data_19164 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; solution structure of cerebral dopamine neurotrophic factor (CDNF) ; _BMRB_accession_number 19164 _BMRB_flat_file_name bmr19164.str _Entry_type original _Submission_date 2013-04-15 _Accession_date 2013-04-15 _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 Latge C. . . 2 Cabral K. m.s. . 3 Raymundo D. p. . 4 Foguel D. . . 5 Herrmann T. . . 6 Almeida Marcius da.silva. . 7 Al M. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 968 "13C chemical shifts" 709 "15N chemical shifts" 149 "T1 relaxation values" 81 "T2 relaxation values" 81 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-01-06 update author 'update sample and conditions' 2015-06-18 update author 'adding T1, T2 and NOE data' 2013-08-15 original author 'original release' stop_ _Original_release_date 2015-06-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; (1)H-, (13)C- and (15)N-NMR assignment of the N-terminal domain of human cerebral dopamine neurotrophic factor (CDNF). ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22528768 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Latge Cristiane . . 2 Cabral Katia M.S. . 3 Almeida Marcius S. . 4 Foguel Debora . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 101 _Page_last 103 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'cerebral dopamine neurotrophic factor (CDNF)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CEREBRAL DOPAMINE NEUROTROPHIC FACTOR' $CEREBRAL_DOPAMINE_NEUROTROPHIC_FACTOR stop_ _System_molecular_weight 18318.1787 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CEREBRAL_DOPAMINE_NEUROTROPHIC_FACTOR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CEREBRAL_DOPAMINE_NEUROTROPHIC_FACTOR _Molecular_mass 18318.1787 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 161 _Mol_residue_sequence ; QEAGGRPGADCEVCKEFLNR FYKSLIDRGVNFSLDTIEKE LISFCLDTKGKENRLCYYLG ATKDAATKILSEVTRPMSVH MPAMKICEKLKKLDSQICEL KYEKTLDLASVDLRKMRVAE LKQILHSWGEECRACAEKTD YVNLIQELAPKYAATHPKTE L ; loop_ _Residue_seq_code _Residue_label 1 GLN 2 GLU 3 ALA 4 GLY 5 GLY 6 ARG 7 PRO 8 GLY 9 ALA 10 ASP 11 CYS 12 GLU 13 VAL 14 CYS 15 LYS 16 GLU 17 PHE 18 LEU 19 ASN 20 ARG 21 PHE 22 TYR 23 LYS 24 SER 25 LEU 26 ILE 27 ASP 28 ARG 29 GLY 30 VAL 31 ASN 32 PHE 33 SER 34 LEU 35 ASP 36 THR 37 ILE 38 GLU 39 LYS 40 GLU 41 LEU 42 ILE 43 SER 44 PHE 45 CYS 46 LEU 47 ASP 48 THR 49 LYS 50 GLY 51 LYS 52 GLU 53 ASN 54 ARG 55 LEU 56 CYS 57 TYR 58 TYR 59 LEU 60 GLY 61 ALA 62 THR 63 LYS 64 ASP 65 ALA 66 ALA 67 THR 68 LYS 69 ILE 70 LEU 71 SER 72 GLU 73 VAL 74 THR 75 ARG 76 PRO 77 MET 78 SER 79 VAL 80 HIS 81 MET 82 PRO 83 ALA 84 MET 85 LYS 86 ILE 87 CYS 88 GLU 89 LYS 90 LEU 91 LYS 92 LYS 93 LEU 94 ASP 95 SER 96 GLN 97 ILE 98 CYS 99 GLU 100 LEU 101 LYS 102 TYR 103 GLU 104 LYS 105 THR 106 LEU 107 ASP 108 LEU 109 ALA 110 SER 111 VAL 112 ASP 113 LEU 114 ARG 115 LYS 116 MET 117 ARG 118 VAL 119 ALA 120 GLU 121 LEU 122 LYS 123 GLN 124 ILE 125 LEU 126 HIS 127 SER 128 TRP 129 GLY 130 GLU 131 GLU 132 CYS 133 ARG 134 ALA 135 CYS 136 ALA 137 GLU 138 LYS 139 THR 140 ASP 141 TYR 142 VAL 143 ASN 144 LEU 145 ILE 146 GLN 147 GLU 148 LEU 149 ALA 150 PRO 151 LYS 152 TYR 153 ALA 154 ALA 155 THR 156 HIS 157 PRO 158 LYS 159 THR 160 GLU 161 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP CDNF_HUMAN Q49AH0 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organ _Tissue _Cell_type $CEREBRAL_DOPAMINE_NEUROTROPHIC_FACTOR Human 9606 Eukaryota Metazoa Homo sapiens brain brain neuron stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_type _Vector_name $CEREBRAL_DOPAMINE_NEUROTROPHIC_FACTOR 'recombinant technology' 'escherichia coli' escherichia coli BL21(DE3) 'ROSETTA B 4' n/a pet25b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '[U-13C; U-15N], 0.7 mM; MES 20 mM; NaCl 150 mM; NaN3 5 mM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CEREBRAL_DOPAMINE_NEUROTROPHIC_FACTOR 0.7 mM '[U-13C; U-15N]' MES 20 mM 'natural abundance' NaCl 150 mM 'natural abundance' NaN3 5 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '[U-13C; U-15N], 0.65 mM; Sodium Phosphate 20 mM; NaCl 100 mM; NaN3 3 mM; EDTA 1 mM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CEREBRAL_DOPAMINE_NEUROTROPHIC_FACTOR 0.65 mM '[U-13C; U-15N]' 'Sodium Phosphate' 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' NaN3 3 mM 'natural abundance' EDTA 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Saveframe_category software _Name AutoDep _Version 4.3 loop_ _Task collection stop_ _Details . save_ save_UNIO _Saveframe_category software _Name UNIO _Version 10 loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_cns _Saveframe_category software _Name CNS _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details 'Using RECOORD scripts.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance-1000 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 1000 _Details . save_ save_Bruker_Avance-800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_Bruker_Avance-600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label $sample_2 save_ save_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label $sample_2 save_ save_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label $sample_1 save_ save_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _Sample_label $sample_1 save_ save_COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name COSY _Sample_label $sample_1 save_ save_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCACONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label $sample_1 save_ save_HBHACONH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _Sample_label $sample_1 save_ save_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _Sample_label $sample_1 save_ save_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label $sample_1 save_ save_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'pH [6.0], temp [298], pressure [1], ionStrength [170.0]' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 170.000 . mM pH 6.000 . pH pressure 1.000 . atm temperature 298.000 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details 'pH [6.0], temp [298], pressure [1], ionStrength [120.0]' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120.000 . mM pH 6.000 . pH pressure 1.000 . atm temperature 298.000 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details ; The 13C and 15N chemical shifts were referenced indirectly to DSS, using the absolute frequency ratios, which give corrections of 2.664 ppm and 0.127 ppm, for 13C and 15N, respectively. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 internal indirect . . . . DSS H 1 'methyl protons' ppm -0.103 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0.0 internal indirect . . . . 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_assigned_chem_shift_list _Saveframe_category assigned_chemical_shifts _Details ; Origin xeasy file /home/ccpn/svn_web/ccpnmrweb/webapps/uploads/E9dV1pY2vP0dM0dQ3kL8vY9rY9iX9iB0cH5rB8pU1pZ8xX8gE8wC0wQ3qA6u/CDNF-xeasy.prot Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4bit/ebi/shift.project.csh ; loop_ _Experiment_label NOESY TOCSY HSQC COSY HNCACB CBCACONH HBHACONH HNCO stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'CEREBRAL DOPAMINE NEUROTROPHIC FACTOR' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLN HA H 4.413 0.043 1 2 1 1 GLN HB2 H 2.125 0.043 1 3 1 1 GLN HB3 H 2.048 0.043 1 4 1 1 GLN HG2 H 2.406 0.043 1 5 1 1 GLN HG3 H 2.406 0.043 1 6 1 1 GLN HE21 H 7.615 0.043 1 7 1 1 GLN HE22 H 6.908 0.043 1 8 1 1 GLN C C 175.350 0.313 1 9 1 1 GLN CA C 56.022 0.313 1 10 1 1 GLN CB C 29.365 0.313 1 11 1 1 GLN CG C 33.595 0.313 1 12 1 1 GLN NE2 N 112.474 0.125 1 13 2 2 GLU H H 8.716 0.043 1 14 2 2 GLU HA H 4.307 0.043 1 15 2 2 GLU HB2 H 2.076 0.043 1 16 2 2 GLU HB3 H 1.974 0.043 1 17 2 2 GLU HG2 H 2.314 0.043 1 18 2 2 GLU HG3 H 2.314 0.043 1 19 2 2 GLU C C 176.206 0.313 1 20 2 2 GLU CA C 56.377 0.313 1 21 2 2 GLU CB C 30.074 0.313 1 22 2 2 GLU CG C 35.959 0.313 1 23 2 2 GLU N N 123.736 0.125 1 24 3 3 ALA H H 8.571 0.043 1 25 3 3 ALA HA H 4.367 0.043 1 26 3 3 ALA HB H 1.446 0.043 1 27 3 3 ALA C C 178.202 0.313 1 28 3 3 ALA CA C 52.598 0.313 1 29 3 3 ALA CB C 19.095 0.313 1 30 3 3 ALA N N 125.784 0.125 1 31 4 4 GLY H H 8.490 0.043 1 32 4 4 GLY HA2 H 4.001 0.043 1 33 4 4 GLY HA3 H 4.001 0.043 1 34 4 4 GLY C C 174.587 0.313 1 35 4 4 GLY CA C 45.137 0.313 1 36 4 4 GLY N N 108.365 0.125 1 37 5 5 GLY H H 8.277 0.043 1 38 5 5 GLY HA2 H 3.988 0.043 1 39 5 5 GLY HA3 H 3.988 0.043 1 40 5 5 GLY C C 173.691 0.313 1 41 5 5 GLY CA C 44.754 0.313 1 42 5 5 GLY N N 108.403 0.125 1 43 6 6 ARG H H 8.285 0.043 1 44 6 6 ARG HA H 4.686 0.043 1 45 6 6 ARG HB2 H 1.893 0.043 1 46 6 6 ARG HB3 H 1.780 0.043 1 47 6 6 ARG HG2 H 1.706 0.043 1 48 6 6 ARG HG3 H 1.706 0.043 1 49 6 6 ARG HD2 H 3.245 0.043 1 50 6 6 ARG HD3 H 3.245 0.043 1 51 6 6 ARG CA C 53.808 0.313 1 52 6 6 ARG CB C 29.975 0.313 1 53 6 6 ARG CG C 26.706 0.313 1 54 6 6 ARG CD C 43.242 0.313 1 55 6 6 ARG N N 121.465 0.125 1 56 7 7 PRO HA H 4.500 0.043 1 57 7 7 PRO HB2 H 2.356 0.043 1 58 7 7 PRO HB3 H 1.985 0.043 1 59 7 7 PRO HG2 H 2.096 0.043 1 60 7 7 PRO HG3 H 2.057 0.043 1 61 7 7 PRO HD2 H 3.872 0.043 1 62 7 7 PRO HD3 H 3.694 0.043 1 63 7 7 PRO C C 177.530 0.313 1 64 7 7 PRO CA C 63.140 0.313 1 65 7 7 PRO CB C 31.931 0.313 1 66 7 7 PRO CG C 27.085 0.313 1 67 7 7 PRO CD C 50.455 0.313 1 68 8 8 GLY H H 8.671 0.043 1 69 8 8 GLY HA2 H 3.991 0.043 1 70 8 8 GLY HA3 H 3.991 0.043 1 71 8 8 GLY C C 173.772 0.313 1 72 8 8 GLY CA C 45.176 0.313 1 73 8 8 GLY N N 109.714 0.125 1 74 9 9 ALA H H 8.210 0.043 1 75 9 9 ALA HA H 4.449 0.043 1 76 9 9 ALA HB H 1.438 0.043 1 77 9 9 ALA C C 176.878 0.313 1 78 9 9 ALA CA C 51.826 0.313 1 79 9 9 ALA CB C 19.093 0.313 1 80 9 9 ALA N N 123.980 0.125 1 81 10 10 ASP H H 8.269 0.043 1 82 10 10 ASP HA H 4.672 0.043 1 83 10 10 ASP HB2 H 2.774 0.043 1 84 10 10 ASP HB3 H 2.645 0.043 1 85 10 10 ASP CA C 54.404 0.313 1 86 10 10 ASP CB C 41.337 0.313 1 87 10 10 ASP N N 119.649 0.125 1 88 11 11 CYS HA H 4.593 0.043 1 89 11 11 CYS HB2 H 3.214 0.043 1 90 11 11 CYS HB3 H 3.214 0.043 1 91 11 11 CYS CA C 54.556 0.313 1 92 11 11 CYS CB C 40.218 0.313 1 93 12 12 GLU HA H 3.975 0.043 1 94 12 12 GLU HB2 H 2.494 0.043 1 95 12 12 GLU HB3 H 2.223 0.043 1 96 12 12 GLU HG2 H 2.462 0.043 1 97 12 12 GLU HG3 H 2.337 0.043 1 98 12 12 GLU CA C 61.279 0.313 1 99 12 12 GLU CB C 31.121 0.313 1 100 12 12 GLU CG C 36.735 0.313 1 101 13 13 VAL H H 7.046 0.043 1 102 13 13 VAL HA H 3.756 0.043 1 103 13 13 VAL HB H 1.693 0.043 1 104 13 13 VAL HG1 H 0.715 0.043 1 105 13 13 VAL HG2 H -0.058 0.043 1 106 13 13 VAL CA C 64.968 0.313 1 107 13 13 VAL CB C 31.059 0.313 1 108 13 13 VAL CG1 C 20.419 0.313 1 109 13 13 VAL CG2 C 21.011 0.313 1 110 13 13 VAL N N 117.280 0.125 1 111 14 14 CYS HA H 4.094 0.043 1 112 14 14 CYS HB2 H 3.238 0.043 1 113 14 14 CYS HB3 H 2.907 0.043 1 114 14 14 CYS CA C 61.445 0.313 1 115 14 14 CYS CB C 41.017 0.313 1 116 15 15 LYS HA H 4.062 0.043 1 117 15 15 LYS HB2 H 1.962 0.043 1 118 15 15 LYS HB3 H 1.914 0.043 1 119 15 15 LYS HG2 H 1.517 0.043 1 120 15 15 LYS HG3 H 1.662 0.043 1 121 15 15 LYS HD2 H 1.743 0.043 1 122 15 15 LYS HD3 H 1.743 0.043 1 123 15 15 LYS HE2 H 3.053 0.043 1 124 15 15 LYS HE3 H 3.053 0.043 1 125 15 15 LYS CA C 57.405 0.313 1 126 15 15 LYS CB C 32.162 0.313 1 127 15 15 LYS CG C 25.104 0.313 1 128 15 15 LYS CD C 28.898 0.313 1 129 15 15 LYS CE C 42.131 0.313 1 130 16 16 GLU HA H 4.341 0.043 1 131 16 16 GLU HB2 H 2.568 0.043 1 132 16 16 GLU HB3 H 2.568 0.043 1 133 16 16 GLU HG2 H 2.705 0.043 1 134 16 16 GLU HG3 H 2.564 0.043 1 135 16 16 GLU C C 179.607 0.313 1 136 16 16 GLU CA C 59.100 0.313 1 137 16 16 GLU CB C 29.258 0.313 1 138 16 16 GLU CG C 35.794 0.313 1 139 17 17 PHE H H 9.121 0.043 1 140 17 17 PHE HA H 4.323 0.043 1 141 17 17 PHE HB2 H 3.258 0.043 1 142 17 17 PHE HB3 H 3.087 0.043 1 143 17 17 PHE HD1 H 7.064 0.043 3 144 17 17 PHE HD2 H 7.064 0.043 3 145 17 17 PHE HE1 H 7.046 0.043 3 146 17 17 PHE HE2 H 7.046 0.043 3 147 17 17 PHE C C 177.438 0.313 1 148 17 17 PHE CA C 62.397 0.313 1 149 17 17 PHE CB C 40.343 0.313 1 150 17 17 PHE CD1 C 131.254 0.313 3 151 17 17 PHE CD2 C 131.254 0.313 3 152 17 17 PHE CE1 C 131.170 0.313 3 153 17 17 PHE CE2 C 131.170 0.313 3 154 17 17 PHE N N 120.772 0.125 1 155 18 18 LEU H H 8.511 0.043 1 156 18 18 LEU HA H 4.150 0.043 1 157 18 18 LEU HB2 H 2.197 0.043 1 158 18 18 LEU HB3 H 1.270 0.043 1 159 18 18 LEU HG H 2.304 0.043 1 160 18 18 LEU HD1 H 1.041 0.043 1 161 18 18 LEU HD2 H 0.917 0.043 1 162 18 18 LEU C C 179.515 0.313 1 163 18 18 LEU CA C 57.824 0.313 1 164 18 18 LEU CB C 40.872 0.313 1 165 18 18 LEU CG C 27.273 0.313 1 166 18 18 LEU CD1 C 26.736 0.313 1 167 18 18 LEU CD2 C 21.788 0.313 1 168 18 18 LEU N N 115.833 0.125 1 169 19 19 ASN H H 8.405 0.043 1 170 19 19 ASN HA H 4.884 0.043 1 171 19 19 ASN HB2 H 3.127 0.043 1 172 19 19 ASN HB3 H 2.886 0.043 1 173 19 19 ASN HD21 H 7.691 0.043 1 174 19 19 ASN HD22 H 7.045 0.043 1 175 19 19 ASN C C 177.917 0.313 1 176 19 19 ASN CA C 56.475 0.313 1 177 19 19 ASN CB C 38.250 0.313 1 178 19 19 ASN N N 117.708 0.125 1 179 19 19 ASN ND2 N 112.543 0.125 1 180 20 20 ARG H H 8.312 0.043 1 181 20 20 ARG HA H 4.127 0.043 1 182 20 20 ARG HB2 H 2.140 0.043 1 183 20 20 ARG HB3 H 2.140 0.043 1 184 20 20 ARG HG2 H 2.009 0.043 1 185 20 20 ARG HG3 H 1.805 0.043 1 186 20 20 ARG HD2 H 3.500 0.043 1 187 20 20 ARG HD3 H 3.448 0.043 1 188 20 20 ARG HE H 7.557 0.043 1 189 20 20 ARG C C 179.006 0.313 1 190 20 20 ARG CA C 60.183 0.313 1 191 20 20 ARG CB C 30.179 0.313 1 192 20 20 ARG CG C 29.204 0.313 1 193 20 20 ARG CD C 43.489 0.313 1 194 20 20 ARG N N 122.847 0.125 1 195 20 20 ARG NE N 83.343 0.125 1 196 21 21 PHE H H 8.439 0.043 1 197 21 21 PHE HA H 3.286 0.043 1 198 21 21 PHE HB2 H 2.632 0.043 1 199 21 21 PHE HB3 H 2.263 0.043 1 200 21 21 PHE HD1 H 6.181 0.043 3 201 21 21 PHE HD2 H 6.181 0.043 3 202 21 21 PHE HE1 H 6.883 0.043 3 203 21 21 PHE HE2 H 6.883 0.043 3 204 21 21 PHE HZ H 7.155 0.043 1 205 21 21 PHE C C 176.858 0.313 1 206 21 21 PHE CA C 58.946 0.313 1 207 21 21 PHE CB C 37.905 0.313 1 208 21 21 PHE CD1 C 131.237 0.313 3 209 21 21 PHE CD2 C 131.237 0.313 3 210 21 21 PHE CE1 C 130.785 0.313 3 211 21 21 PHE CE2 C 130.785 0.313 3 212 21 21 PHE CZ C 129.095 0.313 1 213 21 21 PHE N N 121.792 0.125 1 214 22 22 TYR H H 8.707 0.043 1 215 22 22 TYR HA H 3.797 0.043 1 216 22 22 TYR HB2 H 3.283 0.043 1 217 22 22 TYR HB3 H 3.095 0.043 1 218 22 22 TYR HD1 H 7.159 0.043 3 219 22 22 TYR HD2 H 7.159 0.043 3 220 22 22 TYR HE1 H 6.900 0.043 3 221 22 22 TYR HE2 H 6.900 0.043 3 222 22 22 TYR C C 177.438 0.313 1 223 22 22 TYR CA C 61.546 0.313 1 224 22 22 TYR CB C 38.162 0.313 1 225 22 22 TYR CD1 C 132.242 0.313 3 226 22 22 TYR CD2 C 132.242 0.313 3 227 22 22 TYR CE1 C 118.049 0.313 3 228 22 22 TYR CE2 C 118.049 0.313 3 229 22 22 TYR N N 120.028 0.125 1 230 23 23 LYS H H 7.938 0.043 1 231 23 23 LYS HA H 3.863 0.043 1 232 23 23 LYS HB2 H 1.931 0.043 1 233 23 23 LYS HB3 H 1.931 0.043 1 234 23 23 LYS HG2 H 1.584 0.043 1 235 23 23 LYS HG3 H 1.482 0.043 1 236 23 23 LYS HD2 H 1.768 0.043 1 237 23 23 LYS HD3 H 1.669 0.043 1 238 23 23 LYS HE2 H 3.005 0.043 1 239 23 23 LYS HE3 H 3.005 0.043 1 240 23 23 LYS C C 177.550 0.313 1 241 23 23 LYS CA C 59.043 0.313 1 242 23 23 LYS CB C 31.940 0.313 1 243 23 23 LYS CG C 25.142 0.313 1 244 23 23 LYS CD C 29.020 0.313 1 245 23 23 LYS CE C 42.093 0.313 1 246 23 23 LYS N N 116.431 0.125 1 247 24 24 SER H H 7.661 0.043 1 248 24 24 SER HA H 4.333 0.043 1 249 24 24 SER HB2 H 4.053 0.043 1 250 24 24 SER HB3 H 4.016 0.043 1 251 24 24 SER C C 176.807 0.313 1 252 24 24 SER CA C 61.027 0.313 1 253 24 24 SER CB C 62.589 0.313 1 254 24 24 SER N N 113.941 0.125 1 255 25 25 LEU H H 7.566 0.043 1 256 25 25 LEU HA H 3.687 0.043 1 257 25 25 LEU HB2 H 1.864 0.043 1 258 25 25 LEU HB3 H 0.898 0.043 1 259 25 25 LEU HG H 0.847 0.043 1 260 25 25 LEU HD1 H 0.224 0.043 1 261 25 25 LEU HD2 H -0.186 0.043 1 262 25 25 LEU C C 179.821 0.313 1 263 25 25 LEU CA C 57.369 0.313 1 264 25 25 LEU CB C 41.781 0.313 1 265 25 25 LEU CG C 25.389 0.313 1 266 25 25 LEU CD1 C 21.749 0.313 1 267 25 25 LEU CD2 C 25.482 0.313 1 268 25 25 LEU N N 119.734 0.125 1 269 26 26 ILE H H 8.086 0.043 1 270 26 26 ILE HA H 3.862 0.043 1 271 26 26 ILE HB H 1.973 0.043 1 272 26 26 ILE HG12 H 1.584 0.043 1 273 26 26 ILE HG13 H 1.202 0.043 1 274 26 26 ILE HG2 H 0.931 0.043 1 275 26 26 ILE HD1 H 0.727 0.043 1 276 26 26 ILE C C 180.737 0.313 1 277 26 26 ILE CA C 63.364 0.313 1 278 26 26 ILE CB C 37.197 0.313 1 279 26 26 ILE CG1 C 28.042 0.313 1 280 26 26 ILE CG2 C 16.891 0.313 1 281 26 26 ILE CD1 C 11.543 0.313 1 282 26 26 ILE N N 119.672 0.125 1 283 27 27 ASP H H 9.082 0.043 1 284 27 27 ASP HA H 4.385 0.043 1 285 27 27 ASP HB2 H 2.858 0.043 1 286 27 27 ASP HB3 H 2.663 0.043 1 287 27 27 ASP C C 178.660 0.313 1 288 27 27 ASP CA C 57.197 0.313 1 289 27 27 ASP CB C 39.980 0.313 1 290 27 27 ASP N N 122.442 0.125 1 291 28 28 ARG H H 7.584 0.043 1 292 28 28 ARG HA H 4.313 0.043 1 293 28 28 ARG HB2 H 2.010 0.043 1 294 28 28 ARG HB3 H 1.769 0.043 1 295 28 28 ARG HG2 H 1.966 0.043 1 296 28 28 ARG HG3 H 1.966 0.043 1 297 28 28 ARG HD2 H 3.295 0.043 1 298 28 28 ARG HD3 H 3.238 0.043 1 299 28 28 ARG HE H 6.626 0.043 1 300 28 28 ARG C C 177.061 0.313 1 301 28 28 ARG CA C 56.347 0.313 1 302 28 28 ARG CB C 31.463 0.313 1 303 28 28 ARG CG C 28.462 0.313 1 304 28 28 ARG CD C 43.622 0.313 1 305 28 28 ARG N N 115.375 0.125 1 306 28 28 ARG NE N 84.909 0.125 1 307 29 29 GLY H H 7.907 0.043 1 308 29 29 GLY HA2 H 3.994 0.043 1 309 29 29 GLY HA3 H 3.920 0.043 1 310 29 29 GLY C C 174.923 0.313 1 311 29 29 GLY CA C 46.546 0.313 1 312 29 29 GLY N N 110.023 0.125 1 313 30 30 VAL H H 7.698 0.043 1 314 30 30 VAL HA H 3.771 0.043 1 315 30 30 VAL HB H 1.752 0.043 1 316 30 30 VAL HG1 H 0.825 0.043 1 317 30 30 VAL HG2 H 0.790 0.043 1 318 30 30 VAL C C 175.157 0.313 1 319 30 30 VAL CA C 62.366 0.313 1 320 30 30 VAL CB C 32.180 0.313 1 321 30 30 VAL CG1 C 21.586 0.313 1 322 30 30 VAL CG2 C 21.833 0.313 1 323 30 30 VAL N N 118.743 0.125 1 324 31 31 ASN H H 8.497 0.043 1 325 31 31 ASN HA H 4.731 0.043 1 326 31 31 ASN HB2 H 2.893 0.043 1 327 31 31 ASN HB3 H 2.852 0.043 1 328 31 31 ASN HD21 H 7.700 0.043 1 329 31 31 ASN HD22 H 7.068 0.043 1 330 31 31 ASN C C 174.880 0.313 1 331 31 31 ASN CA C 53.322 0.313 1 332 31 31 ASN CB C 39.091 0.313 1 333 31 31 ASN N N 123.326 0.125 1 334 31 31 ASN ND2 N 113.240 0.125 1 335 32 32 PHE H H 8.794 0.043 1 336 32 32 PHE HA H 4.154 0.043 1 337 32 32 PHE HB2 H 3.281 0.043 1 338 32 32 PHE HB3 H 3.153 0.043 1 339 32 32 PHE HD1 H 7.337 0.043 3 340 32 32 PHE HD2 H 7.337 0.043 3 341 32 32 PHE HE1 H 7.042 0.043 3 342 32 32 PHE HE2 H 7.042 0.043 3 343 32 32 PHE HZ H 6.902 0.043 1 344 32 32 PHE C C 175.381 0.313 1 345 32 32 PHE CA C 58.528 0.313 1 346 32 32 PHE CB C 36.602 0.313 1 347 32 32 PHE CD1 C 131.030 0.313 3 348 32 32 PHE CD2 C 131.030 0.313 3 349 32 32 PHE CE1 C 131.093 0.313 3 350 32 32 PHE CE2 C 131.093 0.313 3 351 32 32 PHE CZ C 128.875 0.313 1 352 32 32 PHE N N 126.170 0.125 1 353 33 33 SER H H 7.699 0.043 1 354 33 33 SER HA H 4.748 0.043 1 355 33 33 SER HB2 H 4.136 0.043 1 356 33 33 SER HB3 H 3.987 0.043 1 357 33 33 SER C C 174.892 0.313 1 358 33 33 SER CA C 56.616 0.313 1 359 33 33 SER CB C 64.848 0.313 1 360 33 33 SER N N 116.015 0.125 1 361 34 34 LEU H H 8.938 0.043 1 362 34 34 LEU HA H 3.861 0.043 1 363 34 34 LEU HB2 H 1.792 0.043 1 364 34 34 LEU HB3 H 1.694 0.043 1 365 34 34 LEU HG H 1.802 0.043 1 366 34 34 LEU HD1 H 1.002 0.043 1 367 34 34 LEU HD2 H 0.940 0.043 1 368 34 34 LEU C C 178.314 0.313 1 369 34 34 LEU CA C 59.671 0.313 1 370 34 34 LEU CB C 41.367 0.313 1 371 34 34 LEU CG C 27.104 0.313 1 372 34 34 LEU CD1 C 24.761 0.313 1 373 34 34 LEU CD2 C 23.738 0.313 1 374 34 34 LEU N N 124.403 0.125 1 375 35 35 ASP H H 8.572 0.043 1 376 35 35 ASP HA H 4.387 0.043 1 377 35 35 ASP HB2 H 2.689 0.043 1 378 35 35 ASP HB3 H 2.658 0.043 1 379 35 35 ASP C C 177.010 0.313 1 380 35 35 ASP CA C 56.858 0.313 1 381 35 35 ASP CB C 40.160 0.313 1 382 35 35 ASP N N 115.371 0.125 1 383 36 36 THR H H 7.589 0.043 1 384 36 36 THR HA H 4.024 0.043 1 385 36 36 THR HB H 4.291 0.043 1 386 36 36 THR HG2 H 1.295 0.043 1 387 36 36 THR C C 176.012 0.313 1 388 36 36 THR CA C 65.896 0.313 1 389 36 36 THR CB C 68.550 0.313 1 390 36 36 THR CG2 C 23.153 0.313 1 391 36 36 THR N N 116.848 0.125 1 392 37 37 ILE H H 8.433 0.043 1 393 37 37 ILE HA H 3.373 0.043 1 394 37 37 ILE HB H 1.770 0.043 1 395 37 37 ILE HG12 H 1.585 0.043 1 396 37 37 ILE HG13 H 0.573 0.043 1 397 37 37 ILE HG2 H 0.934 0.043 1 398 37 37 ILE HD1 H 0.376 0.043 1 399 37 37 ILE C C 177.061 0.313 1 400 37 37 ILE CA C 65.800 0.313 1 401 37 37 ILE CB C 37.035 0.313 1 402 37 37 ILE CG1 C 28.676 0.313 1 403 37 37 ILE CG2 C 18.507 0.313 1 404 37 37 ILE CD1 C 12.799 0.313 1 405 37 37 ILE N N 120.728 0.125 1 406 38 38 GLU H H 8.121 0.043 1 407 38 38 GLU HA H 3.680 0.043 1 408 38 38 GLU HB2 H 2.277 0.043 1 409 38 38 GLU HB3 H 2.173 0.043 1 410 38 38 GLU HG2 H 2.185 0.043 1 411 38 38 GLU HG3 H 2.164 0.043 1 412 38 38 GLU C C 178.660 0.313 1 413 38 38 GLU CA C 60.957 0.313 1 414 38 38 GLU CB C 29.733 0.313 1 415 38 38 GLU CG C 37.085 0.313 1 416 38 38 GLU N N 118.859 0.125 1 417 39 39 LYS H H 7.591 0.043 1 418 39 39 LYS HA H 3.995 0.043 1 419 39 39 LYS HB2 H 2.043 0.043 1 420 39 39 LYS HB3 H 1.988 0.043 1 421 39 39 LYS HG2 H 1.522 0.043 1 422 39 39 LYS HG3 H 1.522 0.043 1 423 39 39 LYS HD2 H 1.670 0.043 1 424 39 39 LYS HD3 H 1.670 0.043 1 425 39 39 LYS HE2 H 3.004 0.043 1 426 39 39 LYS HE3 H 3.004 0.043 1 427 39 39 LYS C C 180.452 0.313 1 428 39 39 LYS CA C 59.607 0.313 1 429 39 39 LYS CB C 32.279 0.313 1 430 39 39 LYS CG C 25.134 0.313 1 431 39 39 LYS CD C 28.877 0.313 1 432 39 39 LYS CE C 42.064 0.313 1 433 39 39 LYS N N 116.992 0.125 1 434 40 40 GLU H H 8.688 0.043 1 435 40 40 GLU HA H 4.205 0.043 1 436 40 40 GLU HB2 H 2.379 0.043 1 437 40 40 GLU HB3 H 2.160 0.043 1 438 40 40 GLU HG2 H 2.614 0.043 1 439 40 40 GLU HG3 H 2.082 0.043 1 440 40 40 GLU C C 178.864 0.313 1 441 40 40 GLU CA C 58.359 0.313 1 442 40 40 GLU CB C 28.437 0.313 1 443 40 40 GLU CG C 36.012 0.313 1 444 40 40 GLU N N 117.929 0.125 1 445 41 41 LEU H H 8.974 0.043 1 446 41 41 LEU HA H 3.557 0.043 1 447 41 41 LEU HB2 H 1.847 0.043 1 448 41 41 LEU HB3 H 1.297 0.043 1 449 41 41 LEU HG H 1.262 0.043 1 450 41 41 LEU HD1 H 0.671 0.043 1 451 41 41 LEU HD2 H 0.261 0.043 1 452 41 41 LEU C C 178.079 0.313 1 453 41 41 LEU CA C 57.747 0.313 1 454 41 41 LEU CB C 40.253 0.313 1 455 41 41 LEU CG C 26.545 0.313 1 456 41 41 LEU CD1 C 26.451 0.313 1 457 41 41 LEU CD2 C 21.091 0.313 1 458 41 41 LEU N N 125.924 0.125 1 459 42 42 ILE H H 7.884 0.043 1 460 42 42 ILE HA H 3.591 0.043 1 461 42 42 ILE HB H 1.925 0.043 1 462 42 42 ILE HG12 H 1.769 0.043 1 463 42 42 ILE HG13 H 1.083 0.043 1 464 42 42 ILE HG2 H 0.920 0.043 1 465 42 42 ILE HD1 H 0.871 0.043 1 466 42 42 ILE C C 179.373 0.313 1 467 42 42 ILE CA C 65.686 0.313 1 468 42 42 ILE CB C 37.723 0.313 1 469 42 42 ILE CG1 C 29.240 0.313 1 470 42 42 ILE CG2 C 16.895 0.313 1 471 42 42 ILE CD1 C 13.222 0.313 1 472 42 42 ILE N N 119.902 0.125 1 473 43 43 SER H H 7.788 0.043 1 474 43 43 SER HA H 4.281 0.043 1 475 43 43 SER HB2 H 4.091 0.043 1 476 43 43 SER HB3 H 4.054 0.043 1 477 43 43 SER C C 177.061 0.313 1 478 43 43 SER CA C 61.559 0.313 1 479 43 43 SER CB C 62.728 0.313 1 480 43 43 SER N N 114.093 0.125 1 481 44 44 PHE H H 9.051 0.043 1 482 44 44 PHE HA H 4.338 0.043 1 483 44 44 PHE HB2 H 3.552 0.043 1 484 44 44 PHE HB3 H 2.840 0.043 1 485 44 44 PHE HD1 H 7.113 0.043 3 486 44 44 PHE HD2 H 7.113 0.043 3 487 44 44 PHE HE1 H 6.844 0.043 3 488 44 44 PHE HE2 H 6.844 0.043 3 489 44 44 PHE HZ H 6.959 0.043 1 490 44 44 PHE C C 177.886 0.313 1 491 44 44 PHE CA C 61.095 0.313 1 492 44 44 PHE CB C 40.513 0.313 1 493 44 44 PHE CD1 C 132.338 0.313 3 494 44 44 PHE CD2 C 132.338 0.313 3 495 44 44 PHE CE1 C 130.923 0.313 3 496 44 44 PHE CE2 C 130.923 0.313 3 497 44 44 PHE CZ C 128.815 0.313 1 498 44 44 PHE N N 125.103 0.125 1 499 45 45 CYS H H 8.253 0.043 1 500 45 45 CYS HA H 4.614 0.043 1 501 45 45 CYS HB2 H 3.344 0.043 1 502 45 45 CYS HB3 H 2.820 0.043 1 503 45 45 CYS C C 176.878 0.313 1 504 45 45 CYS CA C 59.107 0.313 1 505 45 45 CYS CB C 42.523 0.313 1 506 45 45 CYS N N 112.885 0.125 1 507 46 46 LEU H H 7.773 0.043 1 508 46 46 LEU HA H 4.185 0.043 1 509 46 46 LEU HB2 H 1.973 0.043 1 510 46 46 LEU HB3 H 1.659 0.043 1 511 46 46 LEU HG H 1.979 0.043 1 512 46 46 LEU HD1 H 1.023 0.043 1 513 46 46 LEU HD2 H 0.961 0.043 1 514 46 46 LEU C C 177.784 0.313 1 515 46 46 LEU CA C 58.060 0.313 1 516 46 46 LEU CB C 42.119 0.313 1 517 46 46 LEU CG C 26.294 0.313 1 518 46 46 LEU CD1 C 24.789 0.313 1 519 46 46 LEU CD2 C 23.553 0.313 1 520 46 46 LEU N N 123.927 0.125 1 521 47 47 ASP H H 7.857 0.043 1 522 47 47 ASP HA H 4.922 0.043 1 523 47 47 ASP HB2 H 2.826 0.043 1 524 47 47 ASP HB3 H 2.565 0.043 1 525 47 47 ASP C C 176.216 0.313 1 526 47 47 ASP CA C 53.425 0.313 1 527 47 47 ASP CB C 40.301 0.313 1 528 47 47 ASP N N 116.910 0.125 1 529 48 48 THR H H 7.141 0.043 1 530 48 48 THR HA H 4.480 0.043 1 531 48 48 THR HB H 4.022 0.043 1 532 48 48 THR HG2 H 1.524 0.043 1 533 48 48 THR C C 174.628 0.313 1 534 48 48 THR CA C 60.766 0.313 1 535 48 48 THR CB C 73.395 0.313 1 536 48 48 THR CG2 C 23.718 0.313 1 537 48 48 THR N N 108.105 0.125 1 538 49 49 LYS H H 8.754 0.043 1 539 49 49 LYS HA H 4.735 0.043 1 540 49 49 LYS HB2 H 1.940 0.043 1 541 49 49 LYS HB3 H 1.755 0.043 1 542 49 49 LYS HG2 H 1.429 0.043 1 543 49 49 LYS HG3 H 1.429 0.043 1 544 49 49 LYS HD2 H 1.674 0.043 1 545 49 49 LYS HD3 H 1.674 0.043 1 546 49 49 LYS HE2 H 2.990 0.043 1 547 49 49 LYS HE3 H 2.990 0.043 1 548 49 49 LYS C C 177.275 0.313 1 549 49 49 LYS CA C 53.938 0.313 1 550 49 49 LYS CB C 36.517 0.313 1 551 49 49 LYS CG C 24.366 0.313 1 552 49 49 LYS CD C 28.956 0.313 1 553 49 49 LYS CE C 42.223 0.313 1 554 49 49 LYS N N 118.361 0.125 1 555 50 50 GLY H H 8.892 0.043 1 556 50 50 GLY HA2 H 4.130 0.043 1 557 50 50 GLY HA3 H 3.850 0.043 1 558 50 50 GLY C C 176.683 0.313 1 559 50 50 GLY CA C 46.763 0.313 1 560 50 50 GLY N N 109.090 0.125 1 561 51 51 LYS H H 9.310 0.043 1 562 51 51 LYS HA H 3.972 0.043 1 563 51 51 LYS HB2 H 1.910 0.043 1 564 51 51 LYS HB3 H 1.584 0.043 1 565 51 51 LYS HG2 H 1.864 0.043 1 566 51 51 LYS HG3 H 1.844 0.043 1 567 51 51 LYS HD2 H 1.586 0.043 1 568 51 51 LYS HD3 H 1.586 0.043 1 569 51 51 LYS HE2 H 3.206 0.043 1 570 51 51 LYS HE3 H 3.155 0.043 1 571 51 51 LYS C C 178.660 0.313 1 572 51 51 LYS CA C 58.110 0.313 1 573 51 51 LYS CB C 32.401 0.313 1 574 51 51 LYS CG C 24.737 0.313 1 575 51 51 LYS CD C 28.533 0.313 1 576 51 51 LYS CE C 42.338 0.313 1 577 51 51 LYS N N 126.155 0.125 1 578 52 52 GLU H H 8.230 0.043 1 579 52 52 GLU HA H 3.542 0.043 1 580 52 52 GLU HB2 H 2.244 0.043 1 581 52 52 GLU HB3 H 1.834 0.043 1 582 52 52 GLU HG2 H 2.932 0.043 1 583 52 52 GLU HG3 H 2.204 0.043 1 584 52 52 GLU C C 177.153 0.313 1 585 52 52 GLU CA C 59.352 0.313 1 586 52 52 GLU CB C 28.416 0.313 1 587 52 52 GLU CG C 38.519 0.313 1 588 52 52 GLU N N 116.565 0.125 1 589 53 53 ASN H H 6.847 0.043 1 590 53 53 ASN HA H 4.374 0.043 1 591 53 53 ASN HB2 H 2.515 0.043 1 592 53 53 ASN HB3 H 2.165 0.043 1 593 53 53 ASN HD21 H 7.214 0.043 1 594 53 53 ASN HD22 H 7.000 0.043 1 595 53 53 ASN C C 176.807 0.313 1 596 53 53 ASN CA C 56.851 0.313 1 597 53 53 ASN CB C 39.319 0.313 1 598 53 53 ASN N N 119.063 0.125 1 599 53 53 ASN ND2 N 111.978 0.125 1 600 54 54 ARG H H 7.471 0.043 1 601 54 54 ARG HA H 3.779 0.043 1 602 54 54 ARG HB2 H 1.852 0.043 1 603 54 54 ARG HB3 H 1.796 0.043 1 604 54 54 ARG HG2 H 1.640 0.043 1 605 54 54 ARG HG3 H 1.500 0.043 1 606 54 54 ARG HD2 H 3.029 0.043 1 607 54 54 ARG HD3 H 2.916 0.043 1 608 54 54 ARG C C 176.980 0.313 1 609 54 54 ARG CA C 57.339 0.313 1 610 54 54 ARG CB C 28.641 0.313 1 611 54 54 ARG CG C 25.371 0.313 1 612 54 54 ARG CD C 42.407 0.313 1 613 54 54 ARG N N 118.553 0.125 1 614 55 55 LEU H H 7.848 0.043 1 615 55 55 LEU HA H 3.821 0.043 1 616 55 55 LEU HB2 H 1.795 0.043 1 617 55 55 LEU HB3 H 1.233 0.043 1 618 55 55 LEU HG H 1.310 0.043 1 619 55 55 LEU HD1 H 0.887 0.043 1 620 55 55 LEU HD2 H 0.718 0.043 1 621 55 55 LEU C C 177.570 0.313 1 622 55 55 LEU CA C 58.459 0.313 1 623 55 55 LEU CB C 40.126 0.313 1 624 55 55 LEU CG C 26.702 0.313 1 625 55 55 LEU CD1 C 24.653 0.313 1 626 55 55 LEU CD2 C 28.505 0.313 1 627 55 55 LEU N N 118.727 0.125 1 628 56 56 CYS H H 7.751 0.043 1 629 56 56 CYS HA H 3.887 0.043 1 630 56 56 CYS HB2 H 3.399 0.043 1 631 56 56 CYS HB3 H 2.533 0.043 1 632 56 56 CYS C C 175.422 0.313 1 633 56 56 CYS CA C 62.894 0.313 1 634 56 56 CYS CB C 41.844 0.313 1 635 56 56 CYS N N 115.995 0.125 1 636 57 57 TYR H H 7.918 0.043 1 637 57 57 TYR HA H 4.154 0.043 1 638 57 57 TYR HB2 H 3.064 0.043 1 639 57 57 TYR HB3 H 2.930 0.043 1 640 57 57 TYR HD1 H 6.738 0.043 3 641 57 57 TYR HD2 H 6.738 0.043 3 642 57 57 TYR HE1 H 6.749 0.043 3 643 57 57 TYR HE2 H 6.749 0.043 3 644 57 57 TYR C C 179.383 0.313 1 645 57 57 TYR CA C 61.217 0.313 1 646 57 57 TYR CB C 36.898 0.313 1 647 57 57 TYR CD1 C 133.131 0.313 3 648 57 57 TYR CD2 C 133.131 0.313 3 649 57 57 TYR CE1 C 117.886 0.313 3 650 57 57 TYR CE2 C 117.886 0.313 3 651 57 57 TYR N N 121.867 0.125 1 652 58 58 TYR H H 8.336 0.043 1 653 58 58 TYR HA H 4.378 0.043 1 654 58 58 TYR HB2 H 3.105 0.043 1 655 58 58 TYR HB3 H 3.007 0.043 1 656 58 58 TYR HD1 H 7.018 0.043 3 657 58 58 TYR HD2 H 7.018 0.043 3 658 58 58 TYR HE1 H 6.741 0.043 3 659 58 58 TYR HE2 H 6.741 0.043 3 660 58 58 TYR C C 177.927 0.313 1 661 58 58 TYR CA C 58.920 0.313 1 662 58 58 TYR CB C 37.927 0.313 1 663 58 58 TYR CD1 C 131.761 0.313 3 664 58 58 TYR CD2 C 131.761 0.313 3 665 58 58 TYR CE1 C 117.945 0.313 3 666 58 58 TYR CE2 C 117.945 0.313 3 667 58 58 TYR N N 122.003 0.125 1 668 59 59 LEU H H 8.078 0.043 1 669 59 59 LEU HA H 4.127 0.043 1 670 59 59 LEU HB2 H 1.854 0.043 1 671 59 59 LEU HB3 H 1.495 0.043 1 672 59 59 LEU HG H 2.077 0.043 1 673 59 59 LEU HD1 H 0.780 0.043 1 674 59 59 LEU HD2 H 0.790 0.043 1 675 59 59 LEU C C 175.401 0.313 1 676 59 59 LEU CA C 55.048 0.313 1 677 59 59 LEU CB C 41.817 0.313 1 678 59 59 LEU CG C 25.724 0.313 1 679 59 59 LEU CD1 C 25.206 0.313 1 680 59 59 LEU CD2 C 22.867 0.313 1 681 59 59 LEU N N 114.500 0.125 1 682 60 60 GLY H H 7.561 0.043 1 683 60 60 GLY HA2 H 4.252 0.043 1 684 60 60 GLY HA3 H 3.664 0.043 1 685 60 60 GLY C C 174.821 0.313 1 686 60 60 GLY CA C 45.528 0.313 1 687 60 60 GLY N N 102.642 0.125 1 688 61 61 ALA H H 7.996 0.043 1 689 61 61 ALA HA H 4.411 0.043 1 690 61 61 ALA HB H 1.324 0.043 1 691 61 61 ALA C C 175.615 0.313 1 692 61 61 ALA CA C 51.173 0.313 1 693 61 61 ALA CB C 20.173 0.313 1 694 61 61 ALA N N 120.391 0.125 1 695 62 62 THR H H 7.156 0.043 1 696 62 62 THR HA H 4.530 0.043 1 697 62 62 THR HB H 4.425 0.043 1 698 62 62 THR HG2 H 1.009 0.043 1 699 62 62 THR C C 175.320 0.313 1 700 62 62 THR CA C 59.908 0.313 1 701 62 62 THR CB C 70.419 0.313 1 702 62 62 THR CG2 C 21.889 0.313 1 703 62 62 THR N N 106.938 0.125 1 704 63 63 LYS H H 8.628 0.043 1 705 63 63 LYS HA H 4.110 0.043 1 706 63 63 LYS HB2 H 1.860 0.043 1 707 63 63 LYS HB3 H 1.860 0.043 1 708 63 63 LYS HG2 H 1.463 0.043 1 709 63 63 LYS HG3 H 1.463 0.043 1 710 63 63 LYS HD2 H 1.690 0.043 1 711 63 63 LYS HD3 H 1.690 0.043 1 712 63 63 LYS HE2 H 3.000 0.043 1 713 63 63 LYS HE3 H 3.000 0.043 1 714 63 63 LYS C C 176.684 0.313 1 715 63 63 LYS CA C 58.140 0.313 1 716 63 63 LYS CB C 32.037 0.313 1 717 63 63 LYS CG C 24.415 0.313 1 718 63 63 LYS CD C 29.067 0.313 1 719 63 63 LYS CE C 42.031 0.313 1 720 63 63 LYS N N 121.357 0.125 1 721 64 64 ASP H H 8.447 0.043 1 722 64 64 ASP HA H 4.571 0.043 1 723 64 64 ASP HB2 H 2.784 0.043 1 724 64 64 ASP HB3 H 2.784 0.043 1 725 64 64 ASP C C 175.167 0.313 1 726 64 64 ASP CA C 53.794 0.313 1 727 64 64 ASP CB C 40.091 0.313 1 728 64 64 ASP N N 116.498 0.125 1 729 65 65 ALA H H 7.368 0.043 1 730 65 65 ALA HA H 4.095 0.043 1 731 65 65 ALA HB H 1.347 0.043 1 732 65 65 ALA C C 176.919 0.313 1 733 65 65 ALA CA C 52.549 0.313 1 734 65 65 ALA CB C 19.483 0.313 1 735 65 65 ALA N N 122.578 0.125 1 736 66 66 ALA H H 8.309 0.043 1 737 66 66 ALA HA H 4.459 0.043 1 738 66 66 ALA HB H 1.427 0.043 1 739 66 66 ALA C C 177.764 0.313 1 740 66 66 ALA CA C 52.572 0.313 1 741 66 66 ALA CB C 19.268 0.313 1 742 66 66 ALA N N 124.269 0.125 1 743 67 67 THR H H 7.734 0.043 1 744 67 67 THR HA H 4.501 0.043 1 745 67 67 THR HB H 4.295 0.043 1 746 67 67 THR HG2 H 1.217 0.043 1 747 67 67 THR C C 174.291 0.313 1 748 67 67 THR CA C 60.715 0.313 1 749 67 67 THR CB C 70.072 0.313 1 750 67 67 THR CG2 C 21.361 0.313 1 751 67 67 THR N N 111.751 0.125 1 752 68 68 LYS H H 8.494 0.043 1 753 68 68 LYS HA H 4.550 0.043 1 754 68 68 LYS HB2 H 1.982 0.043 1 755 68 68 LYS HB3 H 1.879 0.043 1 756 68 68 LYS HG2 H 1.493 0.043 1 757 68 68 LYS HG3 H 1.493 0.043 1 758 68 68 LYS HD2 H 1.725 0.043 1 759 68 68 LYS HD3 H 1.725 0.043 1 760 68 68 LYS HE2 H 3.038 0.043 1 761 68 68 LYS HE3 H 3.038 0.043 1 762 68 68 LYS CA C 56.435 0.313 1 763 68 68 LYS CB C 32.908 0.313 1 764 68 68 LYS CG C 24.596 0.313 1 765 68 68 LYS CD C 29.117 0.313 1 766 68 68 LYS CE C 42.297 0.313 1 767 68 68 LYS N N 121.777 0.125 1 768 69 69 ILE HA H 4.352 0.043 1 769 69 69 ILE HB H 1.989 0.043 1 770 69 69 ILE HG12 H 1.502 0.043 1 771 69 69 ILE HG13 H 1.213 0.043 1 772 69 69 ILE HG2 H 0.917 0.043 1 773 69 69 ILE HD1 H 0.866 0.043 1 774 69 69 ILE CA C 61.642 0.313 1 775 69 69 ILE CB C 37.673 0.313 1 776 69 69 ILE CG1 C 27.805 0.313 1 777 69 69 ILE CG2 C 17.684 0.313 1 778 69 69 ILE CD1 C 13.393 0.313 1 779 70 70 LEU HA H 4.129 0.043 1 780 70 70 LEU HB2 H 1.839 0.043 1 781 70 70 LEU HB3 H 1.664 0.043 1 782 70 70 LEU HG H 1.742 0.043 1 783 70 70 LEU HD1 H 0.896 0.043 1 784 70 70 LEU HD2 H 0.854 0.043 1 785 70 70 LEU CA C 58.616 0.313 1 786 70 70 LEU CB C 41.712 0.313 1 787 70 70 LEU CG C 26.796 0.313 1 788 70 70 LEU CD1 C 24.927 0.313 1 789 70 70 LEU CD2 C 25.139 0.313 1 790 71 71 SER HA H 4.808 0.043 1 791 71 71 SER HB2 H 3.962 0.043 1 792 71 71 SER HB3 H 3.962 0.043 1 793 71 71 SER CA C 60.556 0.313 1 794 71 71 SER CB C 62.582 0.313 1 795 72 72 GLU HA H 4.274 0.043 1 796 72 72 GLU HB2 H 2.090 0.043 1 797 72 72 GLU HB3 H 2.090 0.043 1 798 72 72 GLU HG2 H 2.309 0.043 1 799 72 72 GLU HG3 H 2.309 0.043 1 800 72 72 GLU C C 176.104 0.313 1 801 72 72 GLU CA C 56.603 0.313 1 802 72 72 GLU CB C 28.140 0.313 1 803 72 72 GLU CG C 35.989 0.313 1 804 73 73 VAL H H 7.801 0.043 1 805 73 73 VAL HA H 4.114 0.043 1 806 73 73 VAL HB H 2.267 0.043 1 807 73 73 VAL HG1 H 1.007 0.043 1 808 73 73 VAL HG2 H 1.081 0.043 1 809 73 73 VAL CA C 63.610 0.313 1 810 73 73 VAL CB C 33.080 0.313 1 811 73 73 VAL CG1 C 22.137 0.313 1 812 73 73 VAL CG2 C 23.451 0.313 1 813 73 73 VAL N N 114.771 0.125 1 814 74 74 THR HA H 3.775 0.043 1 815 74 74 THR HB H 4.218 0.043 1 816 74 74 THR HG2 H 1.244 0.043 1 817 74 74 THR CA C 65.537 0.313 1 818 74 74 THR CB C 67.454 0.313 1 819 74 74 THR CG2 C 22.564 0.313 1 820 75 75 ARG HA H 4.250 0.043 1 821 75 75 ARG HB2 H 1.856 0.043 1 822 75 75 ARG HB3 H 1.663 0.043 1 823 75 75 ARG HG2 H 2.098 0.043 1 824 75 75 ARG HG3 H 1.991 0.043 1 825 75 75 ARG HD2 H 3.247 0.043 1 826 75 75 ARG HD3 H 3.247 0.043 1 827 75 75 ARG CA C 61.383 0.313 1 828 75 75 ARG CB C 28.572 0.313 1 829 75 75 ARG CG C 26.774 0.313 1 830 75 75 ARG CD C 43.175 0.313 1 831 76 76 PRO HA H 4.492 0.043 1 832 76 76 PRO HB2 H 2.502 0.043 1 833 76 76 PRO HB3 H 1.868 0.043 1 834 76 76 PRO HG2 H 2.302 0.043 1 835 76 76 PRO HG3 H 2.035 0.043 1 836 76 76 PRO HD2 H 3.535 0.043 1 837 76 76 PRO HD3 H 3.535 0.043 1 838 76 76 PRO C C 179.108 0.313 1 839 76 76 PRO CA C 65.570 0.313 1 840 76 76 PRO CB C 30.892 0.313 1 841 76 76 PRO CG C 27.900 0.313 1 842 76 76 PRO CD C 50.041 0.313 1 843 77 77 MET H H 7.689 0.043 1 844 77 77 MET HA H 4.684 0.043 1 845 77 77 MET HB2 H 2.195 0.043 1 846 77 77 MET HB3 H 1.900 0.043 1 847 77 77 MET HG2 H 2.946 0.043 1 848 77 77 MET HG3 H 2.288 0.043 1 849 77 77 MET HE H 1.572 0.043 1 850 77 77 MET C C 179.413 0.313 1 851 77 77 MET CA C 59.340 0.313 1 852 77 77 MET CB C 32.463 0.313 1 853 77 77 MET CG C 33.559 0.313 1 854 77 77 MET CE C 17.312 0.313 1 855 77 77 MET N N 117.629 0.125 1 856 78 78 SER H H 8.281 0.043 1 857 78 78 SER HA H 4.231 0.043 1 858 78 78 SER HB2 H 4.066 0.043 1 859 78 78 SER HB3 H 3.998 0.043 1 860 78 78 SER C C 174.353 0.313 1 861 78 78 SER CA C 61.922 0.313 1 862 78 78 SER CB C 62.406 0.313 1 863 78 78 SER N N 114.579 0.125 1 864 79 79 VAL H H 6.999 0.043 1 865 79 79 VAL HA H 4.751 0.043 1 866 79 79 VAL HB H 2.626 0.043 1 867 79 79 VAL HG1 H 1.032 0.043 1 868 79 79 VAL HG2 H 0.974 0.043 1 869 79 79 VAL C C 175.809 0.313 1 870 79 79 VAL CA C 60.126 0.313 1 871 79 79 VAL CB C 30.214 0.313 1 872 79 79 VAL CG1 C 18.991 0.313 1 873 79 79 VAL CG2 C 21.361 0.313 1 874 79 79 VAL N N 111.333 0.125 1 875 80 80 HIS H H 8.282 0.043 1 876 80 80 HIS HA H 4.126 0.043 1 877 80 80 HIS HB2 H 3.252 0.043 1 878 80 80 HIS HB3 H 3.252 0.043 1 879 80 80 HIS C C 174.933 0.313 1 880 80 80 HIS CA C 56.699 0.313 1 881 80 80 HIS CB C 25.836 0.313 1 882 80 80 HIS N N 116.748 0.125 1 883 81 81 MET H H 8.003 0.043 1 884 81 81 MET HA H 4.526 0.043 1 885 81 81 MET HB2 H 2.022 0.043 1 886 81 81 MET HB3 H 1.616 0.043 1 887 81 81 MET HG2 H 2.739 0.043 1 888 81 81 MET HG3 H 2.698 0.043 1 889 81 81 MET HE H 2.090 0.043 1 890 81 81 MET CA C 54.873 0.313 1 891 81 81 MET CB C 33.214 0.313 1 892 81 81 MET CG C 31.639 0.313 1 893 81 81 MET CE C 16.404 0.313 1 894 81 81 MET N N 121.069 0.125 1 895 82 82 PRO HA H 4.349 0.043 1 896 82 82 PRO HB2 H 2.567 0.043 1 897 82 82 PRO HB3 H 1.886 0.043 1 898 82 82 PRO HG2 H 2.152 0.043 1 899 82 82 PRO HG3 H 2.152 0.043 1 900 82 82 PRO HD2 H 4.109 0.043 1 901 82 82 PRO HD3 H 3.602 0.043 1 902 82 82 PRO C C 177.723 0.313 1 903 82 82 PRO CA C 63.092 0.313 1 904 82 82 PRO CB C 32.614 0.313 1 905 82 82 PRO CG C 27.945 0.313 1 906 82 82 PRO CD C 50.992 0.313 1 907 83 83 ALA H H 9.188 0.043 1 908 83 83 ALA HA H 3.956 0.043 1 909 83 83 ALA HB H 1.615 0.043 1 910 83 83 ALA C C 179.026 0.313 1 911 83 83 ALA CA C 55.876 0.313 1 912 83 83 ALA CB C 19.339 0.313 1 913 83 83 ALA N N 126.626 0.125 1 914 84 84 MET H H 9.310 0.043 1 915 84 84 MET HA H 4.030 0.043 1 916 84 84 MET HB2 H 2.115 0.043 1 917 84 84 MET HB3 H 2.115 0.043 1 918 84 84 MET HG2 H 2.702 0.043 1 919 84 84 MET HG3 H 2.617 0.043 1 920 84 84 MET HE H 2.156 0.043 1 921 84 84 MET C C 177.458 0.313 1 922 84 84 MET CA C 58.716 0.313 1 923 84 84 MET CB C 32.114 0.313 1 924 84 84 MET CG C 32.038 0.313 1 925 84 84 MET CE C 17.860 0.313 1 926 84 84 MET N N 114.741 0.125 1 927 85 85 LYS H H 6.985 0.043 1 928 85 85 LYS HA H 4.204 0.043 1 929 85 85 LYS HB2 H 1.972 0.043 1 930 85 85 LYS HB3 H 1.972 0.043 1 931 85 85 LYS HG2 H 1.625 0.043 1 932 85 85 LYS HG3 H 1.625 0.043 1 933 85 85 LYS HD2 H 1.642 0.043 1 934 85 85 LYS HD3 H 1.642 0.043 1 935 85 85 LYS HE2 H 3.012 0.043 1 936 85 85 LYS HE3 H 3.012 0.043 1 937 85 85 LYS C C 179.434 0.313 1 938 85 85 LYS CA C 57.903 0.313 1 939 85 85 LYS CB C 31.664 0.313 1 940 85 85 LYS CG C 25.141 0.313 1 941 85 85 LYS CD C 28.808 0.313 1 942 85 85 LYS CE C 41.902 0.313 1 943 85 85 LYS N N 116.520 0.125 1 944 86 86 ILE H H 7.876 0.043 1 945 86 86 ILE HA H 3.624 0.043 1 946 86 86 ILE HB H 2.028 0.043 1 947 86 86 ILE HG12 H 0.887 0.043 1 948 86 86 ILE HG13 H 1.746 0.043 1 949 86 86 ILE HG2 H 0.977 0.043 1 950 86 86 ILE HD1 H 0.937 0.043 1 951 86 86 ILE C C 178.589 0.313 1 952 86 86 ILE CA C 66.152 0.313 1 953 86 86 ILE CB C 37.648 0.313 1 954 86 86 ILE CG1 C 28.136 0.313 1 955 86 86 ILE CG2 C 17.122 0.313 1 956 86 86 ILE CD1 C 13.886 0.313 1 957 86 86 ILE N N 120.617 0.125 1 958 87 87 CYS H H 8.643 0.043 1 959 87 87 CYS HA H 4.088 0.043 1 960 87 87 CYS HB2 H 3.260 0.043 1 961 87 87 CYS HB3 H 2.767 0.043 1 962 87 87 CYS CA C 61.931 0.313 1 963 87 87 CYS CB C 39.716 0.313 1 964 87 87 CYS N N 117.368 0.125 1 965 88 88 GLU H H 8.032 0.043 1 966 88 88 GLU HA H 3.948 0.043 1 967 88 88 GLU HB2 H 2.214 0.043 1 968 88 88 GLU HB3 H 2.092 0.043 1 969 88 88 GLU HG2 H 2.551 0.043 1 970 88 88 GLU HG3 H 2.274 0.043 1 971 88 88 GLU C C 178.904 0.313 1 972 88 88 GLU CA C 59.667 0.313 1 973 88 88 GLU CB C 29.628 0.313 1 974 88 88 GLU CG C 36.631 0.313 1 975 88 88 GLU N N 118.115 0.125 1 976 89 89 LYS H H 7.526 0.043 1 977 89 89 LYS HA H 4.141 0.043 1 978 89 89 LYS HB2 H 2.097 0.043 1 979 89 89 LYS HB3 H 2.097 0.043 1 980 89 89 LYS HG2 H 1.698 0.043 1 981 89 89 LYS HG3 H 1.507 0.043 1 982 89 89 LYS HD2 H 1.721 0.043 1 983 89 89 LYS HD3 H 1.721 0.043 1 984 89 89 LYS HE2 H 3.063 0.043 1 985 89 89 LYS HE3 H 2.995 0.043 1 986 89 89 LYS C C 180.004 0.313 1 987 89 89 LYS CA C 59.130 0.313 1 988 89 89 LYS CB C 31.565 0.313 1 989 89 89 LYS CG C 24.940 0.313 1 990 89 89 LYS CD C 28.993 0.313 1 991 89 89 LYS CE C 41.864 0.313 1 992 89 89 LYS N N 119.710 0.125 1 993 90 90 LEU H H 8.420 0.043 1 994 90 90 LEU HA H 3.971 0.043 1 995 90 90 LEU HB2 H 2.134 0.043 1 996 90 90 LEU HB3 H 1.481 0.043 1 997 90 90 LEU HG H 2.062 0.043 1 998 90 90 LEU HD1 H 0.872 0.043 1 999 90 90 LEU HD2 H 0.750 0.043 1 1000 90 90 LEU C C 178.599 0.313 1 1001 90 90 LEU CA C 57.311 0.313 1 1002 90 90 LEU CB C 40.959 0.313 1 1003 90 90 LEU CG C 25.989 0.313 1 1004 90 90 LEU CD1 C 26.211 0.313 1 1005 90 90 LEU CD2 C 22.038 0.313 1 1006 90 90 LEU N N 119.641 0.125 1 1007 91 91 LYS H H 8.217 0.043 1 1008 91 91 LYS HA H 3.874 0.043 1 1009 91 91 LYS HB2 H 1.951 0.043 1 1010 91 91 LYS HB3 H 2.300 0.043 1 1011 91 91 LYS HG2 H 1.381 0.043 1 1012 91 91 LYS HG3 H 1.505 0.043 1 1013 91 91 LYS HD2 H 1.754 0.043 1 1014 91 91 LYS HD3 H 1.754 0.043 1 1015 91 91 LYS HE2 H 3.012 0.043 1 1016 91 91 LYS HE3 H 3.012 0.043 1 1017 91 91 LYS C C 177.071 0.313 1 1018 91 91 LYS CA C 58.678 0.313 1 1019 91 91 LYS CB C 32.257 0.313 1 1020 91 91 LYS CG C 25.293 0.313 1 1021 91 91 LYS CD C 29.877 0.313 1 1022 91 91 LYS CE C 42.013 0.313 1 1023 91 91 LYS N N 119.157 0.125 1 1024 92 92 LYS H H 6.975 0.043 1 1025 92 92 LYS HA H 4.053 0.043 1 1026 92 92 LYS HB2 H 1.896 0.043 1 1027 92 92 LYS HB3 H 1.896 0.043 1 1028 92 92 LYS HG2 H 1.497 0.043 1 1029 92 92 LYS HG3 H 1.497 0.043 1 1030 92 92 LYS HD2 H 1.657 0.043 1 1031 92 92 LYS HD3 H 1.657 0.043 1 1032 92 92 LYS HE2 H 3.032 0.043 1 1033 92 92 LYS HE3 H 3.032 0.043 1 1034 92 92 LYS C C 177.479 0.313 1 1035 92 92 LYS CA C 57.350 0.313 1 1036 92 92 LYS CB C 31.934 0.313 1 1037 92 92 LYS CG C 24.966 0.313 1 1038 92 92 LYS CD C 28.929 0.313 1 1039 92 92 LYS CE C 42.139 0.313 1 1040 92 92 LYS N N 113.688 0.125 1 1041 93 93 LEU H H 7.448 0.043 1 1042 93 93 LEU HA H 4.299 0.043 1 1043 93 93 LEU HB2 H 1.883 0.043 1 1044 93 93 LEU HB3 H 1.573 0.043 1 1045 93 93 LEU HG H 1.759 0.043 1 1046 93 93 LEU HD1 H 0.937 0.043 1 1047 93 93 LEU HD2 H 0.876 0.043 1 1048 93 93 LEU C C 177.693 0.313 1 1049 93 93 LEU CA C 56.126 0.313 1 1050 93 93 LEU CB C 42.100 0.313 1 1051 93 93 LEU CG C 26.813 0.313 1 1052 93 93 LEU CD1 C 25.682 0.313 1 1053 93 93 LEU CD2 C 22.719 0.313 1 1054 93 93 LEU N N 119.142 0.125 1 1055 94 94 ASP H H 7.908 0.043 1 1056 94 94 ASP HA H 4.566 0.043 1 1057 94 94 ASP HB2 H 2.546 0.043 1 1058 94 94 ASP HB3 H 2.546 0.043 1 1059 94 94 ASP C C 176.196 0.313 1 1060 94 94 ASP CA C 54.175 0.313 1 1061 94 94 ASP CB C 41.033 0.313 1 1062 94 94 ASP N N 116.828 0.125 1 1063 95 95 SER H H 8.902 0.043 1 1064 95 95 SER HA H 4.190 0.043 1 1065 95 95 SER HB2 H 4.010 0.043 1 1066 95 95 SER HB3 H 4.010 0.043 1 1067 95 95 SER C C 177.224 0.313 1 1068 95 95 SER CA C 61.313 0.313 1 1069 95 95 SER CB C 62.568 0.313 1 1070 95 95 SER N N 122.474 0.125 1 1071 96 96 GLN H H 8.603 0.043 1 1072 96 96 GLN HA H 3.870 0.043 1 1073 96 96 GLN HB2 H 1.668 0.043 1 1074 96 96 GLN HB3 H 1.433 0.043 1 1075 96 96 GLN HG2 H 2.291 0.043 1 1076 96 96 GLN HG3 H 2.125 0.043 1 1077 96 96 GLN HE21 H 7.976 0.043 1 1078 96 96 GLN HE22 H 6.692 0.043 1 1079 96 96 GLN C C 178.589 0.313 1 1080 96 96 GLN CA C 58.185 0.313 1 1081 96 96 GLN CB C 28.324 0.313 1 1082 96 96 GLN CG C 34.374 0.313 1 1083 96 96 GLN N N 120.807 0.125 1 1084 96 96 GLN NE2 N 113.114 0.125 1 1085 97 97 ILE H H 7.467 0.043 1 1086 97 97 ILE HA H 3.413 0.043 1 1087 97 97 ILE HB H 1.741 0.043 1 1088 97 97 ILE HG12 H 1.557 0.043 1 1089 97 97 ILE HG13 H 0.929 0.043 1 1090 97 97 ILE HG2 H 0.871 0.043 1 1091 97 97 ILE HD1 H 0.972 0.043 1 1092 97 97 ILE C C 174.475 0.313 1 1093 97 97 ILE CA C 65.703 0.313 1 1094 97 97 ILE CB C 38.250 0.313 1 1095 97 97 ILE CG1 C 31.575 0.313 1 1096 97 97 ILE CG2 C 16.699 0.313 1 1097 97 97 ILE CD1 C 14.716 0.313 1 1098 97 97 ILE N N 117.402 0.125 1 1099 98 98 CYS H H 7.403 0.043 1 1100 98 98 CYS HA H 5.071 0.043 1 1101 98 98 CYS HB2 H 3.401 0.043 1 1102 98 98 CYS HB3 H 3.401 0.043 1 1103 98 98 CYS C C 173.362 0.313 1 1104 98 98 CYS CA C 61.973 0.313 1 1105 98 98 CYS CB C 48.586 0.313 1 1106 98 98 CYS N N 113.576 0.125 1 1107 99 99 GLU H H 7.310 0.043 1 1108 99 99 GLU HA H 4.322 0.043 1 1109 99 99 GLU HB2 H 1.943 0.043 1 1110 99 99 GLU HB3 H 1.943 0.043 1 1111 99 99 GLU HG2 H 2.287 0.043 1 1112 99 99 GLU HG3 H 2.287 0.043 1 1113 99 99 GLU CA C 56.726 0.313 1 1114 99 99 GLU CB C 29.979 0.313 1 1115 99 99 GLU CG C 36.012 0.313 1 1116 99 99 GLU N N 119.261 0.125 1 1117 100 100 LEU H H 6.502 0.043 1 1118 100 100 LEU HA H 4.298 0.043 1 1119 100 100 LEU HB2 H 1.818 0.043 1 1120 100 100 LEU HB3 H 1.037 0.043 1 1121 100 100 LEU HG H 2.013 0.043 1 1122 100 100 LEU HD1 H 1.028 0.043 1 1123 100 100 LEU HD2 H 1.011 0.043 1 1124 100 100 LEU CA C 55.682 0.313 1 1125 100 100 LEU CB C 42.682 0.313 1 1126 100 100 LEU CG C 25.925 0.313 1 1127 100 100 LEU CD1 C 26.587 0.313 1 1128 100 100 LEU CD2 C 23.731 0.313 1 1129 100 100 LEU N N 115.779 0.125 1 1130 101 101 LYS H H 8.740 0.043 1 1131 101 101 LYS HA H 4.598 0.043 1 1132 101 101 LYS HB2 H 2.021 0.043 1 1133 101 101 LYS HB3 H 1.718 0.043 1 1134 101 101 LYS HG2 H 1.520 0.043 1 1135 101 101 LYS HG3 H 1.520 0.043 1 1136 101 101 LYS HD2 H 1.700 0.043 1 1137 101 101 LYS HD3 H 1.700 0.043 1 1138 101 101 LYS HE2 H 3.070 0.043 1 1139 101 101 LYS HE3 H 3.070 0.043 1 1140 101 101 LYS C C 175.310 0.313 1 1141 101 101 LYS CA C 55.177 0.313 1 1142 101 101 LYS CB C 35.632 0.313 1 1143 101 101 LYS CG C 24.125 0.313 1 1144 101 101 LYS CD C 29.179 0.313 1 1145 101 101 LYS CE C 42.160 0.313 1 1146 102 102 TYR H H 8.744 0.043 1 1147 102 102 TYR HA H 4.404 0.043 1 1148 102 102 TYR HB2 H 3.164 0.043 1 1149 102 102 TYR HB3 H 2.756 0.043 1 1150 102 102 TYR HD1 H 7.254 0.043 3 1151 102 102 TYR HD2 H 7.254 0.043 3 1152 102 102 TYR HE1 H 6.833 0.043 3 1153 102 102 TYR HE2 H 6.833 0.043 3 1154 102 102 TYR C C 176.888 0.313 1 1155 102 102 TYR CA C 59.772 0.313 1 1156 102 102 TYR CB C 38.222 0.313 1 1157 102 102 TYR CD1 C 133.102 0.313 3 1158 102 102 TYR CD2 C 133.102 0.313 3 1159 102 102 TYR CE1 C 118.280 0.313 3 1160 102 102 TYR CE2 C 118.280 0.313 3 1161 102 102 TYR N N 120.448 0.125 1 1162 103 103 GLU H H 8.943 0.043 1 1163 103 103 GLU HA H 4.392 0.043 1 1164 103 103 GLU HB2 H 2.142 0.043 1 1165 103 103 GLU HB3 H 2.056 0.043 1 1166 103 103 GLU HG2 H 2.379 0.043 1 1167 103 103 GLU HG3 H 2.379 0.043 1 1168 103 103 GLU C C 176.175 0.313 1 1169 103 103 GLU CA C 56.327 0.313 1 1170 103 103 GLU CB C 30.182 0.313 1 1171 103 103 GLU CG C 36.388 0.313 1 1172 103 103 GLU N N 121.906 0.125 1 1173 104 104 LYS H H 8.584 0.043 1 1174 104 104 LYS HA H 4.491 0.043 1 1175 104 104 LYS HB2 H 1.847 0.043 1 1176 104 104 LYS HB3 H 1.847 0.043 1 1177 104 104 LYS HG2 H 1.519 0.043 1 1178 104 104 LYS HG3 H 1.519 0.043 1 1179 104 104 LYS HD2 H 1.737 0.043 1 1180 104 104 LYS HD3 H 1.737 0.043 1 1181 104 104 LYS HE2 H 3.038 0.043 1 1182 104 104 LYS HE3 H 3.038 0.043 1 1183 104 104 LYS C C 176.490 0.313 1 1184 104 104 LYS CA C 56.049 0.313 1 1185 104 104 LYS CB C 32.900 0.313 1 1186 104 104 LYS CG C 24.606 0.313 1 1187 104 104 LYS CD C 28.938 0.313 1 1188 104 104 LYS CE C 41.934 0.313 1 1189 104 104 LYS N N 122.902 0.125 1 1190 105 105 THR H H 8.290 0.043 1 1191 105 105 THR HA H 4.423 0.043 1 1192 105 105 THR HB H 4.215 0.043 1 1193 105 105 THR HG2 H 1.270 0.043 1 1194 105 105 THR C C 174.047 0.313 1 1195 105 105 THR CA C 61.509 0.313 1 1196 105 105 THR CB C 69.961 0.313 1 1197 105 105 THR CG2 C 21.725 0.313 1 1198 105 105 THR N N 116.439 0.125 1 1199 106 106 LEU H H 8.493 0.043 1 1200 106 106 LEU HA H 4.381 0.043 1 1201 106 106 LEU HB2 H 1.692 0.043 1 1202 106 106 LEU HB3 H 1.650 0.043 1 1203 106 106 LEU HG H 1.566 0.043 1 1204 106 106 LEU HD1 H 0.896 0.043 1 1205 106 106 LEU HD2 H 0.896 0.043 1 1206 106 106 LEU C C 175.676 0.313 1 1207 106 106 LEU CA C 54.994 0.313 1 1208 106 106 LEU CB C 42.997 0.313 1 1209 106 106 LEU CG C 27.026 0.313 1 1210 106 106 LEU CD1 C 24.537 0.313 1 1211 106 106 LEU CD2 C 24.524 0.313 1 1212 106 106 LEU N N 125.258 0.125 1 1213 107 107 ASP H H 8.499 0.043 1 1214 107 107 ASP HA H 4.851 0.043 1 1215 107 107 ASP HB2 H 2.886 0.043 1 1216 107 107 ASP HB3 H 2.636 0.043 1 1217 107 107 ASP C C 176.684 0.313 1 1218 107 107 ASP CA C 52.896 0.313 1 1219 107 107 ASP CB C 40.774 0.313 1 1220 107 107 ASP N N 123.915 0.125 1 1221 108 108 LEU H H 8.620 0.043 1 1222 108 108 LEU HA H 4.231 0.043 1 1223 108 108 LEU HB2 H 1.817 0.043 1 1224 108 108 LEU HB3 H 1.710 0.043 1 1225 108 108 LEU HG H 1.827 0.043 1 1226 108 108 LEU HD1 H 1.087 0.043 1 1227 108 108 LEU HD2 H 0.938 0.043 1 1228 108 108 LEU C C 177.306 0.313 1 1229 108 108 LEU CA C 55.966 0.313 1 1230 108 108 LEU CB C 41.467 0.313 1 1231 108 108 LEU CG C 27.077 0.313 1 1232 108 108 LEU CD1 C 25.638 0.313 1 1233 108 108 LEU CD2 C 23.600 0.313 1 1234 108 108 LEU N N 125.168 0.125 1 1235 109 109 ALA H H 8.252 0.043 1 1236 109 109 ALA HA H 4.343 0.043 1 1237 109 109 ALA HB H 1.516 0.043 1 1238 109 109 ALA C C 178.711 0.313 1 1239 109 109 ALA CA C 53.418 0.313 1 1240 109 109 ALA CB C 18.596 0.313 1 1241 109 109 ALA N N 120.553 0.125 1 1242 110 110 SER H H 7.989 0.043 1 1243 110 110 SER HA H 4.524 0.043 1 1244 110 110 SER HB2 H 3.969 0.043 1 1245 110 110 SER HB3 H 3.929 0.043 1 1246 110 110 SER C C 174.210 0.313 1 1247 110 110 SER CA C 58.639 0.313 1 1248 110 110 SER CB C 63.990 0.313 1 1249 110 110 SER N N 112.098 0.125 1 1250 111 111 VAL H H 7.550 0.043 1 1251 111 111 VAL HA H 4.238 0.043 1 1252 111 111 VAL HB H 2.071 0.043 1 1253 111 111 VAL HG1 H 0.928 0.043 1 1254 111 111 VAL HG2 H 0.886 0.043 1 1255 111 111 VAL C C 174.302 0.313 1 1256 111 111 VAL CA C 61.206 0.313 1 1257 111 111 VAL CB C 33.427 0.313 1 1258 111 111 VAL CG1 C 20.327 0.313 1 1259 111 111 VAL CG2 C 21.115 0.313 1 1260 111 111 VAL N N 118.877 0.125 1 1261 112 112 ASP H H 8.193 0.043 1 1262 112 112 ASP HA H 4.830 0.043 1 1263 112 112 ASP HB2 H 2.846 0.043 1 1264 112 112 ASP HB3 H 2.567 0.043 1 1265 112 112 ASP C C 177.611 0.313 1 1266 112 112 ASP CA C 52.686 0.313 1 1267 112 112 ASP CB C 40.289 0.313 1 1268 112 112 ASP N N 122.432 0.125 1 1269 113 113 LEU H H 8.646 0.043 1 1270 113 113 LEU HA H 4.045 0.043 1 1271 113 113 LEU HB2 H 1.486 0.043 1 1272 113 113 LEU HB3 H 1.842 0.043 1 1273 113 113 LEU HG H 1.918 0.043 1 1274 113 113 LEU HD1 H 0.881 0.043 1 1275 113 113 LEU HD2 H 1.057 0.043 1 1276 113 113 LEU C C 178.293 0.313 1 1277 113 113 LEU CA C 57.259 0.313 1 1278 113 113 LEU CB C 43.119 0.313 1 1279 113 113 LEU CG C 26.940 0.313 1 1280 113 113 LEU CD1 C 23.056 0.313 1 1281 113 113 LEU CD2 C 26.715 0.313 1 1282 113 113 LEU N N 125.638 0.125 1 1283 114 114 ARG H H 8.046 0.043 1 1284 114 114 ARG HA H 3.891 0.043 1 1285 114 114 ARG HB2 H 1.962 0.043 1 1286 114 114 ARG HB3 H 1.962 0.043 1 1287 114 114 ARG HG2 H 1.811 0.043 1 1288 114 114 ARG HG3 H 1.722 0.043 1 1289 114 114 ARG HD2 H 3.252 0.043 1 1290 114 114 ARG HD3 H 3.252 0.043 1 1291 114 114 ARG C C 177.723 0.313 1 1292 114 114 ARG CA C 58.380 0.313 1 1293 114 114 ARG CB C 29.533 0.313 1 1294 114 114 ARG CG C 28.113 0.313 1 1295 114 114 ARG CD C 43.091 0.313 1 1296 114 114 ARG N N 112.467 0.125 1 1297 115 115 LYS H H 7.365 0.043 1 1298 115 115 LYS HA H 4.351 0.043 1 1299 115 115 LYS HB2 H 2.050 0.043 1 1300 115 115 LYS HB3 H 1.786 0.043 1 1301 115 115 LYS HG2 H 1.490 0.043 1 1302 115 115 LYS HG3 H 1.377 0.043 1 1303 115 115 LYS HD2 H 1.818 0.043 1 1304 115 115 LYS HD3 H 1.717 0.043 1 1305 115 115 LYS HE2 H 3.034 0.043 1 1306 115 115 LYS HE3 H 3.034 0.043 1 1307 115 115 LYS C C 176.959 0.313 1 1308 115 115 LYS CA C 55.816 0.313 1 1309 115 115 LYS CB C 32.898 0.313 1 1310 115 115 LYS CG C 25.204 0.313 1 1311 115 115 LYS CD C 29.054 0.313 1 1312 115 115 LYS CE C 42.007 0.313 1 1313 115 115 LYS N N 116.345 0.125 1 1314 116 116 MET H H 7.185 0.043 1 1315 116 116 MET HA H 4.338 0.043 1 1316 116 116 MET HB2 H 2.071 0.043 1 1317 116 116 MET HB3 H 2.006 0.043 1 1318 116 116 MET HG2 H 2.673 0.043 1 1319 116 116 MET HG3 H 2.495 0.043 1 1320 116 116 MET HE H 1.940 0.043 1 1321 116 116 MET C C 175.687 0.313 1 1322 116 116 MET CA C 56.317 0.313 1 1323 116 116 MET CB C 34.047 0.313 1 1324 116 116 MET CG C 33.465 0.313 1 1325 116 116 MET CE C 17.950 0.313 1 1326 116 116 MET N N 119.387 0.125 1 1327 117 117 ARG H H 8.830 0.043 1 1328 117 117 ARG HA H 4.475 0.043 1 1329 117 117 ARG HB2 H 2.173 0.043 1 1330 117 117 ARG HB3 H 1.731 0.043 1 1331 117 117 ARG HG2 H 1.851 0.043 1 1332 117 117 ARG HG3 H 1.795 0.043 1 1333 117 117 ARG HD2 H 3.277 0.043 1 1334 117 117 ARG HD3 H 3.208 0.043 1 1335 117 117 ARG C C 178.680 0.313 1 1336 117 117 ARG CA C 54.967 0.313 1 1337 117 117 ARG CB C 30.949 0.313 1 1338 117 117 ARG CG C 27.716 0.313 1 1339 117 117 ARG CD C 43.154 0.313 1 1340 117 117 ARG N N 118.930 0.125 1 1341 118 118 VAL H H 9.089 0.043 1 1342 118 118 VAL HA H 3.274 0.043 1 1343 118 118 VAL HB H 1.985 0.043 1 1344 118 118 VAL HG1 H 0.985 0.043 1 1345 118 118 VAL HG2 H 0.575 0.043 1 1346 118 118 VAL C C 177.244 0.313 1 1347 118 118 VAL CA C 67.730 0.313 1 1348 118 118 VAL CB C 30.904 0.313 1 1349 118 118 VAL CG1 C 23.328 0.313 1 1350 118 118 VAL CG2 C 20.654 0.313 1 1351 118 118 VAL N N 123.410 0.125 1 1352 119 119 ALA H H 8.673 0.043 1 1353 119 119 ALA HA H 3.875 0.043 1 1354 119 119 ALA HB H 1.365 0.043 1 1355 119 119 ALA C C 180.554 0.313 1 1356 119 119 ALA CA C 55.490 0.313 1 1357 119 119 ALA CB C 18.392 0.313 1 1358 119 119 ALA N N 119.201 0.125 1 1359 120 120 GLU H H 6.951 0.043 1 1360 120 120 GLU HA H 4.029 0.043 1 1361 120 120 GLU HB2 H 2.374 0.043 1 1362 120 120 GLU HB3 H 2.080 0.043 1 1363 120 120 GLU HG2 H 2.337 0.043 1 1364 120 120 GLU HG3 H 2.206 0.043 1 1365 120 120 GLU C C 178.864 0.313 1 1366 120 120 GLU CA C 58.607 0.313 1 1367 120 120 GLU CB C 30.188 0.313 1 1368 120 120 GLU CG C 37.512 0.313 1 1369 120 120 GLU N N 115.782 0.125 1 1370 121 121 LEU H H 7.651 0.043 1 1371 121 121 LEU HA H 3.889 0.043 1 1372 121 121 LEU HB2 H 1.741 0.043 1 1373 121 121 LEU HB3 H 1.221 0.043 1 1374 121 121 LEU HG H 1.671 0.043 1 1375 121 121 LEU HD1 H 0.892 0.043 1 1376 121 121 LEU HD2 H 0.795 0.043 1 1377 121 121 LEU C C 178.925 0.313 1 1378 121 121 LEU CA C 57.502 0.313 1 1379 121 121 LEU CB C 40.514 0.313 1 1380 121 121 LEU CG C 26.228 0.313 1 1381 121 121 LEU CD1 C 24.207 0.313 1 1382 121 121 LEU CD2 C 26.766 0.313 1 1383 121 121 LEU N N 121.387 0.125 1 1384 122 122 LYS H H 8.463 0.043 1 1385 122 122 LYS HA H 3.700 0.043 1 1386 122 122 LYS HB2 H 1.696 0.043 1 1387 122 122 LYS HB3 H 1.650 0.043 1 1388 122 122 LYS HG2 H 1.226 0.043 1 1389 122 122 LYS HG3 H 1.226 0.043 1 1390 122 122 LYS HD2 H 1.563 0.043 1 1391 122 122 LYS HD3 H 1.563 0.043 1 1392 122 122 LYS HE2 H 2.969 0.043 1 1393 122 122 LYS HE3 H 2.804 0.043 1 1394 122 122 LYS C C 178.874 0.313 1 1395 122 122 LYS CA C 60.049 0.313 1 1396 122 122 LYS CB C 32.392 0.313 1 1397 122 122 LYS CG C 26.281 0.313 1 1398 122 122 LYS CD C 29.624 0.313 1 1399 122 122 LYS CE C 41.718 0.313 1 1400 122 122 LYS N N 117.133 0.125 1 1401 123 123 GLN H H 7.325 0.043 1 1402 123 123 GLN HA H 4.085 0.043 1 1403 123 123 GLN HB2 H 2.175 0.043 1 1404 123 123 GLN HB3 H 2.175 0.043 1 1405 123 123 GLN HG2 H 2.482 0.043 1 1406 123 123 GLN HG3 H 2.418 0.043 1 1407 123 123 GLN HE21 H 7.429 0.043 1 1408 123 123 GLN HE22 H 6.840 0.043 1 1409 123 123 GLN C C 178.436 0.313 1 1410 123 123 GLN CA C 58.628 0.313 1 1411 123 123 GLN CB C 27.777 0.313 1 1412 123 123 GLN CG C 33.468 0.313 1 1413 123 123 GLN N N 118.698 0.125 1 1414 123 123 GLN NE2 N 111.646 0.125 1 1415 124 124 ILE H H 7.388 0.043 1 1416 124 124 ILE HA H 3.204 0.043 1 1417 124 124 ILE HB H 1.650 0.043 1 1418 124 124 ILE HG12 H 0.765 0.043 1 1419 124 124 ILE HG13 H 0.765 0.043 1 1420 124 124 ILE HG2 H -0.217 0.043 1 1421 124 124 ILE HD1 H 0.710 0.043 1 1422 124 124 ILE C C 177.835 0.313 1 1423 124 124 ILE CA C 65.069 0.313 1 1424 124 124 ILE CB C 37.394 0.313 1 1425 124 124 ILE CG1 C 28.525 0.313 1 1426 124 124 ILE CG2 C 15.505 0.313 1 1427 124 124 ILE CD1 C 13.668 0.313 1 1428 124 124 ILE N N 121.589 0.125 1 1429 125 125 LEU H H 7.026 0.043 1 1430 125 125 LEU HA H 3.647 0.043 1 1431 125 125 LEU HB2 H 1.516 0.043 1 1432 125 125 LEU HB3 H 1.813 0.043 1 1433 125 125 LEU HG H 1.074 0.043 1 1434 125 125 LEU HD1 H 0.908 0.043 1 1435 125 125 LEU HD2 H 1.598 0.043 1 1436 125 125 LEU C C 178.955 0.313 1 1437 125 125 LEU CA C 57.929 0.313 1 1438 125 125 LEU CB C 40.901 0.313 1 1439 125 125 LEU CG C 27.213 0.313 1 1440 125 125 LEU CD1 C 24.240 0.313 1 1441 125 125 LEU CD2 C 26.875 0.313 1 1442 125 125 LEU N N 117.304 0.125 1 1443 126 126 HIS H H 8.583 0.043 1 1444 126 126 HIS HA H 4.456 0.043 1 1445 126 126 HIS HB2 H 3.272 0.043 1 1446 126 126 HIS HB3 H 3.272 0.043 1 1447 126 126 HIS HD2 H 7.276 0.043 1 1448 126 126 HIS C C 179.085 0.313 1 1449 126 126 HIS CA C 58.810 0.313 1 1450 126 126 HIS CB C 28.665 0.313 1 1451 126 126 HIS CD2 C 120.004 0.313 1 1452 126 126 HIS N N 117.688 0.125 1 1453 127 127 SER H H 8.276 0.043 1 1454 127 127 SER HA H 4.253 0.043 1 1455 127 127 SER HB2 H 3.991 0.043 1 1456 127 127 SER HB3 H 3.991 0.043 1 1457 127 127 SER C C 175.238 0.313 1 1458 127 127 SER CA C 61.483 0.313 1 1459 127 127 SER CB C 62.496 0.313 1 1460 127 127 SER N N 118.736 0.125 1 1461 128 128 TRP H H 7.309 0.043 1 1462 128 128 TRP HA H 4.714 0.043 1 1463 128 128 TRP HB2 H 2.967 0.043 1 1464 128 128 TRP HB3 H 2.470 0.043 1 1465 128 128 TRP HD1 H 6.718 0.043 1 1466 128 128 TRP HE1 H 9.718 0.043 1 1467 128 128 TRP HE3 H 7.031 0.043 1 1468 128 128 TRP HZ2 H 7.298 0.043 1 1469 128 128 TRP HZ3 H 7.024 0.043 1 1470 128 128 TRP HH2 H 7.038 0.043 1 1471 128 128 TRP C C 176.124 0.313 1 1472 128 128 TRP CA C 54.546 0.313 1 1473 128 128 TRP CB C 29.222 0.313 1 1474 128 128 TRP CD1 C 123.043 0.313 1 1475 128 128 TRP CE3 C 119.530 0.313 1 1476 128 128 TRP CZ2 C 113.549 0.313 1 1477 128 128 TRP CZ3 C 120.505 0.313 1 1478 128 128 TRP CH2 C 122.734 0.313 1 1479 128 128 TRP N N 121.861 0.125 1 1480 128 128 TRP NE1 N 125.855 0.125 1 1481 129 129 GLY H H 8.041 0.043 1 1482 129 129 GLY HA2 H 4.144 0.043 1 1483 129 129 GLY HA3 H 3.847 0.043 1 1484 129 129 GLY C C 174.577 0.313 1 1485 129 129 GLY CA C 45.580 0.313 1 1486 129 129 GLY N N 107.591 0.125 1 1487 130 130 GLU H H 7.865 0.043 1 1488 130 130 GLU HA H 4.701 0.043 1 1489 130 130 GLU HB2 H 2.159 0.043 1 1490 130 130 GLU HB3 H 1.722 0.043 1 1491 130 130 GLU HG2 H 2.404 0.043 1 1492 130 130 GLU HG3 H 2.292 0.043 1 1493 130 130 GLU C C 174.740 0.313 1 1494 130 130 GLU CA C 54.452 0.313 1 1495 130 130 GLU CB C 32.135 0.313 1 1496 130 130 GLU CG C 34.549 0.313 1 1497 130 130 GLU N N 119.182 0.125 1 1498 131 131 GLU H H 8.601 0.043 1 1499 131 131 GLU HA H 4.475 0.043 1 1500 131 131 GLU HB2 H 1.996 0.043 1 1501 131 131 GLU HB3 H 1.936 0.043 1 1502 131 131 GLU HG2 H 2.211 0.043 1 1503 131 131 GLU HG3 H 2.211 0.043 1 1504 131 131 GLU CA C 54.865 0.313 1 1505 131 131 GLU CB C 32.248 0.313 1 1506 131 131 GLU CG C 35.622 0.313 1 1507 131 131 GLU N N 119.382 0.125 1 1508 133 133 ARG HA H 3.830 0.043 1 1509 133 133 ARG HB2 H 1.951 0.043 1 1510 133 133 ARG HB3 H 1.951 0.043 1 1511 133 133 ARG HG2 H 1.631 0.043 1 1512 133 133 ARG HG3 H 1.631 0.043 1 1513 133 133 ARG HD2 H 3.049 0.043 1 1514 133 133 ARG HD3 H 3.049 0.043 1 1515 133 133 ARG CA C 59.874 0.313 1 1516 133 133 ARG CB C 32.065 0.313 1 1517 133 133 ARG CG C 25.118 0.313 1 1518 133 133 ARG CD C 42.326 0.313 1 1519 134 134 ALA HA H 4.343 0.043 1 1520 134 134 ALA HB H 1.368 0.043 1 1521 134 134 ALA C C 176.503 0.313 1 1522 134 134 ALA CA C 51.807 0.313 1 1523 134 134 ALA CB C 17.916 0.313 1 1524 135 135 CYS H H 7.566 0.043 1 1525 135 135 CYS HA H 4.246 0.043 1 1526 135 135 CYS HB2 H 2.721 0.043 1 1527 135 135 CYS HB3 H 2.721 0.043 1 1528 135 135 CYS C C 173.059 0.313 1 1529 135 135 CYS N N 118.731 0.125 1 1530 136 136 ALA H H 9.208 0.043 1 1531 136 136 ALA HA H 4.625 0.043 1 1532 136 136 ALA HB H 1.505 0.043 1 1533 136 136 ALA C C 176.858 0.313 1 1534 136 136 ALA CA C 53.210 0.313 1 1535 136 136 ALA CB C 21.546 0.313 1 1536 136 136 ALA N N 125.625 0.125 1 1537 137 137 GLU H H 8.234 0.043 1 1538 137 137 GLU HA H 4.811 0.043 1 1539 137 137 GLU HB2 H 1.962 0.043 1 1540 137 137 GLU HB3 H 2.381 0.043 1 1541 137 137 GLU HG2 H 2.367 0.043 1 1542 137 137 GLU HG3 H 2.367 0.043 1 1543 137 137 GLU CA C 54.100 0.313 1 1544 137 137 GLU CB C 32.161 0.313 1 1545 137 137 GLU CG C 35.594 0.313 1 1546 137 137 GLU N N 117.468 0.125 1 1547 138 138 LYS H H 7.045 0.043 1 1548 138 138 LYS HA H 4.012 0.043 1 1549 138 138 LYS HB2 H 1.968 0.043 1 1550 138 138 LYS HB3 H 1.968 0.043 1 1551 138 138 LYS HG2 H 1.375 0.043 1 1552 138 138 LYS HG3 H 1.375 0.043 1 1553 138 138 LYS HD2 H 1.727 0.043 1 1554 138 138 LYS HD3 H 1.727 0.043 1 1555 138 138 LYS HE2 H 3.051 0.043 1 1556 138 138 LYS HE3 H 3.051 0.043 1 1557 138 138 LYS C C 178.273 0.313 1 1558 138 138 LYS CA C 61.430 0.313 1 1559 138 138 LYS CB C 31.874 0.313 1 1560 138 138 LYS CG C 25.226 0.313 1 1561 138 138 LYS CD C 28.941 0.313 1 1562 138 138 LYS CE C 41.849 0.313 1 1563 139 139 THR H H 8.491 0.043 1 1564 139 139 THR HA H 3.828 0.043 1 1565 139 139 THR HB H 4.165 0.043 1 1566 139 139 THR HG2 H 1.327 0.043 1 1567 139 139 THR C C 174.953 0.313 1 1568 139 139 THR CA C 65.692 0.313 1 1569 139 139 THR CB C 68.520 0.313 1 1570 139 139 THR CG2 C 22.263 0.313 1 1571 139 139 THR N N 110.622 0.125 1 1572 140 140 ASP H H 7.610 0.043 1 1573 140 140 ASP HA H 4.449 0.043 1 1574 140 140 ASP HB2 H 2.910 0.043 1 1575 140 140 ASP HB3 H 2.694 0.043 1 1576 140 140 ASP C C 178.996 0.313 1 1577 140 140 ASP CA C 57.324 0.313 1 1578 140 140 ASP CB C 40.769 0.313 1 1579 140 140 ASP N N 120.061 0.125 1 1580 141 141 TYR H H 7.309 0.043 1 1581 141 141 TYR HA H 4.087 0.043 1 1582 141 141 TYR HB2 H 3.260 0.043 1 1583 141 141 TYR HB3 H 2.776 0.043 1 1584 141 141 TYR HD1 H 7.047 0.043 3 1585 141 141 TYR HD2 H 7.047 0.043 3 1586 141 141 TYR HE1 H 6.659 0.043 3 1587 141 141 TYR HE2 H 6.659 0.043 3 1588 141 141 TYR C C 177.499 0.313 1 1589 141 141 TYR CA C 61.907 0.313 1 1590 141 141 TYR CB C 39.636 0.313 1 1591 141 141 TYR CD1 C 132.899 0.313 3 1592 141 141 TYR CD2 C 132.899 0.313 3 1593 141 141 TYR CE1 C 118.338 0.313 3 1594 141 141 TYR CE2 C 118.338 0.313 3 1595 141 141 TYR N N 117.478 0.125 1 1596 142 142 VAL H H 8.029 0.043 1 1597 142 142 VAL HA H 3.409 0.043 1 1598 142 142 VAL HB H 2.145 0.043 1 1599 142 142 VAL HG1 H 0.971 0.043 1 1600 142 142 VAL HG2 H 0.954 0.043 1 1601 142 142 VAL C C 177.173 0.313 1 1602 142 142 VAL CA C 67.251 0.313 1 1603 142 142 VAL CB C 31.880 0.313 1 1604 142 142 VAL CG1 C 23.141 0.313 1 1605 142 142 VAL CG2 C 20.911 0.313 1 1606 142 142 VAL N N 118.707 0.125 1 1607 143 143 ASN H H 8.450 0.043 1 1608 143 143 ASN HA H 4.487 0.043 1 1609 143 143 ASN HB2 H 2.892 0.043 1 1610 143 143 ASN HB3 H 2.892 0.043 1 1611 143 143 ASN C C 177.988 0.313 1 1612 143 143 ASN CA C 55.749 0.313 1 1613 143 143 ASN CB C 37.421 0.313 1 1614 143 143 ASN N N 116.067 0.125 1 1615 144 144 LEU H H 7.478 0.043 1 1616 144 144 LEU HA H 4.412 0.043 1 1617 144 144 LEU HB2 H 1.914 0.043 1 1618 144 144 LEU HB3 H 1.674 0.043 1 1619 144 144 LEU HG H 1.674 0.043 1 1620 144 144 LEU HD1 H 1.088 0.043 1 1621 144 144 LEU HD2 H 1.080 0.043 1 1622 144 144 LEU C C 178.538 0.313 1 1623 144 144 LEU CA C 57.679 0.313 1 1624 144 144 LEU CB C 41.870 0.313 1 1625 144 144 LEU CG C 26.888 0.313 1 1626 144 144 LEU CD1 C 22.563 0.313 1 1627 144 144 LEU CD2 C 26.674 0.313 1 1628 144 144 LEU N N 120.933 0.125 1 1629 145 145 ILE H H 8.498 0.043 1 1630 145 145 ILE HA H 3.863 0.043 1 1631 145 145 ILE HB H 2.006 0.043 1 1632 145 145 ILE HG12 H 1.979 0.043 1 1633 145 145 ILE HG13 H 0.803 0.043 1 1634 145 145 ILE HG2 H 1.079 0.043 1 1635 145 145 ILE HD1 H 0.935 0.043 1 1636 145 145 ILE C C 177.693 0.313 1 1637 145 145 ILE CA C 66.289 0.313 1 1638 145 145 ILE CB C 37.685 0.313 1 1639 145 145 ILE CG1 C 31.491 0.313 1 1640 145 145 ILE CG2 C 18.280 0.313 1 1641 145 145 ILE CD1 C 15.876 0.313 1 1642 145 145 ILE N N 119.268 0.125 1 1643 146 146 GLN H H 8.364 0.043 1 1644 146 146 GLN HA H 4.130 0.043 1 1645 146 146 GLN HB2 H 2.338 0.043 1 1646 146 146 GLN HB3 H 2.146 0.043 1 1647 146 146 GLN HG2 H 2.721 0.043 1 1648 146 146 GLN HG3 H 2.383 0.043 1 1649 146 146 GLN HE21 H 7.298 0.043 1 1650 146 146 GLN HE22 H 6.841 0.043 1 1651 146 146 GLN C C 178.589 0.313 1 1652 146 146 GLN CA C 59.248 0.313 1 1653 146 146 GLN CB C 28.283 0.313 1 1654 146 146 GLN CG C 34.895 0.313 1 1655 146 146 GLN N N 115.897 0.125 1 1656 146 146 GLN NE2 N 110.153 0.125 1 1657 147 147 GLU H H 7.882 0.043 1 1658 147 147 GLU HA H 4.162 0.043 1 1659 147 147 GLU HB2 H 2.344 0.043 1 1660 147 147 GLU HB3 H 2.294 0.043 1 1661 147 147 GLU HG2 H 2.439 0.043 1 1662 147 147 GLU HG3 H 2.311 0.043 1 1663 147 147 GLU C C 178.507 0.313 1 1664 147 147 GLU CA C 58.721 0.313 1 1665 147 147 GLU CB C 29.841 0.313 1 1666 147 147 GLU CG C 35.884 0.313 1 1667 147 147 GLU N N 118.858 0.125 1 1668 148 148 LEU H H 8.333 0.043 1 1669 148 148 LEU HA H 4.325 0.043 1 1670 148 148 LEU HB2 H 2.167 0.043 1 1671 148 148 LEU HB3 H 1.549 0.043 1 1672 148 148 LEU HG H 2.068 0.043 1 1673 148 148 LEU HD1 H 1.015 0.043 1 1674 148 148 LEU HD2 H 0.965 0.043 1 1675 148 148 LEU C C 177.733 0.313 1 1676 148 148 LEU CA C 55.582 0.313 1 1677 148 148 LEU CB C 43.754 0.313 1 1678 148 148 LEU CG C 26.301 0.313 1 1679 148 148 LEU CD1 C 26.138 0.313 1 1680 148 148 LEU CD2 C 21.979 0.313 1 1681 148 148 LEU N N 117.562 0.125 1 1682 149 149 ALA H H 8.530 0.043 1 1683 149 149 ALA HA H 4.085 0.043 1 1684 149 149 ALA HB H 1.718 0.043 1 1685 149 149 ALA CA C 56.660 0.313 1 1686 149 149 ALA CB C 16.094 0.313 1 1687 149 149 ALA N N 122.298 0.125 1 1688 150 150 PRO HA H 4.321 0.043 1 1689 150 150 PRO HB2 H 2.355 0.043 1 1690 150 150 PRO HB3 H 1.749 0.043 1 1691 150 150 PRO HG2 H 2.087 0.043 1 1692 150 150 PRO HG3 H 1.965 0.043 1 1693 150 150 PRO HD2 H 3.732 0.043 1 1694 150 150 PRO HD3 H 3.559 0.043 1 1695 150 150 PRO C C 178.344 0.313 1 1696 150 150 PRO CA C 65.513 0.313 1 1697 150 150 PRO CB C 31.037 0.313 1 1698 150 150 PRO CG C 28.251 0.313 1 1699 150 150 PRO CD C 50.599 0.313 1 1700 151 151 LYS H H 7.544 0.043 1 1701 151 151 LYS HA H 3.950 0.043 1 1702 151 151 LYS HB2 H 1.557 0.043 1 1703 151 151 LYS HB3 H 1.421 0.043 1 1704 151 151 LYS HG2 H 0.773 0.043 1 1705 151 151 LYS HG3 H 0.755 0.043 1 1706 151 151 LYS HD2 H 1.136 0.043 1 1707 151 151 LYS HD3 H 1.136 0.043 1 1708 151 151 LYS HE2 H 2.822 0.043 1 1709 151 151 LYS HE3 H 2.822 0.043 1 1710 151 151 LYS C C 177.387 0.313 1 1711 151 151 LYS CA C 57.661 0.313 1 1712 151 151 LYS CB C 32.052 0.313 1 1713 151 151 LYS CG C 24.578 0.313 1 1714 151 151 LYS CD C 29.484 0.313 1 1715 151 151 LYS CE C 41.880 0.313 1 1716 151 151 LYS N N 115.877 0.125 1 1717 152 152 TYR H H 7.124 0.043 1 1718 152 152 TYR HA H 4.293 0.043 1 1719 152 152 TYR HB2 H 2.349 0.043 1 1720 152 152 TYR HB3 H 1.177 0.043 1 1721 152 152 TYR HD1 H 6.472 0.043 3 1722 152 152 TYR HD2 H 6.472 0.043 3 1723 152 152 TYR HE1 H 6.626 0.043 3 1724 152 152 TYR HE2 H 6.626 0.043 3 1725 152 152 TYR C C 175.849 0.313 1 1726 152 152 TYR CA C 58.630 0.313 1 1727 152 152 TYR CB C 38.382 0.313 1 1728 152 152 TYR CD1 C 132.626 0.313 3 1729 152 152 TYR CD2 C 132.626 0.313 3 1730 152 152 TYR CE1 C 117.352 0.313 3 1731 152 152 TYR CE2 C 117.352 0.313 3 1732 152 152 TYR N N 116.471 0.125 1 1733 153 153 ALA H H 7.906 0.043 1 1734 153 153 ALA HA H 4.403 0.043 1 1735 153 153 ALA HB H 1.518 0.043 1 1736 153 153 ALA C C 177.306 0.313 1 1737 153 153 ALA CA C 52.708 0.313 1 1738 153 153 ALA CB C 19.159 0.313 1 1739 153 153 ALA N N 123.305 0.125 1 1740 154 154 ALA H H 8.100 0.043 1 1741 154 154 ALA HA H 4.394 0.043 1 1742 154 154 ALA HB H 1.422 0.043 1 1743 154 154 ALA C C 177.815 0.313 1 1744 154 154 ALA CA C 52.623 0.313 1 1745 154 154 ALA CB C 19.002 0.313 1 1746 154 154 ALA N N 121.421 0.125 1 1747 155 155 THR H H 7.904 0.043 1 1748 155 155 THR HA H 4.335 0.043 1 1749 155 155 THR HB H 4.198 0.043 1 1750 155 155 THR HG2 H 1.205 0.043 1 1751 155 155 THR C C 173.884 0.313 1 1752 155 155 THR CA C 61.317 0.313 1 1753 155 155 THR CB C 69.825 0.313 1 1754 155 155 THR CG2 C 21.477 0.313 1 1755 155 155 THR N N 111.673 0.125 1 1756 156 156 HIS H H 8.359 0.043 1 1757 156 156 HIS HA H 5.008 0.043 1 1758 156 156 HIS HB2 H 3.105 0.043 1 1759 156 156 HIS HB3 H 3.244 0.043 1 1760 156 156 HIS HD2 H 7.252 0.043 1 1761 156 156 HIS CA C 53.427 0.313 1 1762 156 156 HIS CB C 28.985 0.313 1 1763 156 156 HIS CD2 C 120.183 0.313 1 1764 156 156 HIS N N 121.254 0.125 1 1765 157 157 PRO HA H 4.503 0.043 1 1766 157 157 PRO HB2 H 2.352 0.043 1 1767 157 157 PRO HB3 H 1.960 0.043 1 1768 157 157 PRO HG2 H 2.026 0.043 1 1769 157 157 PRO HG3 H 2.026 0.043 1 1770 157 157 PRO HD2 H 3.767 0.043 1 1771 157 157 PRO HD3 H 3.615 0.043 1 1772 157 157 PRO C C 176.715 0.313 1 1773 157 157 PRO CA C 62.926 0.313 1 1774 157 157 PRO CB C 32.027 0.313 1 1775 157 157 PRO CG C 27.218 0.313 1 1776 157 157 PRO CD C 50.472 0.313 1 1777 158 158 LYS H H 8.597 0.043 1 1778 158 158 LYS HA H 4.446 0.043 1 1779 158 158 LYS HB2 H 1.902 0.043 1 1780 158 158 LYS HB3 H 1.828 0.043 1 1781 158 158 LYS HG2 H 1.517 0.043 1 1782 158 158 LYS HG3 H 1.476 0.043 1 1783 158 158 LYS HD2 H 1.733 0.043 1 1784 158 158 LYS HD3 H 1.733 0.043 1 1785 158 158 LYS HE2 H 3.048 0.043 1 1786 158 158 LYS HE3 H 3.048 0.043 1 1787 158 158 LYS C C 176.644 0.313 1 1788 158 158 LYS CA C 56.249 0.313 1 1789 158 158 LYS CB C 32.902 0.313 1 1790 158 158 LYS CG C 24.494 0.313 1 1791 158 158 LYS CD C 29.048 0.313 1 1792 158 158 LYS CE C 41.916 0.313 1 1793 158 158 LYS N N 122.066 0.125 1 1794 159 159 THR H H 8.267 0.043 1 1795 159 159 THR HA H 4.380 0.043 1 1796 159 159 THR HB H 4.251 0.043 1 1797 159 159 THR HG2 H 1.230 0.043 1 1798 159 159 THR C C 174.129 0.313 1 1799 159 159 THR CA C 61.677 0.313 1 1800 159 159 THR CB C 69.700 0.313 1 1801 159 159 THR CG2 C 21.504 0.313 1 1802 159 159 THR N N 115.855 0.125 1 1803 160 160 GLU H H 8.409 0.043 1 1804 160 160 GLU HA H 4.417 0.043 1 1805 160 160 GLU HB2 H 2.135 0.043 1 1806 160 160 GLU HB3 H 1.952 0.043 1 1807 160 160 GLU HG2 H 2.289 0.043 1 1808 160 160 GLU HG3 H 2.289 0.043 1 1809 160 160 GLU C C 175.086 0.313 1 1810 160 160 GLU CA C 56.076 0.313 1 1811 160 160 GLU CB C 30.325 0.313 1 1812 160 160 GLU CG C 35.769 0.313 1 1813 160 160 GLU N N 123.954 0.125 1 1814 161 161 LEU H H 7.970 0.043 1 1815 161 161 LEU HA H 4.203 0.043 1 1816 161 161 LEU HB2 H 1.613 0.043 1 1817 161 161 LEU HB3 H 1.613 0.043 1 1818 161 161 LEU HG H 1.625 0.043 1 1819 161 161 LEU HD1 H 0.911 0.043 1 1820 161 161 LEU HD2 H 0.870 0.043 1 1821 161 161 LEU CA C 56.519 0.313 1 1822 161 161 LEU CB C 43.164 0.313 1 1823 161 161 LEU CG C 27.347 0.313 1 1824 161 161 LEU CD1 C 23.446 0.313 1 1825 161 161 LEU CD2 C 25.016 0.313 1 1826 161 161 LEU N N 128.970 0.125 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800 _T1_coherence_type Iz _T1_value_units s-1 _Mol_system_component_name 'CEREBRAL DOPAMINE NEUROTROPHIC FACTOR' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 4 GLY N 1.150 0.070 2 5 GLY N 1.210 0.060 3 8 GLY N 1.260 0.070 4 9 ALA N 1.340 0.050 5 17 PHE N 1.000 0.060 6 18 LEU N 1.029 0.029 7 22 TYR N 0.986 0.024 8 23 LYS N 0.953 0.029 9 24 SER N 0.993 0.023 10 27 ASP N 1.007 0.028 11 28 ARG N 0.994 0.012 12 29 GLY N 0.937 0.029 13 30 VAL N 0.932 0.031 14 32 PHE N 0.980 0.070 15 33 SER N 0.923 0.035 16 34 LEU N 0.991 0.035 17 35 ASP N 0.969 0.040 18 38 GLU N 1.011 0.015 19 41 LEU N 0.928 0.020 20 43 SER N 0.951 0.016 21 44 PHE N 0.949 0.015 22 45 CYS N 0.843 0.034 23 46 LEU N 0.948 0.014 24 48 THR N 0.855 0.019 25 49 LYS N 1.022 0.035 26 50 GLY N 1.070 0.080 27 53 ASN N 0.913 0.038 28 56 CYS N 0.920 0.031 29 57 TYR N 1.012 0.036 30 59 LEU N 0.954 0.017 31 60 GLY N 0.893 0.040 32 62 THR N 1.003 0.038 33 65 ALA N 1.100 0.047 34 66 ALA N 1.249 0.049 35 67 THR N 1.153 0.047 36 77 MET N 1.220 0.130 37 78 SER N 1.023 0.017 38 79 VAL N 1.088 0.026 39 83 ALA N 1.040 0.060 40 84 MET N 1.080 0.050 41 87 CYS N 1.028 0.030 42 90 LEU N 1.091 0.021 43 92 LYS N 0.986 0.020 44 94 ASP N 1.016 0.033 45 95 SER N 1.260 0.110 46 97 ILE N 1.032 0.036 47 102 TYR N 1.070 0.035 48 103 GLU N 0.970 0.060 49 106 LEU N 1.169 0.037 50 110 SER N 1.230 0.050 51 111 VAL N 1.082 0.030 52 112 ASP N 1.195 0.049 53 114 ARG N 1.194 0.030 54 115 LYS N 1.143 0.038 55 116 MET N 1.160 0.023 56 117 ARG N 1.040 0.033 57 118 VAL N 1.170 0.050 58 119 ALA N 1.287 0.033 59 120 GLU N 1.095 0.018 60 121 LEU N 1.159 0.028 61 124 ILE N 1.234 0.033 62 125 LEU N 1.126 0.031 63 126 HIS N 1.249 0.018 64 128 TRP N 1.101 0.022 65 129 GLY N 1.205 0.015 66 131 GLU N 1.083 0.030 67 136 ALA N 0.986 0.032 68 139 THR N 1.230 0.050 69 140 ASP N 1.380 0.100 70 141 TYR N 1.112 0.028 71 142 VAL N 1.090 0.028 72 144 LEU N 1.221 0.023 73 145 ILE N 1.163 0.022 74 146 GLN N 1.148 0.020 75 148 LEU N 1.149 0.023 76 152 TYR N 1.070 0.040 77 153 ALA N 1.150 0.020 78 154 ALA N 1.290 0.043 79 155 THR N 1.270 0.070 80 160 GLU N 1.270 0.050 81 161 LEU N 0.986 0.003 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800 _T2_coherence_type I(+,-) _T2_value_units s-1 _Mol_system_component_name 'CEREBRAL DOPAMINE NEUROTROPHIC FACTOR' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 4 GLY N 2.35 0.13 . . 2 5 GLY N 2.43 0.10 . . 3 8 GLY N 5.27 0.13 . . 4 9 ALA N 6.39 0.09 . . 5 17 PHE N 16.90 0.90 . . 6 18 LEU N 15.28 0.17 . . 7 22 TYR N 17.17 0.41 . . 8 23 LYS N 14.37 0.25 . . 9 24 SER N 14.27 0.16 . . 10 27 ASP N 14.90 0.23 . . 11 28 ARG N 13.35 0.19 . . 12 29 GLY N 15.18 0.35 . . 13 30 VAL N 17.74 0.34 . . 14 32 PHE N 15.23 0.41 . . 15 33 SER N 10.38 0.16 . . 16 34 LEU N 14.76 0.28 . . 17 35 ASP N 15.11 0.18 . . 18 38 GLU N 17.89 0.29 . . 19 41 LEU N 16.58 0.14 . . 20 43 SER N 16.07 0.12 . . 21 44 PHE N 18.04 0.42 . . 22 45 CYS N 17.80 0.60 . . 23 46 LEU N 20.41 0.40 . . 24 48 THR N 12.53 0.11 . . 25 49 LYS N 13.00 0.17 . . 26 50 GLY N 11.80 0.80 . . 27 53 ASN N 16.76 0.39 . . 28 56 CYS N 15.28 0.20 . . 29 57 TYR N 9.60 0.70 . . 30 59 LEU N 14.82 0.31 . . 31 60 GLY N 29.20 1.20 . . 32 62 THR N 14.81 0.44 . . 33 65 ALA N 11.01 0.06 . . 34 66 ALA N 4.23 0.31 . . 35 67 THR N 16.50 0.60 . . 36 77 MET N 19.45 0.48 . . 37 78 SER N 16.60 0.31 . . 38 79 VAL N 17.20 0.50 . . 39 83 ALA N 15.96 0.47 . . 40 84 MET N 14.62 0.47 . . 41 87 CYS N 14.44 0.26 . . 42 90 LEU N 13.19 0.26 . . 43 92 LYS N 15.29 0.27 . . 44 94 ASP N 17.14 0.20 . . 45 95 SER N 10.07 0.32 . . 46 97 ILE N 17.46 0.41 . . 47 102 TYR N 13.51 0.35 . . 48 103 GLU N 13.14 0.29 . . 49 106 LEU N 8.10 0.31 . . 50 110 SER N 10.10 0.38 . . 51 111 VAL N 12.79 0.31 . . 52 112 ASP N 7.57 0.29 . . 53 114 ARG N 14.34 0.37 . . 54 115 LYS N 13.15 0.23 . . 55 116 MET N 11.41 0.08 . . 56 117 ARG N 13.95 0.30 . . 57 118 VAL N 13.25 0.37 . . 58 119 ALA N 16.36 0.12 . . 59 120 GLU N 13.79 0.21 . . 60 121 LEU N 13.59 0.20 . . 61 124 ILE N 13.41 0.26 . . 62 125 LEU N 17.66 0.29 . . 63 126 HIS N 15.12 0.30 . . 64 128 TRP N 12.97 0.21 . . 65 129 GLY N 12.54 0.26 . . 66 131 GLU N 13.34 0.11 . . 67 136 ALA N 10.93 0.24 . . 68 139 THR N 14.45 0.32 . . 69 140 ASP N 14.78 0.20 . . 70 141 TYR N 17.36 0.44 . . 71 142 VAL N 13.56 0.19 . . 72 144 LEU N 13.36 0.23 . . 73 145 ILE N 13.39 0.28 . . 74 146 GLN N 14.32 0.22 . . 75 148 LEU N 13.73 0.30 . . 76 152 TYR N 15.01 0.25 . . 77 153 ALA N 11.52 0.14 . . 78 154 ALA N 8.66 0.13 . . 79 155 THR N 8.50 0.13 . . 80 160 GLU N 3.24 0.09 . . 81 161 LEU N 0.45 0.28 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label HSQC stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name 'CEREBRAL DOPAMINE NEUROTROPHIC FACTOR' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 4 GLY 0.00000 . 5 GLY 0.12007 . 6 ARG 0.20112 . 8 GLY 0.32568 . 9 ALA 0.50954 . 10 ASP 0.68486 . 17 PHE 0.99000 . 18 LEU 0.99000 . 19 ASN 0.82650 . 20 ARG 0.77695 . 21 PHE 0.65424 . 22 TYR 0.75101 . 23 LYS 0.94130 . 24 SER 0.89297 . 26 ILE 0.95453 . 27 ASP 0.89243 . 28 ARG 0.99000 . 29 GLY 0.80600 . 30 VAL 0.81479 . 31 ASN 0.79293 . 32 PHE 0.77520 . 33 SER 0.53134 . 34 LEU 0.53624 . 35 ASP 0.82765 . 36 THR 0.82731 . 37 ILE 0.67181 . 38 GLU 0.85195 . 40 GLU 0.76249 . 41 LEU 0.99000 . 42 ILE 0.99000 . 43 SER 0.87105 . 44 PHE 0.60609 . 45 CYS 0.90663 . 46 LEU 0.76513 . 48 THR 0.34460 . 49 LYS 0.74919 . 50 GLY 0.99000 . 52 GLU 0.93542 . 53 ASN 0.84773 . 54 ARG 0.81920 . 55 LEU 0.53920 . 56 CYS 0.69590 . 57 TYR 0.72794 . 58 TYR 0.79012 . 59 LEU 0.75234 . 60 GLY 0.90954 . 61 ALA 0.80513 . 62 THR 0.68683 . 63 LYS 0.92480 . 64 ASP 0.72107 . 65 ALA 0.61153 . 66 ALA 0.43599 . 67 THR 0.72196 . 77 MET 0.92679 . 78 SER 0.90490 . 79 VAL 0.75219 . 80 HIS 0.85182 . 81 MET 0.77294 . 83 ALA 0.99000 . 84 MET 0.57423 . 86 ILE 0.81124 . 87 CYS 0.89559 . 89 LYS 0.79258 . 90 LEU 0.84474 . 92 LYS 0.68900 . 93 LEU 0.79172 . 94 ASP 0.68003 . 95 SER 0.88452 . 96 GLN 0.97925 . 97 ILE 0.76427 . 102 TYR 0.99000 . 103 GLU 0.46583 . 104 LYS 0.57687 . 105 THR 0.41312 . 106 LEU 0.44248 . 107 ASP 0.47264 . 108 LEU 0.45941 . 109 ALA 0.64177 . 110 SER 0.57112 . 111 VAL 0.51043 . 112 ASP 0.59929 . 113 LEU 0.51370 . 114 ARG 0.69284 . 115 LYS 0.75318 . 116 MET 0.73085 . 117 ARG 0.75947 . 118 VAL 0.83869 . 119 ALA 0.86528 . 120 GLU 0.78587 . 121 LEU 0.84693 . 122 LYS 0.82413 . 123 GLN 0.76795 . 124 ILE 0.90752 . 125 LEU 0.82830 . 126 HIS 0.71272 . 127 SER 0.66152 . 128 TRP 0.68864 . 129 GLY 0.86838 . 131 GLU 0.64091 . 136 ALA 0.60194 . 137 GLU 0.78192 . 139 THR 0.76818 . 140 ASP 0.91717 . 141 TYR 0.79196 . 142 VAL 0.73903 . 143 ASN 0.83622 . 144 LEU 0.79202 . 145 ILE 0.64880 . 146 GLN 0.80322 . 147 GLU 0.84817 . 148 LEU 0.88173 . 149 ALA 0.68636 . 151 LYS 0.62687 . 152 TYR 0.76895 . 153 ALA 0.78569 . 154 ALA 0.64755 . 155 THR 0.53559 . 156 HIS 0.48160 . 158 LYS 0.38560 . 159 THR 0.17829 . 160 GLU 0.00000 . 161 LEU -0.4963 . stop_ save_