASP 19 VAL 20 GLU 21 ARG 22 ILE 23 ALA 24 HIS 25 ASN 26 GLN 27 SER 28 VAL 29 ASP 30 VAL 31 LYS 32 LYS 33 ARG 34 ARG 35 TRP 36 VAL 37 THR 38 PHE 39 CYS 40 SER 41 ALA 42 GLU 43 TRP 44 PRO 45 THR 46 PHE 47 ASN 48 VAL 49 GLY 50 TRP 51 PRO 52 ARG 53 ASP 54 GLY 55 THR 56 PHE 57 ASN 58 ARG 59 ASP 60 LEU 61 ILE 62 THR 63 GLN 64 VAL 65 LYS 66 ILE 67 LYS 68 VAL 69 PHE 70 SER 71 PRO 72 GLY 73 PRO 74 HIS 75 GLY 76 HIS 77 PRO 78 ASP 79 GLN 80 VAL 81 PRO 82 TYR 83 ILE 84 VAL 85 THR 86 TRP 87 GLU 88 ALA 89 LEU 90 ALA 91 PHE 92 ASP 93 PRO 94 PRO 95 PRO 96 TRP 97 VAL 98 LYS 99 PRO 100 PHE 101 VAL 102 HIS 103 PRO 104 LYS 105 PRO 106 PRO 107 PRO 108 PRO 109 LEU 110 PRO 111 PRO 112 SER 113 ALA 114 PRO 115 SER 116 LEU 117 PRO 118 LEU 119 GLU 120 PRO 121 PRO 122 ARG 123 SER 124 THR 125 PRO 126 PRO 127 ARG 128 SER 129 SER 130 LEU 131 TYR 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 1MN8 "Structure Of Moloney Murine Leukaemia Virus Matrix Protein" 75.57 100 100.00 100.00 1.59e-65 EMBL CAA24781 "oncogene v-abl [Mus sp.]" 100.00 918 99.24 99.24 4.53e-82 GB AAB59942 "gag polyprotein pr65 [Murine leukemia virus]" 100.00 538 100.00 100.00 4.45e-86 GB AAB64159 "Gag [synthetic construct]" 100.00 538 100.00 100.00 4.45e-86 GB AAC82566 "Pr65 [Moloney murine leukemia virus]" 100.00 538 100.00 100.00 4.45e-86 GB AAC82568 "Pr180 [Moloney murine leukemia virus]" 100.00 1737 100.00 100.00 4.56e-82 GB AAC82569 "p120 polyprotein [Abelson murine leukemia virus]" 100.00 981 99.24 99.24 3.05e-83 PRF 0711245A "protein gag/pol/env" 100.00 2514 100.00 100.00 1.15e-81 REF NP_057866 "p120 Gag-Abl polyprotein [Abelson murine leukemia virus]" 100.00 981 99.24 99.24 3.05e-83 REF NP_057933 "Pr180 [Moloney murine leukemia virus]" 100.00 1737 100.00 100.00 4.30e-82 REF NP_057934 "Pr65 [Moloney murine leukemia virus]" 100.00 538 100.00 100.00 4.45e-86 REF NP_955583 "p15 MA [Moloney murine leukemia virus]" 99.24 130 100.00 100.00 2.33e-86 REF NP_955593 "MA [Abelson murine leukemia virus]" 99.24 130 99.23 99.23 2.55e-85 SP P03332 "RecName: Full=Gag polyprotein; Short=Pr65gag; AltName: Full=Core polyprotein; Contains: RecName: Full=Matrix protein p15; Short" 100.00 538 100.00 100.00 4.45e-86 SP P03333 "RecName: Full=Gag polyprotein; Contains: RecName: Full=Matrix protein p15; Short=MA; Contains: RecName: Full=RNA-binding phosph" 100.00 235 99.24 99.24 5.79e-86 SP P03355 "RecName: Full=Gag-Pol polyprotein; Short=Pr180gag-pol; Contains: RecName: Full=Matrix protein p15; Short=MA; Contains: RecName:" 100.00 1738 100.00 100.00 4.19e-82 SP P32594 "RecName: Full=Gag polyprotein; AltName: Full=Core polyprotein; Contains: RecName: Full=Matrix protein p15; Short=MA; Contains: " 100.00 468 96.95 97.71 4.76e-82 SP Q8UN02 "RecName: Full=Glycosylated Gag polyprotein; Short=Pr80gag; AltName: Full=Glyco-gag; AltName: Full=gp80gag; Contains: RecName: F" 100.00 626 96.95 96.95 1.16e-81 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $MA_MoMuLV_monomer 'Moloney Murine Leukemia Virus' 11786 Viruses . Gammaretrovirus 'Murine Leukemia Virus' gag 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 $MA_MoMuLV_monomer 'recombinant technology' 'E. coli' Escherichia coli BL21 plasmid pET11c stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $MA_MoMuLV_monomer . mM 1.0 1.2 '[U-95% 13C; U-90% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceDMX _Field_strength 500 _Details . save_ save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceDMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_[15N,1H]-TROSY-HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name [15N,1H]-TROSY-HNCO _Sample_label . save_ save_(HCA)CO(CA)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name (HCA)CO(CA)NH _Sample_label . save_ save_[15N,1H]-TROSY-HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name [15N,1H]-TROSY-HNCACB _Sample_label . save_ save_CBCACOHA_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACOHA _Sample_label . save_ save_HBHA(CBCA)(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCA)(CO)NH _Sample_label . save_ save_H(CC)(CO)NH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name H(CC)(CO)NH-TOCSY _Sample_label . save_ save_(H)C(C)(CO)NH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(C)(CO)NH-TOCSY _Sample_label . save_ save_1H-15N_TOCSY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY-HSQC' _Sample_label . save_ save_1H-15N_NOESY-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY-HSQC' _Sample_label . save_ save_1H-13C_NOESY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY-HSQC' _Sample_label . save_ save_1H-13C_NOESY-TROSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY-TROSY' _Sample_label . save_ save_15N-1H_TROSY-H(NCDCG)CB_12 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-1H TROSY-H(NCDCG)CB' _Sample_label . save_ save_15N-1H_TROSY-H(N)Car_13 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-1H TROSY-H(N)Car' _Sample_label . save_ save_13C-1H_H(CDCG)CB_14 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-1H H(CDCG)CB' _Sample_label . save_ save_1H-13C-15N_HCAN_15 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C-15N HCAN' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name [15N,1H]-TROSY-HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name (HCA)CO(CA)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name [15N,1H]-TROSY-HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACOHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCA)(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name H(CC)(CO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(C)(CO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY-TROSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-1H TROSY-H(NCDCG)CB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-1H TROSY-H(N)Car' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-1H H(CDCG)CB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C-15N HCAN' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 0.1 n/a temperature 303 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS 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_MA_MoMuLV _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample1 stop_ _Sample_conditions_label $cond1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'MA MoMuLV, 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 GLY H H 8.719 0.01 1 2 . 2 GLY N N 110.509 0.1 1 3 . 2 GLY CA C 45.057 0.1 1 4 . 2 GLY HA2 H 4.036 0.01 2 5 . 2 GLY C C 174.299 0.1 1 6 . 3 GLN H H 8.364 0.01 1 7 . 3 GLN N N 119.967 0.1 1 8 . 3 GLN CA C 55.661 0.1 1 9 . 3 GLN HA H 4.492 0.01 1 10 . 3 GLN C C 176.105 0.1 1 11 . 3 GLN CB C 29.592 0.1 1 12 . 3 GLN HB2 H 2.131 0.01 1 13 . 3 GLN HB3 H 2.026 0.01 1 14 . 3 GLN CG C 33.592 0.1 1 15 . 3 GLN HG2 H 2.411 0.01 2 16 . 3 GLN NE2 N 112.509 0.1 1 17 . 3 GLN HE21 H 7.593 0.01 1 18 . 3 GLN HE22 H 6.889 0.01 1 19 . 4 THR H H 8.441 0.01 1 20 . 4 THR N N 117.76 0.1 1 21 . 4 THR CA C 62.055 0.1 1 22 . 4 THR HA H 4.41 0.01 1 23 . 4 THR C C 176.364 0.1 1 24 . 4 THR CB C 69.696 0.1 1 25 . 4 THR HB H 4.177 0.01 1 26 . 4 THR CG2 C 21.62 0.1 1 27 . 4 THR HG2 H 1.231 0.01 1 28 . 5 VAL H H 8.373 0.01 1 29 . 5 VAL N N 124.011 0.1 1 30 . 5 VAL CA C 62.055 0.1 1 31 . 5 VAL HA H 4.27 0.01 1 32 . 5 VAL C C 176.041 0.1 1 33 . 5 VAL CB C 32.894 0.1 1 34 . 5 VAL HB H 2.131 0.01 1 35 . 5 VAL CG1 C 20.529 0.1 1 36 . 5 VAL HG1 H 0.99 0.01 1 37 . 5 VAL CG2 C 20.529 0.1 1 38 . 5 VAL HG2 H 0.99 0.01 1 39 . 6 THR H H 8.523 0.01 1 40 . 6 THR N N 122.01 0.1 1 41 . 6 THR CA C 62.537 0.1 1 42 . 6 THR HA H 4.352 0.01 1 43 . 6 THR C C 173.655 0.1 1 44 . 6 THR CB C 69.696 0.1 1 45 . 6 THR HB H 4.118 0.01 1 46 . 6 THR CG2 C 21.826 0.1 1 47 . 6 THR HG2 H 1.219 0.01 1 48 . 7 THR H H 8.61 0.01 1 49 . 7 THR N N 117.26 0.1 1 50 . 7 THR CA C 58.624 0.1 1 51 . 7 THR HA H 4.864 0.01 1 52 . 7 THR C C 172.623 0.1 1 53 . 7 THR CB C 69.852 0.1 1 54 . 7 THR HB H 4.773 0.01 1 55 . 7 THR CG2 C 21.932 0.1 1 56 . 7 THR HG2 H 1.301 0.01 1 57 . 8 PRO N N 134.386 0.1 1 58 . 8 PRO CA C 66.421 0.1 1 59 . 8 PRO HA H 4.13 0.01 1 60 . 8 PRO C C 178.298 0.1 1 61 . 8 PRO CB C 31.239 0.1 1 62 . 8 PRO HB2 H 1.37 0.01 2 63 . 8 PRO CG C 28.654 0.1 1 64 . 8 PRO HG2 H 1.757 0.01 2 65 . 8 PRO CD C 49.829 0.1 1 66 . 8 PRO HD2 H 3.801 0.01 1 67 . 8 PRO HD3 H 3.547 0.01 1 68 . 9 LEU H H 8.63 0.01 1 69 . 9 LEU N N 116.26 0.1 1 70 . 9 LEU CA C 58.468 0.1 1 71 . 9 LEU HA H 4.597 0.01 1 72 . 9 LEU C C 179.200 0.1 1 73 . 9 LEU CB C 41.159 0.1 1 74 . 9 LEU HB2 H 1.932 0.01 1 75 . 9 LEU HB3 H 1.722 0.01 1 76 . 9 LEU CG C 27.004 0.1 1 77 . 9 LEU CD1 C 23.238 0.1 1 78 . 9 LEU HD1 H 1.436 0.01 1 79 . 9 LEU CD2 C 26.075 0.1 1 80 . 9 LEU HD2 H 1.196 0.01 1 81 . 9 LEU HG H 0.88 0.01 1 82 . 10 SER H H 8.63 0.01 1 83 . 10 SER N N 118.51 0.1 1 84 . 10 SER CA C 62.367 0.1 1 85 . 10 SER HA H 4.155 0.01 1 86 . 10 SER C C 178.233 0.1 1 87 . 10 SER CB C 62.211 0.1 1 88 . 10 SER HB2 H 3.978 0.01 2 89 . 11 LEU H H 9.051 0.01 1 90 . 11 LEU N N 126.011 0.1 1 91 . 11 LEU CA C 58.306 0.1 1 92 . 11 LEU HA H 4.387 0.01 1 93 . 11 LEU C C 180.168 0.1 1 94 . 11 LEU CB C 42.874 0.1 1 95 . 11 LEU HB2 H 2.142 0.01 1 96 . 11 LEU HB3 H 2.061 0.01 1 97 . 11 LEU CG C 26.856 0.1 1 98 . 11 LEU CD1 C 25.216 0.1 1 99 . 11 LEU HD1 H 1.117 0.01 1 100 . 11 LEU CD2 C 25.059 0.1 1 101 . 11 LEU HD2 H 1.161 0.01 1 102 . 11 LEU HG H 1.874 0.01 1 103 . 12 THR H H 8.63 0.01 1 104 . 12 THR N N 110.259 0.1 1 105 . 12 THR CA C 65.797 0.1 1 106 . 12 THR HA H 4.083 0.01 1 107 . 12 THR C C 176.299 0.1 1 108 . 12 THR CB C 69.384 0.1 1 109 . 12 THR HB H 4.293 0.01 1 110 . 12 THR CG2 C 23.417 0.1 1 111 . 12 THR HG2 H 1.628 0.01 1 112 . 13 LEU H H 7.952 0.01 1 113 . 13 LEU N N 120.01 0.1 1 114 . 13 LEU CA C 57.688 0.1 1 115 . 13 LEU HA H 4.282 0.01 1 116 . 13 LEU C C 180.619 0.1 1 117 . 13 LEU CB C 41.159 0.1 1 118 . 13 LEU HB2 H 1.932 0.01 1 119 . 13 LEU HB3 H 1.441 0.01 1 120 . 13 LEU CG C 26.622 0.1 1 121 . 13 LEU CD1 C 24.824 0.1 1 122 . 13 LEU HD1 H 0.868 0.01 1 123 . 13 LEU CD2 C 22.245 0.1 1 124 . 13 LEU HD2 H 0.638 0.01 1 125 . 13 LEU HG H 2.041 0.01 1 126 . 14 GLY H H 8.233 0.01 1 127 . 14 GLY N N 107.509 0.1 1 128 . 14 GLY CA C 45.525 0.1 1 129 . 14 GLY HA2 H 3.968 0.01 1 130 . 14 GLY HA3 H 3.771 0.01 1 131 . 14 GLY C C 174.106 0.1 1 132 . 15 HIS H H 7.295 0.01 1 133 . 15 HIS N N 119.76 0.1 1 134 . 15 HIS CA C 54.102 0.1 1 135 . 15 HIS HA H 4.49 0.01 1 136 . 15 HIS C C 175.138 0.1 1 137 . 15 HIS CB C 26.231 0.1 1 138 . 15 HIS HB2 H 2.441 0.01 1 139 . 15 HIS HB3 H 1.202 0.01 1 140 . 15 HIS CD2 C 120.051 0.1 1 141 . 15 HIS HD2 H 6.785 0.01 1 142 . 15 HIS CE1 C 135.298 0.1 1 143 . 15 HIS HE1 H 8.321 0.01 1 144 . 16 TRP H H 7.06 0.01 1 145 . 16 TRP N N 121.76 0.1 1 146 . 16 TRP CA C 60.184 0.1 1 147 . 16 TRP HA H 4.165 0.01 1 148 . 16 TRP C C 176.427 0.1 1 149 . 16 TRP CB C 29.748 0.1 1 150 . 16 TRP HB2 H 3.521 0.01 1 151 . 16 TRP HB3 H 2.984 0.01 1 152 . 16 TRP CD1 C 126.085 0.1 1 153 . 16 TRP HD1 H 6.92 0.01 1 154 . 16 TRP NE1 N 127.261 0.1 1 155 . 16 TRP HE1 H 9.69 0.01 1 156 . 16 TRP CE3 C 120.819 0.1 1 157 . 16 TRP HE3 H 7.08 0.01 1 158 . 16 TRP CZ2 C 112.812 0.1 1 159 . 16 TRP HZ2 H 6.977 0.01 1 160 . 16 TRP CZ3 C 119.613 0.1 1 161 . 16 TRP HZ3 H 7.07 0.01 1 162 . 16 TRP CH2 C 123.342 0.1 1 163 . 16 TRP HH2 H 6.265 0.01 1 164 . 17 LYS H H 8.35 0.01 1 165 . 17 LYS N N 115.01 0.1 1 166 . 17 LYS CA C 58.936 0.1 1 167 . 17 LYS HA H 3.968 0.01 1 168 . 17 LYS C C 179.716 0.1 1 169 . 17 LYS CB C 31.389 0.1 1 170 . 17 LYS HB2 H 1.803 0.01 1 171 . 17 LYS HB3 H 1.746 0.01 1 172 . 17 LYS CG C 24.65 0.1 1 173 . 17 LYS HG2 H 1.57 0.01 2 174 . 17 LYS CD C 28.654 0.1 1 175 . 17 LYS HD2 H 1.827 0.01 2 176 . 17 LYS CE C 41.939 0.1 1 177 . 17 LYS HE2 H 3.033 0.01 1 178 . 18 ASP H H 7.461 0.01 1 179 . 18 ASP N N 119.01 0.1 1 180 . 18 ASP CA C 56.909 0.1 1 181 . 18 ASP HA H 4.621 0.01 1 182 . 18 ASP C C 177.97 0.1 1 183 . 18 ASP CB C 41.783 0.1 1 184 . 18 ASP HB2 H 2.996 0.01 1 185 . 18 ASP HB3 H 2.867 0.01 1 186 . 18 ASP CG C 179.716 0.1 1 187 . 19 VAL H H 7.391 0.01 1 188 . 19 VAL N N 121.76 0.1 1 189 . 19 VAL CA C 67.357 0.1 1 190 . 19 VAL HA H 3.031 0.01 1 191 . 19 VAL C C 177.008 0.1 1 192 . 19 VAL CB C 29.983 0.1 1 193 . 19 VAL HB H 1.032 0.01 1 194 . 19 VAL CG1 C 21.229 0.1 1 195 . 19 VAL HG1 H -0.593 0.01 1 196 . 19 VAL CG2 C 23.496 0.1 1 197 . 19 VAL HG2 H 0.748 0.01 1 198 . 20 GLU H H 7.812 0.01 1 199 . 20 GLU N N 116.51 0.1 1 200 . 20 GLU CA C 59.248 0.1 1 201 . 20 GLU HA H 3.195 0.01 1 202 . 20 GLU C C 178.427 0.1 1 203 . 20 GLU CB C 30.061 0.1 1 204 . 20 GLU HB2 H 1.792 0.01 1 205 . 20 GLU HB3 H 1.5 0.01 1 206 . 20 GLU CG C 36.949 0.1 1 207 . 20 GLU HG2 H 1.593 0.01 2 208 . 20 GLU CD C 183.908 0.1 1 209 . 21 ARG H H 7.204 0.01 1 210 . 21 ARG N N 119.01 0.1 1 211 . 21 ARG CA C 59.248 0.1 1 212 . 21 ARG HA H 3.954 0.01 1 213 . 21 ARG C C 178.362 0.1 1 214 . 21 ARG CB C 29.904 0.1 1 215 . 21 ARG HB2 H 2.164 0.01 1 216 . 21 ARG HB3 H 1.92 0.01 1 217 . 21 ARG CG C 27.091 0.1 1 218 . 21 ARG HG2 H 1.733 0.01 1 219 . 21 ARG HG3 H 1.535 0.01 1 220 . 21 ARG CD C 43.03 0.1 1 221 . 21 ARG HD2 H 3.393 0.01 1 222 . 21 ARG HD3 H 3.196 0.01 1 223 . 22 ILE H H 8.0 0.01 1 224 . 22 ILE N N 122.26 0.1 1 225 . 22 ILE CA C 65.174 0.1 1 226 . 22 ILE HA H 3.639 0.01 1 227 . 22 ILE C C 178.813 0.1 1 228 . 22 ILE CB C 37.884 0.1 1 229 . 22 ILE HB H 1.85 0.01 1 230 . 22 ILE CG2 C 17.634 0.1 1 231 . 22 ILE HG2 H 0.938 0.01 1 232 . 22 ILE CG1 C 29.904 0.1 1 233 . 22 ILE HG12 H 1.7 0.01 1 234 . 22 ILE HG13 H 1.163 0.01 1 235 . 22 ILE CD1 C 13.824 0.1 1 236 . 22 ILE HD1 H 0.81 0.01 1 237 . 23 ALA H H 8.558 0.01 1 238 . 23 ALA N N 123.761 0.1 1 239 . 23 ALA CA C 55.349 0.1 1 240 . 23 ALA HA H 3.908 0.01 1 241 . 23 ALA C C 180.748 0.1 1 242 . 23 ALA CB C 18.884 0.1 1 243 . 23 ALA HB H 1.266 0.01 1 244 . 24 HIS H H 8.457 0.01 1 245 . 24 HIS N N 117.51 0.1 1 246 . 24 HIS CA C 57.844 0.1 1 247 . 24 HIS HA H 4.691 0.01 1 248 . 24 HIS C C 179.781 0.1 1 249 . 24 HIS CB C 27.709 0.1 1 250 . 24 HIS HB2 H 3.374 0.01 2 251 . 24 HIS CD2 C 119.723 0.1 1 252 . 24 HIS HD2 H 7.732 0.01 1 253 . 24 HIS CE1 C 136.066 0.1 1 254 . 24 HIS HE1 H 8.534 0.01 1 255 . 25 ASN H H 8.532 0.01 1 256 . 25 ASN N N 122.01 0.1 1 257 . 25 ASN CA C 55.349 0.1 1 258 . 25 ASN HA H 4.632 0.01 1 259 . 25 ASN C C 176.685 0.1 1 260 . 25 ASN CB C 37.728 0.1 1 261 . 25 ASN HB2 H 3.195 0.01 1 262 . 25 ASN HB3 H 2.972 0.01 1 263 . 25 ASN CG C 176.427 0.1 1 264 . 25 ASN ND2 N 110.509 0.01 1 265 . 25 ASN HD21 H 7.702 0.01 1 266 . 25 ASN HD22 H 6.857 0.01 1 267 . 26 GLN H H 7.929 0.01 1 268 . 26 GLN N N 118.26 0.1 1 269 . 26 GLN CA C 53.79 0.1 1 270 . 26 GLN HA H 4.516 0.01 1 271 . 26 GLN C C 174.557 0.1 1 272 . 26 GLN CB C 28.029 0.1 1 273 . 26 GLN HB2 H 2.458 0.01 1 274 . 26 GLN HB3 H 2.084 0.01 1 275 . 26 GLN CG C 32.894 0.1 1 276 . 26 GLN HG2 H 2.715 0.01 1 277 . 26 GLN HG3 H 2.107 0.01 1 278 . 26 GLN NE2 N 112.759 0.1 1 279 . 26 GLN HE21 H 7.24 0.01 1 280 . 26 GLN HE22 H 6.857 0.01 1 281 . 27 SER H H 8.046 0.01 1 282 . 27 SER N N 110.259 0.1 1 283 . 27 SER CA C 59.092 0.1 1 284 . 27 SER HA H 4.071 0.01 1 285 . 27 SER C C 173.977 0.1 1 286 . 27 SER CB C 61.275 0.1 1 287 . 27 SER HB2 H 4.163 0.01 2 288 . 28 VAL H H 7.906 0.01 1 289 . 28 VAL N N 111.509 0.1 1 290 . 28 VAL CA C 58.624 0.1 1 291 . 28 VAL HA H 4.843 0.01 1 292 . 28 VAL C C 173.332 0.1 1 293 . 28 VAL CB C 35.389 0.1 1 294 . 28 VAL HB H 2.142 0.01 1 295 . 28 VAL CG1 C 18.181 0.1 1 296 . 28 VAL HG1 H 0.763 0.01 1 297 . 28 VAL CG2 C 21.59 0.1 1 298 . 28 VAL HG2 H 0.88 0.01 1 299 . 29 ASP H H 7.906 0.01 1 300 . 29 ASP N N 118.26 0.1 1 301 . 29 ASP CA C 53.322 0.1 1 302 . 29 ASP HA H 5.007 0.01 1 303 . 29 ASP C C 174.944 0.1 1 304 . 29 ASP CB C 44.59 0.1 1 305 . 29 ASP HB2 H 2.552 0.01 2 306 . 29 ASP CG C 180.168 0.1 1 307 . 30 VAL H H 7.906 0.01 1 308 . 30 VAL N N 113.009 0.1 1 309 . 30 VAL CA C 58.78 0.1 1 310 . 30 VAL HA H 4.504 0.01 1 311 . 30 VAL C C 174.042 0.1 1 312 . 30 VAL CB C 36.481 0.1 1 313 . 30 VAL HB H 2.131 0.01 1 314 . 30 VAL CG1 C 17.712 0.1 1 315 . 30 VAL HG1 H 0.484 0.01 1 316 . 30 VAL CG2 C 22.792 0.1 1 317 . 30 VAL HG2 H 0.249 0.01 1 318 . 31 LYS H H 8.672 0.01 1 319 . 31 LYS N N 119.76 0.1 1 320 . 31 LYS CA C 53.946 0.1 1 321 . 31 LYS HA H 5.007 0.01 1 322 . 31 LYS C C 177.588 0.1 1 323 . 31 LYS CB C 34.765 0.1 1 324 . 31 LYS HB2 H 2.201 0.01 1 325 . 31 LYS HB3 H 1.955 0.01 1 326 . 31 LYS CG C 24.668 0.1 1 327 . 31 LYS HG2 H 1.687 0.01 1 328 . 31 LYS HG3 H 1.511 0.01 1 329 . 31 LYS CD C 28.415 0.1 1 330 . 31 LYS HD2 H 1.687 0.01 2 331 . 31 LYS CE C 42.406 0.1 1 332 . 31 LYS HE2 H 3.113 0.01 1 333 . 31 LYS HE3 H 3.008 0.01 1 334 . 32 LYS H H 8.911 0.01 1 335 . 32 LYS N N 126.761 0.1 1 336 . 32 LYS CA C 60.654 0.1 1 337 . 32 LYS HA H 2.996 0.01 1 338 . 32 LYS C C 177.911 0.1 1 339 . 32 LYS CB C 32.484 0.1 1 340 . 32 LYS HB2 H 1.149 0.01 1 341 . 32 LYS HB3 H 0.74 0.01 1 342 . 32 LYS CG C 24.121 0.1 1 343 . 32 LYS HG2 H 0.401 0.01 1 344 . 32 LYS HG3 H -0.172 0.01 1 345 . 32 LYS CD C 29.123 0.1 1 346 . 32 LYS HD2 H 1.044 0.01 2 347 . 32 LYS CE C 41.159 0.1 1 348 . 32 LYS HE2 H 2.259 0.01 1 349 . 32 LYS HE3 H 2.142 0.01 1 350 . 33 ARG H H 8.657 0.01 1 351 . 33 ARG N N 116.51 0.1 1 352 . 33 ARG CA C 59.404 0.1 1 353 . 33 ARG HA H 3.931 0.01 1 354 . 33 ARG C C 175.718 0.1 1 355 . 33 ARG CB C 29.4 0.1 1 356 . 33 ARG HB2 H 1.805 0.01 1 357 . 33 ARG HB3 H 1.745 0.01 1 358 . 33 ARG CG C 27.247 0.1 1 359 . 33 ARG HG2 H 1.616 0.01 1 360 . 33 ARG HG3 H 1.535 0.01 1 361 . 33 ARG CD C 43.03 0.1 1 362 . 33 ARG HD2 H 3.136 0.01 2 363 . 34 ARG H H 6.654 0.01 1 364 . 34 ARG N N 117.26 0.1 1 365 . 34 ARG CA C 57.844 0.1 1 366 . 34 ARG HA H 3.428 0.01 1 367 . 34 ARG C C 175.71 0.1 1 368 . 34 ARG CB C 28.967 0.1 1 369 . 34 ARG HB2 H 1.897 0.01 1 370 . 34 ARG HB3 H 1.067 0.01 1 371 . 34 ARG CG C 27.247 0.1 1 372 . 34 ARG HG2 H 1.444 0.01 1 373 . 34 ARG HG3 H 1.193 0.01 1 374 . 34 ARG CD C 43.03 0.1 1 375 . 34 ARG HD2 H 2.986 0.01 2 376 . 35 TRP H H 8.453 0.01 1 377 . 35 TRP N N 121.51 0.1 1 378 . 35 TRP CA C 60.651 0.1 1 379 . 35 TRP HA H 4.41 0.01 1 380 . 35 TRP C C 179.781 0.1 1 381 . 35 TRP CB C 29.827 0.1 1 382 . 35 TRP HB2 H 3.93 0.01 1 383 . 35 TRP HB3 H 3.695 0.01 1 384 . 35 TRP CD1 C 126.414 0.1 1 385 . 35 TRP HD1 H 6.905 0.01 1 386 . 35 TRP NE1 N 128.761 0.1 1 387 . 35 TRP HE1 H 10.393 0.01 1 388 . 35 TRP CE3 C 118.845 0.1 1 389 . 35 TRP HE3 H 7.935 0.01 1 390 . 35 TRP CZ2 C 113.251 0.1 1 391 . 35 TRP HZ2 H 6.108 0.01 1 392 . 35 TRP CZ3 C 120.929 0.1 1 393 . 35 TRP HZ3 H 7.1 0.01 1 394 . 35 TRP CH2 C 123.671 0.1 1 395 . 35 TRP HH2 H 6.14 0.01 1 396 . 36 VAL H H 7.89 0.01 1 397 . 36 VAL N N 117.51 0.1 1 398 . 36 VAL CA C 66.889 0.1 1 399 . 36 VAL HA H 3.639 0.01 1 400 . 36 VAL C C 178.556 0.1 1 401 . 36 VAL CB C 32.249 0.1 1 402 . 36 VAL HB H 2.166 0.01 1 403 . 36 VAL CG1 C 21.073 0.1 1 404 . 36 VAL HG1 H 0.927 0.01 1 405 . 36 VAL CG2 C 24.349 0.1 1 406 . 36 VAL HG2 H 1.277 0.01 1 407 . 37 THR H H 8.125 0.01 1 408 . 37 THR N N 119.26 0.1 1 409 . 37 THR CA C 66.733 0.1 1 410 . 37 THR HA H 3.721 0.01 1 411 . 37 THR C C 177.395 0.1 1 412 . 37 THR CB C 68.136 0.1 1 413 . 37 THR HB H 3.615 0.01 1 414 . 37 THR CG2 C 21.854 0.1 1 415 . 37 THR HG2 H 0.997 0.01 1 416 . 38 PHE H H 8.688 0.01 1 417 . 38 PHE N N 120.51 0.1 1 418 . 38 PHE CA C 57.844 0.1 1 419 . 38 PHE HA H 3.943 0.01 1 420 . 38 PHE C C 175.202 0.1 1 421 . 38 PHE CB C 34.921 0.1 1 422 . 38 PHE HB2 H 1.722 0.01 1 423 . 38 PHE HB3 H 1.022 0.01 1 424 . 38 PHE CD1 C 129.155 0.1 1 425 . 38 PHE HD1 H 6.177 0.01 2 426 . 38 PHE CD2 C 129.155 0.1 1 427 . 38 PHE CE1 C 131.568 0.1 1 428 . 38 PHE HE1 H 6.925 0.01 2 429 . 38 PHE CE2 C 131.568 0.1 1 430 . 38 PHE CZ C 129.704 0.1 1 431 . 38 PHE HZ H 7.04 0.01 1 432 . 39 CYS H H 6.807 0.01 1 433 . 39 CYS N N 113.509 0.1 1 434 . 39 CYS CA C 61.831 0.1 1 435 . 39 CYS HA H 3.721 0.01 1 436 . 39 CYS C C 173.332 0.1 1 437 . 39 CYS CB C 27.169 0.1 1 438 . 39 CYS HB2 H 3.089 0.01 1 439 . 39 CYS HB3 H 2.493 0.01 1 440 . 40 SER H H 8.234 0.01 1 441 . 40 SER N N 105.258 0.1 1 442 . 40 SER CA C 59.404 0.1 1 443 . 40 SER HA H 5.042 0.01 1 444 . 40 SER C C 174.493 0.1 1 445 . 40 SER CB C 65.641 0.1 1 446 . 40 SER HB2 H 3.814 0.01 2 447 . 41 ALA H H 8.052 0.01 1 448 . 41 ALA N N 122.76 0.1 1 449 . 41 ALA CA C 52.854 0.1 1 450 . 41 ALA HA H 4.703 0.01 1 451 . 41 ALA C C 178.233 0.1 1 452 . 41 ALA CB C 20.682 0.1 1 453 . 41 ALA HB H 1.444 0.01 1 454 . 42 GLU H H 7.374 0.01 1 455 . 42 GLU N N 117.51 0.1 1 456 . 42 GLU CA C 58.312 0.1 1 457 . 42 GLU HA H 4.387 0.01 1 458 . 42 GLU C C 177.653 0.1 1 459 . 42 GLU CB C 30.686 0.1 1 460 . 42 GLU HB2 H 1.8 0.01 2 461 . 42 GLU CG C 34.45 0.1 1 462 . 42 GLU HG2 H 2.119 0.01 1 463 . 42 GLU HG3 H 1.944 0.01 1 464 . 43 TRP H H 8.591 0.01 1 465 . 43 TRP N N 123.011 0.1 1 466 . 43 TRP CA C 58.312 0.1 1 467 . 43 TRP HA H 3.36 0.01 1 468 . 43 TRP C C 177.459 0.1 1 469 . 43 TRP CB C 26.106 0.1 1 470 . 43 TRP CD1 C 124.988 0.1 1 471 . 43 TRP HD1 H 5.715 0.01 1 472 . 43 TRP NE1 N 126.761 0.1 1 473 . 43 TRP HE1 H 9.785 0.01 1 474 . 43 TRP CE3 C 120.051 0.1 1 475 . 43 TRP HE3 H 5.35 0.01 1 476 . 43 TRP CZ2 C 111.386 0.1 1 477 . 43 TRP HZ2 H 6.955 0.01 1 478 . 43 TRP CZ3 C 120.38 0.1 1 479 . 43 TRP HZ3 H 5.505 0.01 1 480 . 43 TRP CH2 C 122.245 0.1 1 481 . 43 TRP HH2 H 6.485 0.01 1 482 . 44 PRO N N 137.515 0.1 1 483 . 44 PRO CA C 66.889 0.1 1 484 . 44 PRO HA H 4.831 0.01 1 485 . 44 PRO C C 178.040 0.1 1 486 . 44 PRO CB C 31.858 0.1 1 487 . 44 PRO HB2 H 2.6 0.01 1 488 . 44 PRO HB3 H 1.757 0.01 1 489 . 44 PRO CG C 28.885 0.1 1 490 . 44 PRO HG2 H 2.113 0.01 1 491 . 44 PRO HG3 H 1.959 0.01 1 492 . 44 PRO CD C 51.607 0.1 1 493 . 44 PRO HD2 H 3.849 0.01 1 494 . 44 PRO HD3 H 2.902 0.01 1 495 . 45 THR H H 7.655 0.01 1 496 . 45 THR N N 106.008 0.1 1 497 . 45 THR CA C 63.302 0.1 1 498 . 45 THR HA H 4.516 0.01 1 499 . 45 THR C C 175.589 0.1 1 500 . 45 THR CB C 70.008 0.1 1 501 . 45 THR HB H 4.586 0.01 1 502 . 45 THR CG2 C 21.229 0.1 1 503 . 45 THR HG2 H 1.464 0.01 1 504 . 46 PHE H H 7.749 0.01 1 505 . 46 PHE N N 119.51 0.1 1 506 . 46 PHE CA C 55.349 0.1 1 507 . 46 PHE HA H 4.796 0.01 1 508 . 46 PHE C C 175.525 0.1 1 509 . 46 PHE CB C 37.572 0.1 1 510 . 46 PHE HB2 H 3.44 0.01 1 511 . 46 PHE HB3 H 3.311 0.01 1 512 . 46 PHE CD1 C 128.936 0.1 1 513 . 46 PHE HD1 H 6.961 0.01 2 514 . 46 PHE CD2 C 128.936 0.1 1 515 . 46 PHE CE1 C 131.678 0.1 1 516 . 46 PHE HE1 H 7.071 0.01 2 517 . 46 PHE CE2 C 131.678 0.1 1 518 . 46 PHE CZ C 129.704 0.1 1 519 . 46 PHE HZ H 7.07 0.01 1 520 . 47 ASN H H 7.984 0.01 1 521 . 47 ASN N N 114.009 0.1 1 522 . 47 ASN CA C 54.258 0.1 1 523 . 47 ASN HA H 4.726 0.01 1 524 . 47 ASN C C 175.073 0.1 1 525 . 47 ASN CB C 36.637 0.1 1 526 . 47 ASN HB2 H 3.253 0.01 1 527 . 47 ASN HB3 H 2.856 0.01 1 528 . 47 ASN CG C 178.104 0.1 1 529 . 47 ASN ND2 N 112.259 0.01 1 530 . 47 ASN HD21 H 7.578 0.01 1 531 . 47 ASN HD22 H 6.807 0.01 1 532 . 48 VAL H H 8.514 0.01 1 533 . 48 VAL N N 108.009 0.1 1 534 . 48 VAL CA C 59.404 0.1 1 535 . 48 VAL HA H 4.714 0.01 1 536 . 48 VAL C C 175.525 0.1 1 537 . 48 VAL CB C 32.327 0.1 1 538 . 48 VAL HB H 2.61 0.01 1 539 . 48 VAL CG1 C 18.962 0.1 1 540 . 48 VAL HG1 H 0.763 0.01 1 541 . 48 VAL CG2 C 21.463 0.1 1 542 . 48 VAL HG2 H 0.892 0.01 1 543 . 49 GLY H H 8.093 0.01 1 544 . 49 GLY N N 109.009 0.1 1 545 . 49 GLY CA C 45.213 0.1 1 546 . 49 GLY HA2 H 4.153 0.01 1 547 . 49 GLY HA3 H 3.557 0.01 1 548 . 49 GLY C C 174.557 0.1 1 549 . 50 TRP H H 8.177 0.01 1 550 . 50 TRP N N 122.76 0.1 1 551 . 50 TRP CA C 55.349 0.1 1 552 . 50 TRP HA H 4.317 0.01 1 553 . 50 TRP C C 173.913 0.1 1 554 . 50 TRP CB C 27.951 0.1 1 555 . 50 TRP HB2 H 3.236 0.01 1 556 . 50 TRP HB3 H 2.986 0.01 1 557 . 50 TRP CD1 C 129.814 0.1 1 558 . 50 TRP HD1 H 6.659 0.01 1 559 . 50 TRP NE1 N 132.262 0.1 1 560 . 50 TRP HE1 H 9.87 0.01 1 561 . 50 TRP CE3 C 119.942 0.1 1 562 . 50 TRP HE3 H 6.93 0.01 1 563 . 50 TRP CZ2 C 112.154 0.1 1 564 . 50 TRP HZ2 H 6.045 0.01 1 565 . 50 TRP CZ3 C 121.587 0.1 1 566 . 50 TRP HZ3 H 6.444 0.01 1 567 . 50 TRP CH2 C 124.11 0.1 1 568 . 50 TRP HH2 H 6.057 0.01 1 569 . 51 PRO N N 145.257 0.1 1 570 . 51 PRO CA C 61.119 0.1 1 571 . 51 PRO HA H 4.516 0.01 1 572 . 51 PRO C C 177.395 0.1 1 573 . 51 PRO CB C 31.702 0.1 1 574 . 51 PRO HB2 H 2.094 0.01 1 575 . 51 PRO HB3 H 1.754 0.01 1 576 . 51 PRO CG C 26.778 0.1 1 577 . 51 PRO HG2 H 1.546 0.01 1 578 . 51 PRO HG3 H 1.324 0.01 1 579 . 51 PRO CD C 49.892 0.1 1 580 . 51 PRO HD2 H 3.802 0.01 1 581 . 51 PRO HD3 H 1.885 0.01 1 582 . 52 ARG H H 8.594 0.01 1 583 . 52 ARG N N 120.01 0.1 1 584 . 52 ARG CA C 58.312 0.1 1 585 . 52 ARG HA H 4.469 0.01 1 586 . 52 ARG C C 176.299 0.1 1 587 . 52 ARG CB C 29.826 0.1 1 588 . 52 ARG HB2 H 2.026 0.01 1 589 . 52 ARG HB3 H 1.815 0.01 1 590 . 52 ARG CG C 26.544 0.1 1 591 . 52 ARG HG2 H 1.781 0.01 1 592 . 52 ARG HG3 H 1.675 0.01 1 593 . 52 ARG CD C 43.496 0.1 1 594 . 52 ARG HD2 H 3.265 0.01 2 595 . 53 ASP H H 7.561 0.01 1 596 . 53 ASP N N 114.259 0.1 1 597 . 53 ASP CA C 53.79 0.1 1 598 . 53 ASP HA H 4.761 0.01 1 599 . 53 ASP C C 175.138 0.1 1 600 . 53 ASP CB C 41.159 0.1 1 601 . 53 ASP HB2 H 2.972 0.01 1 602 . 53 ASP HB3 H 2.552 0.01 1 603 . 53 ASP CG C 180.748 0.1 1 604 . 54 GLY H H 7.718 0.01 1 605 . 54 GLY N N 105.008 0.1 1 606 . 54 GLY CA C 44.434 0.1 1 607 . 54 GLY HA2 H 3.802 0.01 1 608 . 54 GLY HA3 H 2.879 0.01 1 609 . 54 GLY C C 168.818 0.1 1 610 . 55 THR H H 5.544 0.01 1 611 . 55 THR N N 109.759 0.1 1 612 . 55 THR CA C 60.028 0.1 1 613 . 55 THR HA H 4.013 0.01 1 614 . 55 THR C C 168.302 0.1 1 615 . 55 THR CB C 67.201 0.1 1 616 . 55 THR HB H 3.534 0.01 1 617 . 55 THR CG2 C 19.822 0.1 1 618 . 55 THR HG2 H 0.0030 0.01 1 619 . 56 PHE H H 8.187 0.01 1 620 . 56 PHE N N 118.51 0.1 1 621 . 56 PHE CA C 55.817 0.1 1 622 . 56 PHE HA H 5.205 0.01 1 623 . 56 PHE C C 174.751 0.1 1 624 . 56 PHE CB C 39.132 0.1 1 625 . 56 PHE HB2 H 3.51 0.01 1 626 . 56 PHE HB3 H 2.645 0.01 1 627 . 56 PHE CD1 C 131.568 0.1 1 628 . 56 PHE HD1 H 7.285 0.01 2 629 . 56 PHE CD2 C 131.568 0.1 1 630 . 56 PHE CE1 C 130.691 0.1 1 631 . 56 PHE HE1 H 7.16 0.01 2 632 . 56 PHE CE2 C 130.691 0.1 1 633 . 56 PHE CZ C 128.497 0.1 1 634 . 56 PHE HZ H 7.26 0.01 1 635 . 57 ASN H H 8.72 0.01 1 636 . 57 ASN N N 121.51 0.1 1 637 . 57 ASN CA C 54.102 0.1 1 638 . 57 ASN HA H 4.48 0.01 1 639 . 57 ASN C C 176.299 0.1 1 640 . 57 ASN CB C 39.288 0.1 1 641 . 57 ASN HB2 H 2.864 0.01 1 642 . 57 ASN HB3 H 2.777 0.01 1 643 . 57 ASN CG C 176.299 0.1 1 644 . 57 ASN ND2 N 113.259 0.01 1 645 . 57 ASN HD21 H 7.749 0.01 1 646 . 57 ASN HD22 H 7.343 0.01 1 647 . 58 ARG H H 8.923 0.01 1 648 . 58 ARG N N 127.761 0.1 1 649 . 58 ARG CA C 59.716 0.1 1 650 . 58 ARG HA H 3.841 0.01 1 651 . 58 ARG C C 178.169 0.1 1 652 . 58 ARG CB C 30.061 0.1 1 653 . 58 ARG HB2 H 1.97 0.01 1 654 . 58 ARG HB3 H 1.835 0.01 1 655 . 58 ARG CG C 27.944 0.1 1 656 . 58 ARG HG2 H 1.859 0.01 1 657 . 58 ARG HG3 H 1.301 0.01 1 658 . 58 ARG CD C 43.186 0.1 1 659 . 58 ARG HD2 H 2.984 0.01 2 660 . 59 ASP H H 8.282 0.01 1 661 . 59 ASP N N 120.01 0.1 1 662 . 59 ASP CA C 57.533 0.1 1 663 . 59 ASP HA H 4.504 0.01 1 664 . 59 ASP C C 178.749 0.1 1 665 . 59 ASP CB C 39.911 0.1 1 666 . 59 ASP HB2 H 2.856 0.01 1 667 . 59 ASP HB3 H 2.75 0.01 1 668 . 59 ASP CG C 179.587 0.1 1 669 . 60 LEU H H 7.687 0.01 1 670 . 60 LEU N N 121.01 0.1 1 671 . 60 LEU CA C 57.688 0.1 1 672 . 60 LEU HA H 4.153 0.01 1 673 . 60 LEU C C 179.523 0.1 1 674 . 60 LEU CB C 42.095 0.1 1 675 . 60 LEU HB2 H 1.92 0.01 1 676 . 60 LEU HB3 H 1.361 0.01 1 677 . 60 LEU CG C 27.169 0.1 1 678 . 60 LEU CD1 C 25.371 0.1 1 679 . 60 LEU HD1 H 0.88 0.01 1 680 . 60 LEU CD2 C 22.636 0.1 1 681 . 60 LEU HD2 H 0.88 0.01 1 682 . 60 LEU HG H 1.663 0.01 1 683 . 61 ILE H H 8.03 0.01 1 684 . 61 ILE N N 119.76 0.1 1 685 . 61 ILE CA C 65.485 0.1 1 686 . 61 ILE HA H 3.686 0.01 1 687 . 61 ILE C C 177.846 0.1 1 688 . 61 ILE CB C 38.196 0.1 1 689 . 61 ILE HB H 2.016 0.01 1 690 . 61 ILE CG2 C 16.227 0.1 1 691 . 61 ILE HG2 H 0.915 0.01 1 692 . 61 ILE CG1 C 31.311 0.1 1 693 . 61 ILE HG12 H 1.971 0.01 1 694 . 61 ILE HG13 H 1.277 0.01 1 695 . 61 ILE CD1 C 14.664 0.1 1 696 . 61 ILE HD1 H 1.125 0.01 1 697 . 62 THR H H 8.281 0.01 1 698 . 62 THR N N 116.26 0.1 1 699 . 62 THR CA C 67.045 0.1 1 700 . 62 THR HA H 3.767 0.01 1 701 . 62 THR C C 175.267 0.1 1 702 . 62 THR CB C 68.448 0.1 1 703 . 62 THR HB H 4.434 0.01 1 704 . 62 THR CG2 C 21.542 0.1 1 705 . 62 THR HG2 H 1.231 0.01 1 706 . 63 GLN H H 7.75 0.01 1 707 . 63 GLN N N 118.01 0.1 1 708 . 63 GLN CA C 58.936 0.1 1 709 . 63 GLN HA H 3.966 0.01 1 710 . 63 GLN C C 179.523 0.1 1 711 . 63 GLN CB C 28.341 0.1 1 712 . 63 GLN HB2 H 2.189 0.01 2 713 . 63 GLN CG C 33.674 0.1 1 714 . 63 GLN HG2 H 2.633 0.01 2 715 . 63 GLN CD C 179.523 0.1 1 716 . 63 GLN NE2 N 114.509 0.1 1 717 . 63 GLN HE21 H 7.582 0.01 1 718 . 63 GLN HE22 H 6.904 0.01 1 719 . 64 VAL H H 7.593 0.01 1 720 . 64 VAL N N 119.51 0.1 1 721 . 64 VAL CA C 67.201 0.1 1 722 . 64 VAL HA H 3.3 0.01 1 723 . 64 VAL C C 177.072 0.1 1 724 . 64 VAL CB C 30.921 0.1 1 725 . 64 VAL HB H 1.406 0.01 1 726 . 64 VAL CG1 C 19.588 0.1 1 727 . 64 VAL HG1 H -0.952 0.01 1 728 . 64 VAL CG2 C 24.668 0.1 1 729 . 64 VAL HG2 H 0.529 0.01 1 730 . 65 LYS H H 8.61 0.01 1 731 . 65 LYS N N 121.76 0.1 1 732 . 65 LYS CA C 61.275 0.1 1 733 . 65 LYS HA H 3.557 0.01 1 734 . 65 LYS C C 177.717 0.1 1 735 . 65 LYS CB C 32.894 0.1 1 736 . 65 LYS HB2 H 2.084 0.01 1 737 . 65 LYS HB3 H 1.628 0.01 1 738 . 65 LYS CG C 26.544 0.1 1 739 . 65 LYS HG2 H 1.079 0.01 2 740 . 65 LYS CD C 29.983 0.1 1 741 . 65 LYS HD2 H 1.394 0.01 2 742 . 65 LYS CE C 41.939 0.1 1 743 . 65 LYS HE2 H 2.388 0.01 1 744 . 65 LYS HE3 H 2.248 0.01 1 745 . 66 ILE H H 8.328 0.01 1 746 . 66 ILE N N 117.51 0.1 1 747 . 66 ILE CA C 65.018 0.1 1 748 . 66 ILE HA H 3.604 0.01 1 749 . 66 ILE C C 179.265 0.1 1 750 . 66 ILE CB C 38.352 0.1 1 751 . 66 ILE HB H 1.792 0.01 1 752 . 66 ILE CG2 C 17.008 0.1 1 753 . 66 ILE HG2 H 0.845 0.01 1 754 . 66 ILE CG1 C 29.279 0.1 1 755 . 66 ILE HG12 H 1.757 0.01 1 756 . 66 ILE HG13 H 1.044 0.01 1 757 . 66 ILE CD1 C 13.569 0.1 1 758 . 66 ILE HD1 H 0.786 0.01 1 759 . 67 LYS H H 6.965 0.01 1 760 . 67 LYS N N 118.01 0.1 1 761 . 67 LYS CA C 58.156 0.1 1 762 . 67 LYS HA H 3.966 0.01 1 763 . 67 LYS C C 179.845 0.1 1 764 . 67 LYS CB C 32.015 0.1 1 765 . 67 LYS HB2 H 1.945 0.01 1 766 . 67 LYS HB3 H 1.338 0.01 1 767 . 67 LYS CG C 24.902 0.1 1 768 . 67 LYS HG2 H 1.383 0.01 1 769 . 67 LYS HG3 H 1.231 0.01 1 770 . 67 LYS CD C 28.185 0.1 1 771 . 67 LYS HD2 H 1.429 0.01 2 772 . 67 LYS CE C 41.939 0.1 1 773 . 67 LYS HE2 H 2.832 0.01 1 774 . 68 VAL H H 8.688 0.01 1 775 . 68 VAL N N 120.01 0.1 1 776 . 68 VAL CA C 67.045 0.1 1 777 . 68 VAL HA H 3.545 0.01 1 778 . 68 VAL C C 177.653 0.1 1 779 . 68 VAL CB C 32.107 0.1 1 780 . 68 VAL HB H 2.189 0.01 1 781 . 68 VAL CG1 C 22.401 0.1 1 782 . 68 VAL HG1 H 0.88 0.01 1 783 . 68 VAL CG2 C 23.652 0.1 1 784 . 68 VAL HG2 H 1.02 0.01 1 785 . 69 PHE H H 8.657 0.01 1 786 . 69 PHE N N 117.51 0.1 1 787 . 69 PHE CA C 59.248 0.1 1 788 . 69 PHE HA H 4.155 0.01 1 789 . 69 PHE C C 174.880 0.1 1 790 . 69 PHE CB C 38.508 0.1 1 791 . 69 PHE HB2 H 3.288 0.01 1 792 . 69 PHE HB3 H 3.031 0.01 1 793 . 69 PHE CD1 C 131.568 0.1 1 794 . 69 PHE HD1 H 7.43 0.01 2 795 . 69 PHE CD2 C 131.568 0.1 1 796 . 69 PHE CE1 C 130.801 0.1 1 797 . 69 PHE HE1 H 7.195 0.01 2 798 . 69 PHE CE2 C 130.801 0.1 1 799 . 70 SER H H 7.092 0.01 1 800 . 70 SER N N 117.51 0.1 1 801 . 70 SER CA C 58.156 0.1 1 802 . 70 SER HA H 4.551 0.01 1 803 . 70 SER C C 172.042 0.1 1 804 . 70 SER CB C 63.614 0.1 1 805 . 70 SER HB2 H 3.836 0.01 1 806 . 70 SER HB3 H 3.686 0.01 1 807 . 71 PRO N N 137.588 0.1 1 808 . 71 PRO CA C 62.834 0.1 1 809 . 71 PRO HA H 4.489 0.01 1 810 . 71 PRO C C 177.588 0.1 1 811 . 71 PRO CB C 32.015 0.1 1 812 . 71 PRO HB2 H 2.294 0.01 1 813 . 71 PRO HB3 H 1.92 0.01 1 814 . 71 PRO CG C 27.325 0.1 1 815 . 71 PRO HG2 H 2.061 0.01 2 816 . 71 PRO CD C 50.515 0.1 1 817 . 71 PRO HD2 H 3.888 0.01 1 818 . 71 PRO HD3 H 3.721 0.01 1 819 . 72 GLY H H 8.359 0.01 1 820 . 72 GLY N N 108.759 0.1 1 821 . 72 GLY CA C 44.746 0.1 1 822 . 72 GLY HA2 H 4.223 0.01 1 823 . 72 GLY HA3 H 3.851 0.01 1 824 . 72 GLY C C 173.719 0.1 1 825 . 73 PRO CA C 63.77 0.1 1 826 . 73 PRO HA H 4.317 0.01 1 827 . 73 PRO C C 176.943 0.1 1 828 . 73 PRO CB C 31.958 0.1 1 829 . 73 PRO HB2 H 2.189 0.01 1 830 . 73 PRO HB3 H 1.593 0.01 1 831 . 73 PRO CG C 26.544 0.1 1 832 . 73 PRO HG2 H 1.909 0.01 1 833 . 73 PRO HG3 H 1.472 0.01 1 834 . 73 PRO CD C 50.047 0.1 1 835 . 73 PRO HD2 H 3.674 0.01 1 836 . 73 PRO HD3 H 3.545 0.01 1 837 . 74 HIS H H 8.032 0.01 1 838 . 74 HIS N N 115.51 0.1 1 839 . 74 HIS CA C 55.349 0.1 1 840 . 74 HIS HA H 4.609 0.01 1 841 . 74 HIS C C 173.139 0.1 1 842 . 74 HIS CB C 29.514 0.1 1 843 . 74 HIS HB2 H 3.22 0.01 1 844 . 74 HIS HB3 H 2.937 0.01 1 845 . 74 HIS CD2 C 119.503 0.1 1 846 . 74 HIS HD2 H 7.096 0.01 1 847 . 74 HIS CE1 C 138.479 0.1 1 848 . 74 HIS HE1 H 8.016 0.01 1 849 . 75 GLY H H 7.133 0.01 1 850 . 75 GLY N N 105.758 0.1 1 851 . 75 GLY CA C 44.278 0.1 1 852 . 75 GLY HA2 H 4.247 0.01 1 853 . 75 GLY HA3 H 4.06 0.01 1 854 . 75 GLY C C 173.139 0.1 1 855 . 76 HIS H H 8.297 0.01 1 856 . 76 HIS N N 112.259 0.1 1 857 . 76 HIS CA C 52.231 0.1 1 858 . 76 HIS HA H 5.229 0.01 1 859 . 76 HIS C C 172.494 0.1 1 860 . 76 HIS CB C 30.764 0.1 1 861 . 76 HIS HB2 H 2.844 0.01 2 862 . 76 HIS CD2 C 119.613 0.1 1 863 . 76 HIS HD2 H 6.754 0.01 1 864 . 76 HIS CE1 C 137.163 0.1 1 865 . 76 HIS HE1 H 8.537 0.01 1 866 . 77 PRO N N 139.328 0.1 1 867 . 77 PRO CA C 65.485 0.1 1 868 . 77 PRO HA H 4.282 0.01 1 869 . 77 PRO C C 178.813 0.1 1 870 . 77 PRO CB C 31.624 0.1 1 871 . 77 PRO HB2 H 2.388 0.01 1 872 . 77 PRO HB3 H 2.01 0.01 1 873 . 77 PRO CG C 27.238 0.1 1 874 . 77 PRO HG2 H 2.113 0.01 2 875 . 77 PRO CD C 49.829 0.1 1 876 . 77 PRO HD2 H 3.779 0.01 1 877 . 77 PRO HD3 H 3.557 0.01 1 878 . 78 ASP H H 9.142 0.01 1 879 . 78 ASP N N 114.759 0.1 1 880 . 78 ASP CA C 55.349 0.1 1 881 . 78 ASP HA H 4.516 0.01 1 882 . 78 ASP C C 177.459 0.1 1 883 . 78 ASP CB C 38.976 0.1 1 884 . 78 ASP HB2 H 2.914 0.01 2 885 . 79 GLN H H 8.078 0.01 1 886 . 79 GLN N N 117.26 0.1 1 887 . 79 GLN CA C 55.817 0.1 1 888 . 79 GLN HA H 4.34 0.01 1 889 . 79 GLN C C 177.717 0.1 1 890 . 79 GLN CB C 29.357 0.1 1 891 . 79 GLN HB2 H 2.142 0.01 2 892 . 79 GLN CG C 32.415 0.1 1 893 . 79 GLN HG2 H 1.757 0.01 2 894 . 79 GLN NE2 N 108.759 0.1 1 895 . 79 GLN HE21 H 6.857 0.01 1 896 . 79 GLN HE22 H 6.247 0.01 1 897 . 80 VAL H H 7.483 0.01 1 898 . 80 VAL N N 123.511 0.1 1 899 . 80 VAL CA C 68.292 0.1 1 900 . 80 VAL HA H 3.639 0.01 1 901 . 80 VAL C C 173.913 0.1 1 902 . 80 VAL CB C 29.904 0.1 1 903 . 80 VAL HB H 2.388 0.01 1 904 . 80 VAL CG1 C 20.838 0.1 1 905 . 80 VAL HG1 H 0.915 0.01 1 906 . 80 VAL CG2 C 23.417 0.1 1 907 . 80 VAL HG2 H 0.482 0.01 1 908 . 81 PRO N N 132.575 0.1 1 909 . 81 PRO CA C 65.953 0.1 1 910 . 81 PRO HA H 4.013 0.01 1 911 . 81 PRO C C 176.492 0.1 1 912 . 81 PRO CB C 32.426 0.1 1 913 . 81 PRO HB2 H 2.259 0.01 1 914 . 81 PRO HB3 H 1.652 0.01 1 915 . 81 PRO CG C 28.81 0.1 1 916 . 81 PRO HG2 H 2.458 0.01 1 917 . 81 PRO HG3 H 2.25 0.01 1 918 . 81 PRO CD C 49.736 0.1 1 919 . 81 PRO HD2 H 3.938 0.01 2 920 . 82 TYR H H 7.186 0.01 1 921 . 82 TYR N N 113.759 0.1 1 922 . 82 TYR CA C 61.275 0.1 1 923 . 82 TYR HA H 4.317 0.01 1 924 . 82 TYR C C 177.911 0.1 1 925 . 82 TYR CB C 37.884 0.1 1 926 . 82 TYR HB2 H 3.592 0.01 2 927 . 82 TYR CD1 C 133.289 0.1 1 928 . 82 TYR HD1 H 7.185 0.01 2 929 . 82 TYR CD2 C 133.289 0.1 1 930 . 82 TYR CE1 C 118.406 0.1 1 931 . 82 TYR HE1 H 6.89 0.01 2 932 . 82 TYR CE2 C 118.406 0.1 1 933 . 83 ILE H H 8.281 0.01 1 934 . 83 ILE N N 119.76 0.1 1 935 . 83 ILE CA C 59.87 0.1 1 936 . 83 ILE HA H 4.744 0.01 1 937 . 83 ILE C C 176.492 0.1 1 938 . 83 ILE CB C 37.26 0.1 1 939 . 83 ILE HB H 1.501 0.01 1 940 . 83 ILE CG2 C 20.994 0.1 1 941 . 83 ILE HG2 H 1.254 0.01 1 942 . 83 ILE CG1 C 29.69 0.1 1 943 . 83 ILE HG12 H 0.695 0.01 1 944 . 83 ILE HG13 H 1.1 0.01 1 945 . 83 ILE CD1 C 13.491 0.1 1 946 . 83 ILE HD1 H 0.202 0.01 1 947 . 84 VAL H H 8.334 0.01 1 948 . 84 VAL N N 120.76 0.1 1 949 . 84 VAL CA C 65.797 0.1 1 950 . 84 VAL HA H 4.06 0.01 1 951 . 84 VAL C C 178.556 0.1 1 952 . 84 VAL CB C 31.624 0.1 1 953 . 84 VAL HB H 2.376 0.01 1 954 . 84 VAL CG1 C 21.073 0.1 1 955 . 84 VAL HG1 H 1.149 0.01 1 956 . 84 VAL CG2 C 22.323 0.1 1 957 . 84 VAL HG2 H 1.277 0.01 1 958 . 85 THR H H 7.514 0.01 1 959 . 85 THR N N 120.01 0.1 1 960 . 85 THR CA C 68.76 0.1 1 961 . 85 THR HA H 3.989 0.01 1 962 . 85 THR C C 176.427 0.1 1 963 . 85 THR CB C 67.201 0.1 1 964 . 85 THR HB H 4.703 0.01 1 965 . 85 THR CG2 C 22.245 0.1 1 966 . 85 THR HG2 H 1.149 0.01 1 967 . 86 TRP H H 8.453 0.01 1 968 . 86 TRP N N 122.51 0.1 1 969 . 86 TRP CA C 63.77 0.1 1 970 . 86 TRP HA H 4.469 0.01 1 971 . 86 TRP C C 178.169 0.1 1 972 . 86 TRP CB C 28.885 0.1 1 973 . 86 TRP HB2 H 3.519 0.01 2 974 . 86 TRP CD1 C 128.388 0.1 1 975 . 86 TRP HD1 H 7.375 0.01 1 976 . 86 TRP NE1 N 130.011 0.1 1 977 . 86 TRP HE1 H 8.75 0.01 1 978 . 86 TRP CE3 C 120.929 0.1 1 979 . 86 TRP HE3 H 7.93 0.01 1 980 . 86 TRP CZ2 C 113.032 0.1 1 981 . 86 TRP HZ2 H 6.985 0.01 1 982 . 86 TRP CZ3 C 121.478 0.1 1 983 . 86 TRP HZ3 H 6.395 0.01 1 984 . 86 TRP CH2 C 122.135 0.1 1 985 . 86 TRP HH2 H 6.79 0.01 1 986 . 87 GLU H H 8.578 0.01 1 987 . 87 GLU N N 116.51 0.1 1 988 . 87 GLU CA C 60.339 0.1 1 989 . 87 GLU HA H 4.06 0.01 1 990 . 87 GLU C C 177.330 0.1 1 991 . 87 GLU CB C 30.139 0.1 1 992 . 87 GLU HB2 H 2.341 0.01 1 993 . 87 GLU HB3 H 1.955 0.01 1 994 . 87 GLU CG C 36.481 0.1 1 995 . 87 GLU HG2 H 1.967 0.01 2 996 . 87 GLU CD C 183.392 0.1 1 997 . 88 ALA H H 7.911 0.01 1 998 . 88 ALA N N 121.76 0.1 1 999 . 88 ALA CA C 55.193 0.1 1 1000 . 88 ALA HA H 4.2 0.01 1 1001 . 88 ALA C C 180.684 0.1 1 1002 . 88 ALA CB C 18.024 0.1 1 1003 . 88 ALA HB H 1.511 0.01 1 1004 . 89 LEU H H 8.156 0.01 1 1005 . 89 LEU N N 118.01 0.1 1 1006 . 89 LEU CA C 57.688 0.1 1 1007 . 89 LEU HA H 3.838 0.01 1 1008 . 89 LEU C C 176.041 0.1 1 1009 . 89 LEU CB C 42.562 0.1 1 1010 . 89 LEU HB2 H 2.47 0.01 1 1011 . 89 LEU HB3 H 1.196 0.01 1 1012 . 89 LEU CG C 26.778 0.1 1 1013 . 89 LEU CD1 C 26.994 0.1 1 1014 . 89 LEU HD1 H 0.927 0.01 1 1015 . 89 LEU CD2 C 25.137 0.1 1 1016 . 89 LEU HD2 H 0.705 0.01 1 1017 . 89 LEU HG H 2.051 0.01 1 1018 . 90 ALA H H 7.765 0.01 1 1019 . 90 ALA N N 115.01 0.1 1 1020 . 90 ALA CA C 53.634 0.1 1 1021 . 90 ALA HA H 4.141 0.01 1 1022 . 90 ALA C C 179.587 0.1 1 1023 . 90 ALA CB C 20.526 0.1 1 1024 . 90 ALA HB H 1.687 0.01 1 1025 . 91 PHE H H 8.766 0.01 1 1026 . 91 PHE N N 117.51 0.1 1 1027 . 91 PHE CA C 59.716 0.1 1 1028 . 91 PHE HA H 4.315 0.01 1 1029 . 91 PHE C C 176.041 0.1 1 1030 . 91 PHE CB C 39.288 0.1 1 1031 . 91 PHE HB2 H 3.288 0.01 1 1032 . 91 PHE HB3 H 3.019 0.01 1 1033 . 91 PHE CD1 C 131.678 0.1 1 1034 . 91 PHE HD1 H 7.405 0.01 2 1035 . 91 PHE CD2 C 131.678 0.1 1 1036 . 91 PHE CE1 C 130.801 0.1 1 1037 . 91 PHE HE1 H 7.34 0.01 2 1038 . 91 PHE CE2 C 130.801 0.1 1 1039 . 91 PHE CZ C 129.594 0.1 1 1040 . 91 PHE HZ H 7.3 0.01 1 1041 . 92 ASP H H 7.568 0.01 1 1042 . 92 ASP N N 118.01 0.1 1 1043 . 92 ASP CA C 50.983 0.1 1 1044 . 92 ASP HA H 4.901 0.01 1 1045 . 92 ASP C C 171.978 0.1 1 1046 . 92 ASP CB C 40.223 0.1 1 1047 . 92 ASP HB2 H 2.856 0.01 1 1048 . 92 ASP HB3 H 2.341 0.01 1 1049 . 92 ASP CG C 181.006 0.1 1 1050 . 93 PRO N N 137.68 0.1 1 1051 . 93 PRO CA C 60.963 0.1 1 1052 . 93 PRO HA H 4.901 0.01 1 1053 . 95 PRO N N 134.222 0.1 1 1054 . 95 PRO CA C 65.832 0.1 1 1055 . 95 PRO HA H 4.061 0.01 1 1056 . 95 PRO C C 176.879 0.1 1 1057 . 95 PRO CB C 31.937 0.1 1 1058 . 95 PRO HB2 H 2.446 0.01 1 1059 . 95 PRO HB3 H 2.061 0.01 1 1060 . 95 PRO CG C 27.872 0.1 1 1061 . 95 PRO HG2 H 2.224 0.01 2 1062 . 95 PRO CD C 50.359 0.1 1 1063 . 95 PRO HD2 H 3.873 0.01 1 1064 . 95 PRO HD3 H 3.721 0.01 1 1065 . 96 TRP H H 6.31 0.01 1 1066 . 96 TRP N N 108.509 0.1 1 1067 . 96 TRP CA C 54.102 0.1 1 1068 . 96 TRP HA H 4.48 0.01 1 1069 . 96 TRP C C 176.299 0.1 1 1070 . 96 TRP CB C 27.403 0.1 1 1071 . 96 TRP HB2 H 2.987 0.01 2 1072 . 96 TRP CD1 C 127.84 0.1 1 1073 . 96 TRP HD1 H 7.33 0.01 1 1074 . 96 TRP NE1 N 134.262 0.1 1 1075 . 96 TRP HE1 H 11.457 0.01 1 1076 . 96 TRP CE3 C 121.916 0.1 1 1077 . 96 TRP HE3 H 6.913 0.01 1 1078 . 96 TRP CZ2 C 113.69 0.1 1 1079 . 96 TRP HZ2 H 7.035 0.01 1 1080 . 96 TRP CZ3 C 120.49 0.1 1 1081 . 96 TRP HZ3 H 6.588 0.01 1 1082 . 96 TRP CH2 C 123.891 0.1 1 1083 . 96 TRP HH2 H 6.715 0.01 1 1084 . 97 VAL H H 6.795 0.01 1 1085 . 97 VAL N N 120.01 0.1 1 1086 . 97 VAL CA C 63.146 0.1 1 1087 . 97 VAL HA H 3.674 0.01 1 1088 . 97 VAL C C 175.589 0.1 1 1089 . 97 VAL CB C 32.327 0.1 1 1090 . 97 VAL HB H 1.137 0.01 1 1091 . 97 VAL CG1 C 20.291 0.1 1 1092 . 97 VAL HG1 H -0.159 0.01 1 1093 . 97 VAL CG2 C 23.496 0.1 1 1094 . 97 VAL HG2 H -0.511 0.01 1 1095 . 98 LYS H H 6.951 0.01 1 1096 . 98 LYS N N 119.01 0.1 1 1097 . 98 LYS CA C 60.651 0.1 1 1098 . 98 LYS HA H 3.816 0.01 1 1099 . 98 LYS C C 174.042 0.1 1 1100 . 98 LYS CB C 31.077 0.1 1 1101 . 98 LYS HB2 H 1.815 0.01 1 1102 . 98 LYS HB3 H 1.722 0.01 1 1103 . 98 LYS CG C 25.762 0.1 1 1104 . 98 LYS HG2 H 1.429 0.01 1 1105 . 98 LYS HG3 H 1.266 0.01 1 1106 . 99 PRO N N 133.563 0.1 1 1107 . 99 PRO CA C 65.018 0.1 1 1108 . 99 PRO HA H 4.305 0.01 1 1109 . 99 PRO C C 176.750 0.1 1 1110 . 99 PRO CB C 31.077 0.1 1 1111 . 99 PRO HB2 H 2.156 0.01 1 1112 . 99 PRO HB3 H 1.067 0.01 1 1113 . 99 PRO CG C 27.951 0.1 1 1114 . 99 PRO HG2 H 1.92 0.01 1 1115 . 99 PRO HG3 H 1.862 0.01 1 1116 . 99 PRO CD C 50.359 0.1 1 1117 . 99 PRO HD2 H 3.804 0.01 1 1118 . 99 PRO HD3 H 3.136 0.01 1 1119 . 100 PHE H H 8.203 0.01 1 1120 . 100 PHE N N 114.009 0.1 1 1121 . 100 PHE CA C 58.0 0.1 1 1122 . 100 PHE HA H 4.516 0.01 1 1123 . 100 PHE C C 175.525 0.1 1 1124 . 100 PHE CB C 40.067 0.1 1 1125 . 100 PHE HB2 H 3.604 0.01 1 1126 . 100 PHE HB3 H 3.008 0.01 1 1127 . 100 PHE CD1 C 132.007 0.1 1 1128 . 100 PHE HD1 H 7.368 0.01 2 1129 . 100 PHE CD2 C 132.007 0.1 1 1130 . 100 PHE CE1 C 131.568 0.1 1 1131 . 100 PHE HE1 H 7.515 0.01 2 1132 . 100 PHE CE2 C 131.568 0.1 1 1133 . 100 PHE CZ C 129.704 0.1 1 1134 . 100 PHE HZ H 7.39 0.01 1 1135 . 101 VAL H H 7.4 0.01 1 1136 . 101 VAL N N 117.76 0.1 1 1137 . 101 VAL CA C 61.899 0.1 1 1138 . 101 VAL HA H 4.2 0.01 1 1139 . 101 VAL C C 175.009 0.1 1 1140 . 101 VAL CB C 32.894 0.1 1 1141 . 101 VAL HB H 2.049 0.01 1 1142 . 101 VAL CG1 C 20.526 0.1 1 1143 . 101 VAL HG1 H 0.833 0.01 1 1144 . 101 VAL CG2 C 21.463 0.1 1 1145 . 101 VAL HG2 H 0.833 0.01 1 1146 . 102 HIS H H 8.373 0.01 1 1147 . 102 HIS N N 122.76 0.1 1 1148 . 102 HIS CA C 53.478 0.1 1 1149 . 102 HIS HA H 4.961 0.01 1 1150 . 102 HIS C C 172.816 0.1 1 1151 . 102 HIS CB C 29.826 0.1 1 1152 . 102 HIS HB2 H 3.171 0.01 1 1153 . 102 HIS HB3 H 3.056 0.01 1 1154 . 102 HIS CD2 C 120.161 0.1 1 1155 . 102 HIS HD2 H 7.158 0.01 1 1156 . 102 HIS CE1 C 137.931 0.1 1 1157 . 102 HIS HE1 H 8.136 0.01 1 1158 . 103 PRO N N 137.186 0.1 1 1159 . 103 PRO CA C 62.834 0.1 1 1160 . 103 PRO HA H 4.457 0.01 1 1161 . 103 PRO C C 176.492 0.1 1 1162 . 103 PRO CB C 32.015 0.1 1 1163 . 103 PRO HB2 H 2.292 0.01 1 1164 . 103 PRO HB3 H 1.908 0.01 1 1165 . 103 PRO CG C 27.003 0.1 1 1166 . 103 PRO HG2 H 2.292 0.01 2 1167 . 103 PRO CD C 50.535 0.1 1 1168 . 103 PRO HD2 H 3.727 0.01 1 1169 . 103 PRO HD3 H 3.524 0.01 1 1170 . 104 LYS H H 8.459 0.01 1 1171 . 104 LYS N N 123.261 0.1 1 1172 . 104 LYS CA C 54.102 0.1 1 1173 . 104 LYS HA H 4.597 0.01 1 1174 . 104 LYS C C 174.170 0.1 1 1175 . 104 LYS CB C 32.434 0.1 1 1176 . 104 LYS HB2 H 1.827 0.01 1 1177 . 104 LYS HB3 H 1.733 0.01 1 1178 . 105 PRO N N 138.669 0.1 1 1179 . 105 PRO CA C 62.055 0.1 1 1180 . 105 PRO HA H 5.053 0.01 1 1181 . 105 PRO C C 174.042 0.1 1 1182 . 105 PRO CB C 32.891 0.1 1 1183 . 105 PRO CD C 50.203 0.1 1 1184 . 105 PRO HD2 H 3.814 0.01 1 1185 . 105 PRO HD3 H 3.619 0.01 1 1186 . 106 PRO N N 134.551 0.1 1 1187 . 106 PRO CA C 61.275 0.1 1 1188 . 106 PRO HA H 4.708 0.01 1 1189 . 106 PRO C C 174.170 0.1 1 1190 . 106 PRO CB C 30.764 0.1 1 1191 . 106 PRO HB2 H 2.037 0.01 1 1192 . 106 PRO HB3 H 1.897 0.01 1 1193 . 106 PRO HG2 H 2.329 0.01 2 1194 . 106 PRO CD C 50.486 0.1 1 1195 . 106 PRO HD2 H 3.808 0.01 1 1196 . 106 PRO HD3 H 3.639 0.01 1 1197 . 107 PRO N N 136.198 0.1 1 1198 . 107 PRO CA C 61.219 0.1 1 1199 . 107 PRO HA H 4.708 0.01 1 1200 . 108 PRO N N 134.551 0.1 1 1201 . 108 PRO CA C 62.523 0.1 1 1202 . 108 PRO HA H 4.422 0.01 1 1203 . 108 PRO C C 176.592 0.1 1 1204 . 108 PRO CB C 31.709 0.1 1 1205 . 108 PRO HB2 H 2.267 0.01 1 1206 . 108 PRO HB3 H 2.01 0.01 1 1207 . 108 PRO CG C 27.003 0.1 1 1208 . 108 PRO HG2 H 1.908 0.01 2 1209 . 108 PRO CD C 50.065 0.1 1 1210 . 108 PRO HD2 H 3.804 0.01 1 1211 . 108 PRO HD3 H 3.804 0.01 1 1212 . 109 LEU H H 8.234 0.01 1 1213 . 109 LEU N N 123.511 0.1 1 1214 . 109 LEU CA C 52.698 0.1 1 1215 . 109 LEU HA H 4.597 0.01 1 1216 . 109 LEU C C 175.138 0.1 1 1217 . 109 LEU CB C 41.783 0.1 1 1218 . 109 LEU HB2 H 1.56 0.01 2 1219 . 109 LEU CG C 23.417 0.1 1 1220 . 109 LEU HG H 0.915 0.01 1 1221 . 110 PRO N N 137.351 0.1 1 1222 . 110 PRO CA C 61.377 0.1 1 1223 . 110 PRO HA H 4.708 0.01 1 1224 . 110 PRO C C 174.686 0.1 1 1225 . 110 PRO CB C 31.077 0.1 1 1226 . 110 PRO HB2 H 2.294 0.01 1 1227 . 110 PRO HB3 H 2.037 0.01 1 1228 . 110 PRO CD C 50.407 0.1 1 1229 . 110 PRO HD2 H 3.873 0.01 1 1230 . 110 PRO HD3 H 3.215 0.01 1 1231 . 111 PRO CA C 62.834 0.1 1 1232 . 111 PRO HA H 4.445 0.01 1 1233 . 111 PRO C C 176.943 0.1 1 1234 . 111 PRO CB C 31.945 0.1 1 1235 . 111 PRO HB2 H 2.292 0.01 1 1236 . 111 PRO HB3 H 1.934 0.01 1 1237 . 111 PRO CG C 27.238 0.1 1 1238 . 111 PRO HG2 H 2.036 0.01 2 1239 . 111 PRO CD C 50.359 0.1 1 1240 . 111 PRO HD2 H 3.826 0.01 1 1241 . 111 PRO HD3 H 3.674 0.01 1 1242 . 112 SER H H 8.297 0.01 1 1243 . 112 SER N N 116.01 0.1 1 1244 . 112 SER CA C 58.0 0.1 1 1245 . 112 SER HA H 4.414 0.01 1 1246 . 112 SER C C 173.848 0.1 1 1247 . 112 SER CB C 63.77 0.1 1 1248 . 112 SER HB2 H 3.861 0.01 1 1249 . 112 SER HB3 H 3.672 0.01 1 1250 . 113 ALA H H 8.266 0.01 1 1251 . 113 ALA N N 127.011 0.1 1 1252 . 113 ALA CA C 50.359 0.1 1 1253 . 113 ALA HA H 4.621 0.01 1 1254 . 113 ALA C C 175.396 0.1 1 1255 . 113 ALA CB C 18.337 0.1 1 1256 . 113 ALA HB H 1.371 0.01 1 1257 . 114 PRO N N 135.539 0.1 1 1258 . 114 PRO CA C 62.834 0.1 1 1259 . 114 PRO HA H 4.445 0.01 1 1260 . 114 PRO C C 176.592 0.1 1 1261 . 114 PRO CB C 31.945 0.1 1 1262 . 114 PRO HB2 H 2.292 0.01 1 1263 . 114 PRO HB3 H 1.908 0.01 1 1264 . 114 PRO CG C 27.325 0.1 1 1265 . 114 PRO HG2 H 2.014 0.01 2 1266 . 114 PRO CD C 50.359 0.1 1 1267 . 114 PRO HD2 H 3.779 0.01 1 1268 . 114 PRO HD3 H 3.639 0.01 1 1269 . 115 SER H H 8.359 0.01 1 1270 . 115 SER N N 116.26 0.1 1 1271 . 115 SER CA C 57.831 0.1 1 1272 . 115 SER HA H 4.422 0.01 1 1273 . 115 SER C C 172.881 0.1 1 1274 . 115 SER CB C 63.77 0.1 1 1275 . 115 SER HB2 H 3.826 0.01 1 1276 . 115 SER HB3 H 3.634 0.01 1 1277 . 116 LEU H H 7.96 0.01 1 1278 . 116 LEU N N 122.76 0.1 1 1279 . 116 LEU CA C 52.387 0.1 1 1280 . 116 LEU HA H 4.399 0.01 1 1281 . 116 LEU C C 175.654 0.1 1 1282 . 116 LEU CB C 42.718 0.1 1 1283 . 116 LEU HB2 H 1.57 0.01 2 1284 . 116 LEU HD1 H 0.905 0.01 1 1285 . 116 LEU HD2 H 0.905 0.01 1 1286 . 116 LEU HG H 1.412 0.01 1 1287 . 117 PRO CA C 62.772 0.1 1 1288 . 117 PRO HA H 4.445 0.01 1 1289 . 117 PRO C C 176.592 0.1 1 1290 . 117 PRO CB C 31.709 0.1 1 1291 . 117 PRO HB2 H 2.267 0.01 1 1292 . 117 PRO HB3 H 1.908 0.01 1 1293 . 117 PRO CG C 27.325 0.1 1 1294 . 117 PRO HG2 H 2.045 0.01 2 1295 . 117 PRO CD C 50.3 0.1 1 1296 . 117 PRO HD2 H 3.83 0.01 1 1297 . 117 PRO HD3 H 3.651 0.01 1 1298 . 118 LEU H H 8.283 0.01 1 1299 . 118 LEU N N 122.51 0.1 1 1300 . 118 LEU CA C 54.882 0.1 1 1301 . 118 LEU HA H 4.305 0.01 1 1302 . 118 LEU C C 177.201 0.1 1 1303 . 118 LEU CB C 42.299 0.1 1 1304 . 118 LEU HB2 H 1.6 0.01 2 1305 . 118 LEU CG C 26.934 0.1 1 1306 . 118 LEU CD1 C 23.473 0.1 1 1307 . 118 LEU CD2 C 24.824 0.1 1 1308 . 118 LEU HG H 0.927 0.01 1 1309 . 119 GLU H H 8.24 0.01 1 1310 . 119 GLU N N 123.261 0.1 1 1311 . 119 GLU CA C 53.946 0.1 1 1312 . 119 GLU HA H 4.609 0.01 1 1313 . 119 GLU C C 173.848 0.1 1 1314 . 119 GLU CB C 29.983 0.1 1 1315 . 119 GLU HB2 H 1.885 0.01 2 1316 . 119 GLU CG C 35.857 0.1 1 1317 . 119 GLU HG2 H 2.365 0.01 2 1318 . 119 GLU CD C 184.037 0.1 1 1319 . 120 PRO N N 135.869 0.1 1 1320 . 120 PRO CA C 62.834 0.1 1 1321 . 120 PRO HA H 4.41 0.01 1 1322 . 120 PRO C C 175.525 0.1 1 1323 . 120 PRO CB C 31.9 0.1 1 1324 . 120 PRO HB2 H 2.277 0.01 1 1325 . 120 PRO HB3 H 1.909 0.01 1 1326 . 120 PRO CD C 50.486 0.1 1 1327 . 120 PRO HD2 H 3.838 0.01 1 1328 . 120 PRO HD3 H 3.645 0.01 1 1329 . 121 PRO CA C 62.834 0.1 1 1330 . 121 PRO HA H 4.399 0.01 1 1331 . 121 PRO CB C 31.709 0.1 1 1332 . 121 PRO HB2 H 2.318 0.01 1 1333 . 121 PRO HB3 H 1.908 0.01 1 1334 . 121 PRO CG C 27.238 0.1 1 1335 . 121 PRO HG2 H 2.072 0.01 2 1336 . 121 PRO CD C 50.3 0.1 1 1337 . 121 PRO HD2 H 3.83 0.01 1 1338 . 121 PRO HD3 H 3.625 0.01 1 1339 . 122 ARG H H 8.47 0.01 1 1340 . 122 ARG N N 121.76 0.1 1 1341 . 122 ARG CA C 55.817 0.1 1 1342 . 122 ARG HA H 4.364 0.01 1 1343 . 122 ARG C C 176.427 0.1 1 1344 . 122 ARG CB C 30.768 0.1 1 1345 . 122 ARG HB2 H 1.882 0.01 1 1346 . 122 ARG HB3 H 1.788 0.01 1 1347 . 122 ARG CG C 27.003 0.1 1 1348 . 122 ARG HG2 H 1.677 0.01 2 1349 . 122 ARG CD C 43.342 0.1 1 1350 . 122 ARG HD2 H 3.218 0.01 2 1351 . 123 SER H H 8.4 0.01 1 1352 . 123 SER N N 117.01 0.1 1 1353 . 123 SER CA C 57.8 0.1 1 1354 . 123 SER HA H 4.527 0.01 1 1355 . 123 SER C C 174.170 0.1 1 1356 . 123 SER CB C 63.77 0.1 1 1357 . 123 SER HB2 H 3.861 0.01 2 1358 . 124 THR H H 8.219 0.01 1 1359 . 124 THR N N 118.51 0.1 1 1360 . 124 THR CA C 59.56 0.1 1 1361 . 124 THR HA H 4.609 0.01 1 1362 . 124 THR C C 172.236 0.1 1 1363 . 124 THR CB C 69.696 0.1 1 1364 . 124 THR HB H 4.09 0.01 1 1365 . 124 THR CG2 C 20.994 0.1 1 1366 . 124 THR HG2 H 1.265 0.01 1 1367 . 125 PRO N N 140.481 0.1 1 1368 . 125 PRO CA C 61.614 0.1 1 1369 . 125 PRO HA H 4.703 0.01 1 1370 . 125 PRO CB C 30.764 0.1 1 1371 . 125 PRO HB2 H 2.353 0.01 1 1372 . 125 PRO HB3 H 1.884 0.01 1 1373 . 125 PRO CD C 50.983 0.1 1 1374 . 125 PRO HD2 H 3.873 0.01 1 1375 . 125 PRO HD3 H 3.686 0.01 1 1376 . 126 PRO CA C 63.614 0.1 1 1377 . 126 PRO HA H 4.586 0.01 1 1378 . 126 PRO C C 175.976 0.1 1 1379 . 126 PRO CB C 32.821 0.1 1 1380 . 126 PRO CG C 23.708 0.1 1 1381 . 126 PRO CD C 49.424 0.1 1 1382 . 126 PRO HD2 H 3.358 0.01 1 1383 . 126 PRO HD3 H 3.054 0.01 1 1384 . 127 ARG H H 8.207 0.01 1 1385 . 127 ARG N N 123.011 0.1 1 1386 . 127 ARG CA C 56.889 0.1 1 1387 . 127 ARG HA H 4.329 0.01 1 1388 . 127 ARG C C 176.592 0.1 1 1389 . 127 ARG CB C 30.295 0.1 1 1390 . 127 ARG HB2 H 1.882 0.01 1 1391 . 127 ARG HB3 H 1.815 0.01 1 1392 . 127 ARG CG C 27.473 0.1 1 1393 . 127 ARG CD C 43.005 0.1 1 1394 . 127 ARG HD2 H 3.215 0.01 2 1395 . 128 SER H H 8.0 0.01 1 1396 . 128 SER N N 115.51 0.1 1 1397 . 128 SER CA C 57.831 0.1 1 1398 . 128 SER HA H 4.573 0.01 1 1399 . 128 SER C C 174.170 0.1 1 1400 . 128 SER CB C 63.714 0.1 1 1401 . 128 SER HB2 H 3.856 0.01 2 1402 . 129 SER H H 8.266 0.01 1 1403 . 129 SER N N 117.51 0.1 1 1404 . 129 SER CA C 57.831 0.1 1 1405 . 129 SER HA H 4.416 0.01 1 1406 . 129 SER C C 174.170 0.1 1 1407 . 129 SER CB C 63.714 0.1 1 1408 . 129 SER HB2 H 3.852 0.01 1 1409 . 129 SER HB3 H 3.643 0.01 1 1410 . 130 LEU H H 8.177 0.01 1 1411 . 130 LEU N N 123.761 0.1 1 1412 . 130 LEU CA C 55.477 0.1 1 1413 . 130 LEU HA H 4.197 0.01 1 1414 . 130 LEU C C 175.912 0.1 1 1415 . 130 LEU CB C 42.299 0.1 1 1416 . 130 LEU HB2 H 1.444 0.01 2 1417 . 130 LEU CG C 26.767 0.1 1 1418 . 130 LEU CD1 C 24.65 0.1 1 1419 . 130 LEU CD2 C 23.238 0.1 1 1420 . 130 LEU HG H 0.883 0.01 1 1421 . 131 TYR H H 7.489 0.01 1 1422 . 131 TYR N N 124.011 0.1 1 1423 . 131 TYR CA C 58.497 0.1 1 1424 . 131 TYR HA H 4.385 0.01 1 1425 . 131 TYR C C 180.297 0.1 1 1426 . 131 TYR CB C 39.444 0.1 1 1427 . 131 TYR HB2 H 3.078 0.01 1 1428 . 131 TYR HB3 H 2.856 0.01 1 1429 . 131 TYR CD1 C 133.214 0.1 1 1430 . 131 TYR HD1 H 7.099 0.01 2 1431 . 131 TYR CD2 C 133.214 0.1 1 1432 . 131 TYR CE1 C 117.748 0.1 1 1433 . 131 TYR HE1 H 6.813 0.01 2 1434 . 131 TYR CE2 C 117.748 0.1 1 stop_ save_