data_4049 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Amino-Terminal Fragment of Urokinase-Type Plasminogen Activator ; _BMRB_accession_number 4049 _BMRB_flat_file_name bmr4049.str _Entry_type update _Submission_date 1997-02-26 _Accession_date 1997-07-28 _Entry_origination BMRB _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 Hansen Andrew P. . 2 Petros Andrew M. . 3 Meadows Robert P. . 4 Nettesheim David G. . 5 Mazar Andrew P. . 6 Olejniczak Edward T. . 7 Xu Robert X. . 8 Pederson Terry M. . 9 Henkin Jack . . 10 Fesik Stephen W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 728 "13C chemical shifts" 398 "15N chemical shifts" 122 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-08-17 reformat BMRB 'format updated to NMR-STAR version 2.1' 1999-08-24 update BMRB 'chemical shift for GLY 55 H corrected' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Hansen, A. P., Petros, A. M., Meadows, R. P., Nettesheim D. G., Mazar, A. P., Olejniczak, E. T., Xu, R. X., Pederson, T. M., Henkin, J., and Fesik, S. W., "Solution Structure of the Amino-Terminal Fragment of Urokinase-Type Plasminogen Activator," Biochemistry 33, 4847-4864 (1994). ; _Citation_title ; Solution Structure of the Amino-Terminal Fragment of Urokinase-Type Plasminogen Activator ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 94213863 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hansen Andrew P. . 2 Petros Andrew M. . 3 Meadows Robert P. . 4 Nettesheim David G. . 5 Mazar Andrew P. . 6 Olejniczak Edward T. . 7 Xu Robert X. . 8 Pederson Terry M. . 9 Henkin Jack . . 10 Fesik Stephen W. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 33 _Journal_issue 16 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4847 _Page_last 4864 _Year 1994 _Details . loop_ _Keyword 'amino terminal fragment' ATF 'chinese hamster ovary' CHO EGF 'epidermal growth factor' GFD 'growth factor domain' NMR 'nuclear magnetic resonance' 'tissue-type plasminogen activator' t-PA u-PA 'urokinase-type plasminogen activator' stop_ save_ ################################## # Molecular system description # ################################## save_system_ATF _Saveframe_category molecular_system _Mol_system_name 'Urokinase-type plasminogen activator' _Abbreviation_common ATF _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ATF $ATF stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ATF _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'u-PA amino-terminal fragment' _Abbreviation_common ATF _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 130 _Mol_residue_sequence ; QVPSNCDCLNGGTCVSNKYF SNIHWCNCPKKFGGQHCEID KSKTCYEGNGHFYRGKASTD TMGRPCLPWNSATVLQQTYH AHRSDALQLGLGKHNYCRNP DNRRRPWCYVQVGLKPLVQE CMVHDCADGK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 6 GLN 2 7 VAL 3 8 PRO 4 9 SER 5 10 ASN 6 11 CYS 7 12 ASP 8 13 CYS 9 14 LEU 10 15 ASN 11 16 GLY 12 17 GLY 13 18 THR 14 19 CYS 15 20 VAL 16 21 SER 17 22 ASN 18 23 LYS 19 24 TYR 20 25 PHE 21 26 SER 22 27 ASN 23 28 ILE 24 29 HIS 25 30 TRP 26 31 CYS 27 32 ASN 28 33 CYS 29 34 PRO 30 35 LYS 31 36 LYS 32 37 PHE 33 38 GLY 34 39 GLY 35 40 GLN 36 41 HIS 37 42 CYS 38 43 GLU 39 44 ILE 40 45 ASP 41 46 LYS 42 47 SER 43 48 LYS 44 49 THR 45 50 CYS 46 51 TYR 47 52 GLU 48 53 GLY 49 54 ASN 50 55 GLY 51 56 HIS 52 57 PHE 53 58 TYR 54 59 ARG 55 60 GLY 56 61 LYS 57 62 ALA 58 63 SER 59 64 THR 60 65 ASP 61 66 THR 62 67 MET 63 68 GLY 64 69 ARG 65 70 PRO 66 71 CYS 67 72 LEU 68 73 PRO 69 74 TRP 70 75 ASN 71 76 SER 72 77 ALA 73 78 THR 74 79 VAL 75 80 LEU 76 81 GLN 77 82 GLN 78 83 THR 79 84 TYR 80 85 HIS 81 86 ALA 82 87 HIS 83 88 ARG 84 89 SER 85 90 ASP 86 91 ALA 87 92 LEU 88 93 GLN 89 94 LEU 90 95 GLY 91 96 LEU 92 97 GLY 93 98 LYS 94 99 HIS 95 100 ASN 96 101 TYR 97 102 CYS 98 103 ARG 99 104 ASN 100 105 PRO 101 106 ASP 102 107 ASN 103 108 ARG 104 109 ARG 105 110 ARG 106 111 PRO 107 112 TRP 108 113 CYS 109 114 TYR 110 115 VAL 111 116 GLN 112 117 VAL 113 118 GLY 114 119 LEU 115 120 LYS 116 121 PRO 117 122 LEU 118 123 VAL 119 124 GLN 120 125 GLU 121 126 CYS 122 127 MET 123 128 VAL 124 129 HIS 125 130 ASP 126 131 CYS 127 132 ALA 128 133 ASP 129 134 GLY 130 135 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 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 1KDU "Sequential 1h Nmr Assignments And Secondary Structure Of The Kringle Domain From Urokinase" 65.38 85 100.00 100.00 3.37e-56 PDB 1URK "Solution Structure Of The Amino Terminal Fragment Of Urokinase-Type Plasminogen Activator" 100.00 130 100.00 100.00 7.63e-92 PDB 2FD6 "Structure Of Human Urokinase Plasminogen Activator In Complex With Urokinase Receptor And An Anti-Upar Antibody At 1.9 A" 93.85 122 100.00 100.00 1.00e-85 PDB 2I9A "Crystal Structure Of The Free Aminoterminal Fragment Of Urokinase Type Plasminogen Activator (Atf)" 100.00 145 100.00 100.00 3.38e-92 PDB 2I9B "Crystal Structure Of Atf-urokinase Receptor Complex" 100.00 145 100.00 100.00 3.38e-92 PDB 3BT1 "Structure Of Urokinase Receptor, Urokinase And Vitronectin Complex" 98.46 135 100.00 100.00 1.03e-90 PDB 3BT2 "Structure Of Urokinase Receptor, Urokinase And Vitronectin Complex" 98.46 135 100.00 100.00 1.03e-90 PDB 3U73 "Crystal Structure Of Stabilized Human Upar Mutant In Complex With Atf" 97.69 132 100.00 100.00 9.64e-90 PDB 4K24 "Structure Of Anti-upar Fab Atn-658 In Complex With Upar" 98.46 135 100.00 100.00 1.03e-90 DBJ BAA00175 "pro-urokinase precursor [Homo sapiens]" 100.00 431 100.00 100.00 2.98e-90 DBJ BAA01919 "urokinase-type plasminogen activater [Homo sapiens]" 100.00 411 99.23 99.23 6.37e-89 DBJ BAG35799 "unnamed protein product [Homo sapiens]" 100.00 431 99.23 99.23 3.89e-89 DBJ BAG60256 "unnamed protein product [Homo sapiens]" 53.08 345 100.00 100.00 2.20e-41 DBJ BAG60754 "unnamed protein product [Homo sapiens]" 97.69 414 98.43 99.21 2.71e-86 EMBL CAA26268 "urokinase-plasminogen activator [Homo sapiens]" 100.00 431 100.00 100.00 2.98e-90 EMBL CAA26535 "unnamed protein product [Homo sapiens]" 100.00 431 99.23 99.23 9.24e-89 EMBL CAA38215 "plasminogen activator [synthetic construct]" 100.00 430 100.00 100.00 2.43e-90 EMBL CAH89628 "hypothetical protein [Pongo abelii]" 100.00 431 98.46 98.46 1.13e-87 GB AAA61252 "urokinase, partial [Homo sapiens]" 69.23 366 100.00 100.00 1.59e-57 GB AAA61253 "pro-urokinase [Homo sapiens]" 100.00 431 100.00 100.00 2.98e-90 GB AAA73054 "urokinase-type plasminogen activator [synthetic construct]" 100.00 424 99.23 99.23 1.18e-89 GB AAC97138 "preprourokinase [Homo sapiens]" 100.00 431 100.00 100.00 2.98e-90 GB AAH13575 "Plasminogen activator, urokinase [Homo sapiens]" 100.00 431 100.00 100.00 2.98e-90 PRF 1110198A urokinase,prepro 100.00 431 100.00 100.00 2.98e-90 PRF 1111206A urokinase,pro 100.00 431 100.00 100.00 2.98e-90 PRF 1111261A urokinase,pro 100.00 411 100.00 100.00 3.09e-90 PRF 1404232A urokinase,pro 100.00 431 100.00 100.00 2.98e-90 REF NP_001124729 "urokinase-type plasminogen activator precursor [Pongo abelii]" 100.00 431 98.46 98.46 1.13e-87 REF NP_001138503 "urokinase-type plasminogen activator isoform 2 [Homo sapiens]" 97.69 414 99.21 100.00 2.21e-87 REF NP_002649 "urokinase-type plasminogen activator isoform 1 preproprotein [Homo sapiens]" 100.00 431 100.00 100.00 2.98e-90 REF XP_003271314 "PREDICTED: urokinase-type plasminogen activator isoform X1 [Nomascus leucogenys]" 97.69 414 97.64 98.43 1.01e-85 REF XP_003312680 "PREDICTED: urokinase-type plasminogen activator isoform X1 [Pan troglodytes]" 100.00 431 99.23 99.23 2.67e-89 SP P00749 "RecName: Full=Urokinase-type plasminogen activator; Short=U-plasminogen activator; Short=uPA; Contains: RecName: Full=Urokinase" 100.00 431 100.00 100.00 2.98e-90 SP Q5RF29 "RecName: Full=Urokinase-type plasminogen activator; Short=U-plasminogen activator; Short=uPA; Contains: RecName: Full=Urokinase" 100.00 431 98.46 98.46 1.13e-87 stop_ save_ ############# # Ligands # ############# save_FCB _Saveframe_category ligand _Mol_type "non-polymer (D-SACCHARIDE)" _Name_common BETA-D-FUCOSE _BMRB_code FCB _PDB_code FCB _Molecular_mass 164.156 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? O1 O1 O . 0 . ? O2 O2 O . 0 . ? O3 O3 O . 0 . ? O4 O4 O . 0 . ? O5 O5 O . 0 . ? H1 H1 H . 0 . ? H2 H2 H . 0 . ? H3 H3 H . 0 . ? H4 H4 H . 0 . ? H5 H5 H . 0 . ? H61 H61 H . 0 . ? H62 H62 H . 0 . ? H63 H63 H . 0 . ? HO1 HO1 H . 0 . ? HO2 HO2 H . 0 . ? HO3 HO3 H . 0 . ? HO4 HO4 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING C1 C2 ? ? SING C1 O1 ? ? SING C1 O5 ? ? SING C1 H1 ? ? SING C2 C3 ? ? SING C2 O2 ? ? SING C2 H2 ? ? SING C3 C4 ? ? SING C3 O3 ? ? SING C3 H3 ? ? SING C4 C5 ? ? SING C4 O4 ? ? SING C4 H4 ? ? SING C5 C6 ? ? SING C5 O5 ? ? SING C5 H5 ? ? SING C6 H61 ? ? SING C6 H62 ? ? SING C6 H63 ? ? SING O1 HO1 ? ? SING O2 HO2 ? ? SING O3 HO3 ? ? SING O4 HO4 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ATF human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Organ _Cell_line _Vector_name $ATF 'recombinant technology' 'CHO cells' . . . ovary Sp2/0 . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ATF 1.0 mM [U-15N] D2O 10 % . H2O 90 % . 'sodium acetate-d3' . mM . stop_ save_ save_sample_two _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ATF 1.0 mM '[U-13C; U-15N]' D2O 10 % . H2O 90 % . 'sodium acetate-d3' . mM . stop_ save_ save_sample_three _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ATF 2.0 mM '[U-13C; U-15N]' D2O 100 % . 'sodium acetate-d3' . mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 500 _Details . save_ save_NMR_spectrometer_two _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 600 _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details 'Temperature conditions used for all samples were the same.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.5 . na temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_one _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 TSP C 13 'methyl carbons' ppm 0.00 . . . . . H2O H 1 protons ppm 4.74 . . . . . NH4NO3 N 15 . ppm 119.4 . . . . . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_two stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chem_shift_reference_one _Mol_system_component_name ATF _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 GLN HA H 4.4 . 1 2 . 1 GLN HB2 H 2.51 . 2 3 . 1 GLN HB3 H 2.03 . 2 4 . 1 GLN HG2 H 2.45 . 1 5 . 1 GLN HG3 H 2.45 . 1 6 . 1 GLN CA C 59.00 . 1 7 . 1 GLN CB C 27.4 . 1 8 . 2 VAL H H 8.2 . 1 9 . 2 VAL HA H 4.46 . 1 10 . 2 VAL HB H 2.1 . 1 11 . 2 VAL HG1 H 0.99 . 2 12 . 2 VAL HG2 H 0.95 . 2 13 . 2 VAL CA C 59.5 . 1 14 . 2 VAL CB C 32.3 . 1 15 . 2 VAL CG1 C 20.8 . 2 16 . 2 VAL CG2 C 20.00 . 2 17 . 2 VAL N N 120.9 . 1 18 . 3 PRO HA H 4.46 . 1 19 . 3 PRO HB2 H 2.3 . 2 20 . 3 PRO HB3 H 1.91 . 2 21 . 3 PRO HG2 H 2.03 . 2 22 . 3 PRO HG3 H 1.97 . 2 23 . 3 PRO HD2 H 3.89 . 2 24 . 3 PRO HD3 H 3.7 . 2 25 . 3 PRO CA C 62.9 . 1 26 . 3 PRO CB C 32.1 . 1 27 . 3 PRO CG C 27.1 . 1 28 . 3 PRO CD C 50.7 . 1 29 . 4 SER H H 8.36 . 1 30 . 4 SER HA H 4.43 . 1 31 . 4 SER HB2 H 3.89 . 2 32 . 4 SER HB3 H 3.83 . 2 33 . 4 SER CA C 57.5 . 1 34 . 4 SER CB C 64.00 . 1 35 . 4 SER N N 115.7 . 1 36 . 5 ASN H H 8.39 . 1 37 . 5 ASN HA H 4.7 . 1 38 . 5 ASN HB2 H 2.79 . 2 39 . 5 ASN HB3 H 2.76 . 2 40 . 5 ASN CA C 53.00 . 1 41 . 5 ASN CB C 38.4 . 1 42 . 5 ASN N N 119.3 . 1 43 . 6 CYS H H 8.24 . 1 44 . 6 CYS HA H 4.35 . 1 45 . 6 CYS HB2 H 3.09 . 1 46 . 6 CYS HB3 H 3.09 . 1 47 . 6 CYS N N 117.1 . 1 48 . 7 ASP H H 8.31 . 1 49 . 7 ASP HA H 4.47 . 1 50 . 7 ASP HB2 H 2.7 . 2 51 . 7 ASP HB3 H 2.64 . 2 52 . 7 ASP CA C 53.5 . 1 53 . 7 ASP CB C 39.4 . 1 54 . 7 ASP N N 120.1 . 1 55 . 8 CYS H H 8.17 . 1 56 . 8 CYS HA H 4.57 . 1 57 . 8 CYS HB2 H 2.6 . 1 58 . 8 CYS HB3 H 2.6 . 1 59 . 8 CYS N N 117.6 . 1 60 . 9 LEU H H 8.44 . 1 61 . 9 LEU HA H 4.39 . 1 62 . 9 LEU HB2 H 1.63 . 2 63 . 9 LEU HB3 H 1.39 . 2 64 . 9 LEU HG H 1.78 . 1 65 . 9 LEU HD1 H 0.87 . 2 66 . 9 LEU HD2 H 0.79 . 2 67 . 9 LEU CA C 54.1 . 1 68 . 9 LEU CB C 43.3 . 1 69 . 9 LEU CG C 27.4 . 1 70 . 9 LEU CD1 C 25.3 . 2 71 . 9 LEU CD2 C 22.1 . 2 72 . 9 LEU N N 124.7 . 1 73 . 10 ASN H H 8.52 . 1 74 . 10 ASN HA H 3.93 . 1 75 . 10 ASN HB2 H 1.94 . 2 76 . 10 ASN HB3 H 1.46 . 2 77 . 10 ASN CA C 54.8 . 1 78 . 10 ASN CB C 36.8 . 1 79 . 10 ASN N N 110.1 . 1 80 . 11 GLY H H 8.38 . 1 81 . 11 GLY HA2 H 4.06 . 2 82 . 11 GLY HA3 H 3.63 . 2 83 . 11 GLY CA C 45.00 . 1 84 . 11 GLY N N 101.9 . 1 85 . 12 GLY H H 7.46 . 1 86 . 12 GLY HA2 H 4.44 . 2 87 . 12 GLY HA3 H 3.78 . 2 88 . 12 GLY CA C 45.7 . 1 89 . 12 GLY N N 102.6 . 1 90 . 13 THR H H 8.88 . 1 91 . 13 THR HA H 4.65 . 1 92 . 13 THR HB H 3.87 . 1 93 . 13 THR HG2 H 1.16 . 1 94 . 13 THR CA C 60.1 . 1 95 . 13 THR CB C 75.8 . 1 96 . 13 THR CG2 C 17.9 . 1 97 . 13 THR N N 116.8 . 1 98 . 14 CYS H H 9.08 . 1 99 . 14 CYS HA H 4.61 . 1 100 . 14 CYS HB2 H 3.12 . 2 101 . 14 CYS HB3 H 2.89 . 2 102 . 14 CYS N N 127.5 . 1 103 . 15 VAL H H 8.98 . 1 104 . 15 VAL HA H 4.06 . 1 105 . 15 VAL HB H 0.83 . 1 106 . 15 VAL HG1 H 0.69 . 2 107 . 15 VAL HG2 H 0.41 . 2 108 . 15 VAL CA C 61.1 . 1 109 . 15 VAL CB C 33.1 . 1 110 . 15 VAL CG1 C 21.8 . 2 111 . 15 VAL CG2 C 20.00 . 2 112 . 15 VAL N N 128.7 . 1 113 . 16 SER H H 7.98 . 1 114 . 16 SER HA H 4.68 . 1 115 . 16 SER HB2 H 3.71 . 1 116 . 16 SER HB3 H 3.71 . 1 117 . 16 SER CA C 57.2 . 1 118 . 16 SER CB C 65.00 . 1 119 . 16 SER N N 116.4 . 1 120 . 17 ASN H H 8.54 . 1 121 . 17 ASN HA H 4.76 . 1 122 . 17 ASN HB2 H 3.31 . 2 123 . 17 ASN HB3 H 2.84 . 2 124 . 17 ASN HD21 H 7.83 . 2 125 . 17 ASN HD22 H 7.29 . 2 126 . 17 ASN CA C 53.4 . 1 127 . 17 ASN CB C 39.9 . 1 128 . 17 ASN N N 121.7 . 1 129 . 17 ASN ND2 N 113.2 . 1 130 . 18 LYS H H 8.54 . 1 131 . 18 LYS HA H 3.97 . 1 132 . 18 LYS HB2 H 1.58 . 2 133 . 18 LYS HB3 H 1.39 . 2 134 . 18 LYS HG2 H 1.01 . 1 135 . 18 LYS HG3 H 1.01 . 1 136 . 18 LYS HD2 H 1.49 . 1 137 . 18 LYS HD3 H 1.49 . 1 138 . 18 LYS HE2 H 2.86 . 1 139 . 18 LYS HE3 H 2.86 . 1 140 . 18 LYS CA C 57.9 . 1 141 . 18 LYS CB C 32.3 . 1 142 . 18 LYS CG C 25.3 . 1 143 . 18 LYS CD C 28.9 . 1 144 . 18 LYS CE C 41.7 . 1 145 . 18 LYS N N 123.1 . 1 146 . 19 TYR H H 8.15 . 1 147 . 19 TYR HA H 4.36 . 1 148 . 19 TYR HB2 H 2.73 . 2 149 . 19 TYR HB3 H 2.64 . 2 150 . 19 TYR HD1 H 7.03 . 1 151 . 19 TYR HD2 H 7.03 . 1 152 . 19 TYR HE1 H 6.79 . 1 153 . 19 TYR HE2 H 6.79 . 1 154 . 19 TYR CA C 58.5 . 1 155 . 19 TYR CB C 38.4 . 1 156 . 19 TYR CD1 C 133.00 . 1 157 . 19 TYR CD2 C 133.00 . 1 158 . 19 TYR CE1 C 118.2 . 1 159 . 19 TYR CE2 C 118.2 . 1 160 . 19 TYR N N 116.9 . 1 161 . 20 PHE H H 7.86 . 1 162 . 20 PHE HA H 4.87 . 1 163 . 20 PHE HB2 H 3.31 . 2 164 . 20 PHE HB3 H 2.89 . 2 165 . 20 PHE HD1 H 7.3 . 1 166 . 20 PHE HD2 H 7.3 . 1 167 . 20 PHE HE1 H 7.37 . 1 168 . 20 PHE HE2 H 7.37 . 1 169 . 20 PHE HZ H 7.28 . 1 170 . 20 PHE CA C 56.4 . 1 171 . 20 PHE CB C 39.7 . 1 172 . 20 PHE CD1 C 132.1 . 1 173 . 20 PHE CD2 C 132.1 . 1 174 . 20 PHE CE1 C 131.5 . 1 175 . 20 PHE CE2 C 131.5 . 1 176 . 20 PHE CZ C 132.6 . 1 177 . 20 PHE N N 119.00 . 1 178 . 21 SER H H 8.39 . 1 179 . 21 SER HA H 4.38 . 1 180 . 21 SER HB2 H 3.98 . 2 181 . 21 SER HB3 H 3.92 . 2 182 . 21 SER CA C 60.1 . 1 183 . 21 SER CB C 63.5 . 1 184 . 21 SER N N 116.4 . 1 185 . 22 ASN H H 8.58 . 1 186 . 22 ASN HA H 4.72 . 1 187 . 22 ASN HB2 H 2.9 . 1 188 . 22 ASN HB3 H 2.9 . 1 189 . 22 ASN CA C 53.5 . 1 190 . 22 ASN CB C 37.7 . 1 191 . 22 ASN N N 116.4 . 1 192 . 23 ILE H H 7.83 . 1 193 . 23 ILE HA H 4.37 . 1 194 . 23 ILE HB H 2.05 . 1 195 . 23 ILE HG12 H 1.53 . 2 196 . 23 ILE HG13 H 1.19 . 2 197 . 23 ILE HG2 H 1.02 . 1 198 . 23 ILE HD1 H 0.85 . 1 199 . 23 ILE CA C 60.6 . 1 200 . 23 ILE CB C 38.4 . 1 201 . 23 ILE CG1 C 26.8 . 2 202 . 23 ILE CG2 C 16.9 . 2 203 . 23 ILE CD1 C 12.5 . 1 204 . 23 ILE N N 120.4 . 1 205 . 24 HIS H H 8.33 . 1 206 . 24 HIS HA H 5.48 . 1 207 . 24 HIS HB2 H 3.21 . 2 208 . 24 HIS HB3 H 3.09 . 2 209 . 24 HIS HD2 H 7.05 . 1 210 . 24 HIS CA C 53.8 . 1 211 . 24 HIS CB C 31.6 . 1 212 . 24 HIS CD2 C 119.7 . 1 213 . 24 HIS N N 121.00 . 1 214 . 25 TRP H H 8.79 . 1 215 . 25 TRP HA H 5.08 . 1 216 . 25 TRP HB2 H 3.44 . 2 217 . 25 TRP HB3 H 3.34 . 2 218 . 25 TRP HD1 H 6.97 . 1 219 . 25 TRP HE1 H 10.03 . 1 220 . 25 TRP HE3 H 7.29 . 1 221 . 25 TRP HZ2 H 7.39 . 1 222 . 25 TRP HZ3 H 6.95 . 1 223 . 25 TRP HH2 H 7.08 . 1 224 . 25 TRP CA C 56.4 . 1 225 . 25 TRP CB C 30.5 . 1 226 . 25 TRP CD1 C 127.4 . 1 227 . 25 TRP CE3 C 120.8 . 1 228 . 25 TRP CZ2 C 115.00 . 1 229 . 25 TRP CZ3 C 121.3 . 1 230 . 25 TRP CH2 C 123.7 . 1 231 . 25 TRP N N 119.7 . 1 232 . 25 TRP NE1 N 129.4 . 1 233 . 26 CYS H H 8.84 . 1 234 . 26 CYS HA H 5.23 . 1 235 . 26 CYS HB2 H 2.91 . 2 236 . 26 CYS HB3 H 2.67 . 2 237 . 26 CYS N N 115.3 . 1 238 . 27 ASN H H 9.33 . 1 239 . 27 ASN HA H 5.18 . 1 240 . 27 ASN HB2 H 2.89 . 2 241 . 27 ASN HB3 H 2.54 . 2 242 . 27 ASN CA C 51.8 . 1 243 . 27 ASN CB C 39.1 . 1 244 . 27 ASN N N 123.4 . 1 245 . 28 CYS H H 8.93 . 1 246 . 28 CYS HA H 5.29 . 1 247 . 28 CYS HB2 H 3.19 . 2 248 . 28 CYS HB3 H 2.75 . 2 249 . 28 CYS N N 122.8 . 1 250 . 29 PRO HA H 4.67 . 1 251 . 29 PRO HB2 H 2.69 . 2 252 . 29 PRO HB3 H 2.21 . 2 253 . 29 PRO HG2 H 2.55 . 2 254 . 29 PRO HG3 H 2.06 . 2 255 . 29 PRO HD2 H 3.66 . 2 256 . 29 PRO HD3 H 3.53 . 2 257 . 29 PRO CA C 62.7 . 1 258 . 29 PRO CB C 32.1 . 1 259 . 29 PRO CG C 27.9 . 1 260 . 29 PRO CD C 50.6 . 1 261 . 30 LYS H H 8.35 . 1 262 . 30 LYS HA H 4.09 . 1 263 . 30 LYS HB2 H 1.88 . 1 264 . 30 LYS HB3 H 1.88 . 1 265 . 30 LYS HG2 H 1.55 . 1 266 . 30 LYS HG3 H 1.55 . 1 267 . 30 LYS HD2 H 1.75 . 1 268 . 30 LYS HD3 H 1.75 . 1 269 . 30 LYS HE2 H 3.05 . 1 270 . 30 LYS HE3 H 3.05 . 1 271 . 30 LYS CA C 59.3 . 1 272 . 30 LYS CB C 32.3 . 1 273 . 30 LYS CG C 24.7 . 1 274 . 30 LYS CD C 29.2 . 1 275 . 30 LYS CE C 42.00 . 1 276 . 30 LYS N N 119.1 . 1 277 . 31 LYS H H 7.89 . 1 278 . 31 LYS HA H 3.94 . 1 279 . 31 LYS HB2 H 1.58 . 2 280 . 31 LYS HB3 H 1.42 . 2 281 . 31 LYS HG2 H 1.09 . 2 282 . 31 LYS HG3 H 1.01 . 2 283 . 31 LYS HD2 H 1.52 . 1 284 . 31 LYS HD3 H 1.52 . 1 285 . 31 LYS HE2 H 2.85 . 1 286 . 31 LYS HE3 H 2.85 . 1 287 . 31 LYS CA C 57.4 . 1 288 . 31 LYS CB C 32.3 . 1 289 . 31 LYS CG C 25.3 . 1 290 . 31 LYS CD C 29.2 . 1 291 . 31 LYS CE C 41.7 . 1 292 . 31 LYS N N 114.6 . 1 293 . 32 PHE H H 8.06 . 1 294 . 32 PHE HA H 5.63 . 1 295 . 32 PHE HB2 H 3.26 . 2 296 . 32 PHE HB3 H 2.59 . 2 297 . 32 PHE HD1 H 6.96 . 1 298 . 32 PHE HD2 H 6.96 . 1 299 . 32 PHE HE1 H 7.25 . 1 300 . 32 PHE HE2 H 7.25 . 1 301 . 32 PHE HZ H 7.21 . 1 302 . 32 PHE CA C 56.7 . 1 303 . 32 PHE CB C 43.1 . 1 304 . 32 PHE CD1 C 132.4 . 1 305 . 32 PHE CD2 C 132.4 . 1 306 . 32 PHE CE1 C 131.1 . 1 307 . 32 PHE CE2 C 131.1 . 1 308 . 32 PHE CZ C 130.00 . 1 309 . 32 PHE N N 115.1 . 1 310 . 33 GLY H H 9.28 . 1 311 . 33 GLY HA2 H 4.76 . 2 312 . 33 GLY HA3 H 3.79 . 2 313 . 33 GLY CA C 43.3 . 1 314 . 33 GLY N N 106.7 . 1 315 . 34 GLY H H 8.1 . 1 316 . 34 GLY HA2 H 4.85 . 2 317 . 34 GLY HA3 H 3.92 . 2 318 . 34 GLY CA C 43.6 . 1 319 . 34 GLY N N 105.5 . 1 320 . 35 GLN H H 9.43 . 1 321 . 35 GLN HA H 4.02 . 1 322 . 35 GLN HB2 H 2.06 . 2 323 . 35 GLN HB3 H 1.87 . 2 324 . 35 GLN HG2 H 2.43 . 2 325 . 35 GLN HG3 H 2.21 . 2 326 . 35 GLN CA C 58.5 . 1 327 . 35 GLN CB C 28.9 . 1 328 . 35 GLN CG C 34.2 . 1 329 . 35 GLN N N 120.2 . 1 330 . 36 HIS H H 9.61 . 1 331 . 36 HIS HA H 5.29 . 1 332 . 36 HIS HB2 H 3.95 . 2 333 . 36 HIS HB3 H 2.98 . 2 334 . 36 HIS CA C 54.3 . 1 335 . 36 HIS CB C 28.7 . 1 336 . 36 HIS N N 113.7 . 1 337 . 37 CYS H H 7.57 . 1 338 . 37 CYS HA H 4.29 . 1 339 . 37 CYS HB2 H 3.76 . 2 340 . 37 CYS HB3 H 3.04 . 2 341 . 37 CYS N N 111.2 . 1 342 . 38 GLU H H 10.55 . 1 343 . 38 GLU HA H 4.22 . 1 344 . 38 GLU HB2 H 2.21 . 2 345 . 38 GLU HB3 H 1.96 . 2 346 . 38 GLU HG2 H 2.61 . 1 347 . 38 GLU HG3 H 2.28 . 2 348 . 38 GLU CA C 56.9 . 1 349 . 38 GLU CB C 29.4 . 1 350 . 38 GLU CG C 35.5 . 1 351 . 38 GLU N N 119.1 . 1 352 . 39 ILE H H 8.79 . 1 353 . 39 ILE HA H 4.26 . 1 354 . 39 ILE HB H 1.52 . 1 355 . 39 ILE HG12 H 1.54 . 2 356 . 39 ILE HG13 H 1.12 . 2 357 . 39 ILE HG2 H 0.733 . 1 358 . 39 ILE HD1 H 0.85 . 1 359 . 39 ILE CA C 60.1 . 1 360 . 39 ILE CB C 38.6 . 1 361 . 39 ILE CG1 C 27.1 . 2 362 . 39 ILE CG2 C 16.6 . 2 363 . 39 ILE CD1 C 11.9 . 1 364 . 39 ILE N N 124.2 . 1 365 . 40 ASP H H 8.5 . 1 366 . 40 ASP HA H 4.51 . 1 367 . 40 ASP HB2 H 2.84 . 2 368 . 40 ASP HB3 H 2.54 . 2 369 . 40 ASP CA C 53.00 . 1 370 . 40 ASP CB C 40.7 . 1 371 . 40 ASP N N 126.5 . 1 372 . 41 LYS H H 8.42 . 1 373 . 41 LYS HA H 4.01 . 1 374 . 41 LYS HB2 H 1.83 . 2 375 . 41 LYS HB3 H 1.53 . 2 376 . 41 LYS HG2 H 1.32 . 2 377 . 41 LYS HG3 H 1.27 . 2 378 . 41 LYS HD2 H 1.52 . 1 379 . 41 LYS HD3 H 1.52 . 1 380 . 41 LYS HE2 H 2.78 . 1 381 . 41 LYS HE3 H 2.78 . 1 382 . 41 LYS CA C 57.7 . 1 383 . 41 LYS CB C 31.8 . 1 384 . 41 LYS CG C 23.9 . 1 385 . 41 LYS CD C 28.9 . 1 386 . 41 LYS CE C 41.7 . 1 387 . 41 LYS N N 125.1 . 1 388 . 42 SER H H 8.62 . 1 389 . 42 SER HA H 4.37 . 1 390 . 42 SER HB2 H 3.9 . 2 391 . 42 SER HB3 H 3.77 . 2 392 . 42 SER CA C 59.8 . 1 393 . 42 SER CB C 64.00 . 1 394 . 42 SER N N 114.3 . 1 395 . 43 LYS H H 7.4 . 1 396 . 43 LYS HA H 4.45 . 1 397 . 43 LYS HB2 H 1.94 . 2 398 . 43 LYS HB3 H 1.82 . 2 399 . 43 LYS HG2 H 1.57 . 2 400 . 43 LYS HG3 H 1.5 . 2 401 . 43 LYS HD2 H 1.78 . 1 402 . 43 LYS HD3 H 1.78 . 1 403 . 43 LYS HE2 H 3.09 . 1 404 . 43 LYS HE3 H 3.09 . 1 405 . 43 LYS CA C 56.2 . 1 406 . 43 LYS CB C 33.1 . 1 407 . 43 LYS CG C 24.8 . 1 408 . 43 LYS CD C 28.9 . 1 409 . 43 LYS CE C 42.00 . 1 410 . 43 LYS N N 121.2 . 1 411 . 44 THR HA H 4.58 . 1 412 . 44 THR HB H 4.43 . 1 413 . 44 THR HG2 H 1.24 . 1 414 . 44 THR CA C 61.6 . 1 415 . 44 THR CB C 70.00 . 1 416 . 44 THR CG2 C 21.4 . 1 417 . 45 CYS HB2 H 1.95 . 1 418 . 45 CYS HB3 H 1.95 . 1 419 . 46 TYR HA H 5.33 . 1 420 . 46 TYR HB2 H 3.12 . 2 421 . 46 TYR HB3 H 2.46 . 2 422 . 46 TYR HD1 H 6.51 . 1 423 . 46 TYR HD2 H 6.51 . 1 424 . 46 TYR HE1 H 6.83 . 1 425 . 46 TYR HE2 H 6.83 . 1 426 . 46 TYR CA C 54.8 . 1 427 . 46 TYR CB C 40.9 . 1 428 . 46 TYR CD1 C 133.6 . 1 429 . 46 TYR CD2 C 133.6 . 1 430 . 46 TYR CE1 C 118.2 . 1 431 . 46 TYR CE2 C 118.2 . 1 432 . 47 GLU H H 9.29 . 1 433 . 47 GLU HA H 4.76 . 1 434 . 47 GLU HB2 H 2.11 . 2 435 . 47 GLU HB3 H 2.02 . 2 436 . 47 GLU HG2 H 2.34 . 1 437 . 47 GLU HG3 H 2.27 . 2 438 . 47 GLU CA C 54.3 . 1 439 . 47 GLU CG C 36.2 . 1 440 . 47 GLU N N 122.14 . 1 441 . 48 GLY H H 9.16 . 1 442 . 48 GLY HA2 H 4.18 . 2 443 . 48 GLY HA3 H 3.87 . 2 444 . 48 GLY CA C 46.7 . 1 445 . 49 ASN H H 8.62 . 1 446 . 49 ASN HA H 4.93 . 1 447 . 49 ASN HB2 H 3.47 . 2 448 . 49 ASN HB3 H 2.76 . 2 449 . 49 ASN CA C 51.7 . 1 450 . 49 ASN CB C 37.6 . 1 451 . 49 ASN N N 122.9 . 1 452 . 50 GLY H H 9.21 . 1 453 . 50 GLY HA2 H 4.18 . 2 454 . 50 GLY HA3 H 3.64 . 2 455 . 50 GLY CA C 46.7 . 1 456 . 50 GLY N N 106.3 . 1 457 . 51 HIS H H 8.74 . 1 458 . 51 HIS HA H 4.47 . 1 459 . 51 HIS HB2 H 3.53 . 2 460 . 51 HIS HB3 H 2.88 . 2 461 . 51 HIS HD2 H 6.43 . 1 462 . 51 HIS HE1 H 8.37 . 1 463 . 51 HIS CA C 57.7 . 1 464 . 51 HIS CB C 28.4 . 1 465 . 51 HIS CD2 C 120.3 . 1 466 . 51 HIS CE1 C 135.9 . 1 467 . 51 HIS N N 120.8 . 1 468 . 52 PHE H H 8.92 . 1 469 . 52 PHE HA H 4.56 . 1 470 . 52 PHE HB2 H 3.52 . 2 471 . 52 PHE HB3 H 2.94 . 2 472 . 52 PHE HD1 H 7.31 . 1 473 . 52 PHE HD2 H 7.31 . 1 474 . 52 PHE HE1 H 7.45 . 1 475 . 52 PHE HE2 H 7.45 . 1 476 . 52 PHE HZ H 7.42 . 1 477 . 52 PHE CA C 57.2 . 1 478 . 52 PHE CB C 37.8 . 1 479 . 52 PHE CD1 C 131.8 . 1 480 . 52 PHE CD2 C 131.8 . 1 481 . 52 PHE CE1 C 131.8 . 1 482 . 52 PHE CE2 C 131.8 . 1 483 . 52 PHE CZ C 130.00 . 1 484 . 52 PHE N N 114.7 . 1 485 . 53 TYR H H 7.46 . 1 486 . 53 TYR HA H 4.54 . 1 487 . 53 TYR HB2 H 3.08 . 2 488 . 53 TYR HB3 H 3.29 . 2 489 . 53 TYR HD1 H 7.22 . 1 490 . 53 TYR HD2 H 7.22 . 1 491 . 53 TYR HE1 H 6.75 . 1 492 . 53 TYR HE2 H 6.75 . 1 493 . 53 TYR CA C 59.6 . 1 494 . 53 TYR CB C 38.4 . 1 495 . 53 TYR CD1 C 133.4 . 1 496 . 53 TYR CD2 C 133.4 . 1 497 . 53 TYR CE1 C 118.2 . 1 498 . 53 TYR CE2 C 118.2 . 1 499 . 53 TYR N N 120.5 . 1 500 . 54 ARG H H 8.97 . 1 501 . 54 ARG HA H 4.34 . 1 502 . 54 ARG HB2 H 2.34 . 2 503 . 54 ARG HB3 H 1.95 . 2 504 . 54 ARG HD2 H 3.32 . 1 505 . 54 ARG HD3 H 3.32 . 1 506 . 54 ARG CA C 55.1 . 1 507 . 54 ARG CB C 28.3 . 1 508 . 54 ARG CD C 45.2 . 1 509 . 54 ARG N N 129.6 . 1 510 . 55 GLY H H 9.21 . 1 511 . 55 GLY HA2 H 4.31 . 2 512 . 55 GLY HA3 H 3.41 . 2 513 . 55 GLY CA C 44.9 . 1 514 . 55 GLY N N 104.1 . 1 515 . 56 LYS H H 7.81 . 1 516 . 56 LYS HA H 3.45 . 1 517 . 56 LYS HB2 H 1.58 . 2 518 . 56 LYS HB3 H 1.21 . 2 519 . 56 LYS HG2 H 0.97 . 2 520 . 56 LYS HG3 H 0.28 . 2 521 . 56 LYS HD2 H 1.47 . 1 522 . 56 LYS HD3 H 1.47 . 1 523 . 56 LYS HE2 H 2.88 . 1 524 . 56 LYS HE3 H 2.88 . 1 525 . 56 LYS CA C 55.4 . 1 526 . 56 LYS CB C 31.8 . 1 527 . 56 LYS CG C 25.00 . 1 528 . 56 LYS CD C 29.2 . 1 529 . 56 LYS CE C 41.7 . 1 530 . 56 LYS N N 113.9 . 1 531 . 57 ALA H H 7.89 . 1 532 . 57 ALA HA H 4.34 . 1 533 . 57 ALA HB H 1.55 . 1 534 . 57 ALA CA C 54.3 . 1 535 . 57 ALA CB C 19.00 . 1 536 . 57 ALA N N 123.9 . 1 537 . 58 SER H H 8.56 . 1 538 . 58 SER HA H 5.29 . 1 539 . 58 SER HB2 H 4.41 . 2 540 . 58 SER HB3 H 3.71 . 2 541 . 58 SER CA C 59.00 . 1 542 . 58 SER CB C 65.1 . 1 543 . 58 SER N N 113.3 . 1 544 . 59 THR H H 7.47 . 1 545 . 59 THR HA H 5.46 . 1 546 . 59 THR HB H 4.02 . 1 547 . 59 THR HG2 H 1.14 . 1 548 . 59 THR CA C 59.00 . 1 549 . 59 THR CB C 72.9 . 1 550 . 59 THR CG2 C 21.1 . 1 551 . 59 THR N N 111.7 . 1 552 . 60 ASP H H 8.81 . 1 553 . 60 ASP HA H 5.02 . 1 554 . 60 ASP HB2 H 3.48 . 2 555 . 60 ASP HB3 H 2.42 . 2 556 . 60 ASP CA C 52.7 . 1 557 . 60 ASP CB C 41.7 . 1 558 . 60 ASP N N 120.1 . 1 559 . 61 THR H H 7.62 . 1 560 . 61 THR HA H 4.07 . 1 561 . 61 THR HB H 4.42 . 1 562 . 61 THR HG2 H 1.19 . 1 563 . 61 THR CA C 64.5 . 1 564 . 61 THR CB C 68.7 . 1 565 . 61 THR CG2 C 21.8 . 1 566 . 61 THR N N 106.1 . 1 567 . 62 MET H H 8.42 . 1 568 . 62 MET HA H 4.7 . 1 569 . 62 MET HB2 H 2.33 . 2 570 . 62 MET HB3 H 2.13 . 2 571 . 62 MET HG2 H 2.57 . 2 572 . 62 MET HG3 H 2.52 . 2 573 . 62 MET HE H 2.1 . 1 574 . 62 MET CA C 54.3 . 1 575 . 62 MET CB C 32.6 . 1 576 . 62 MET CG C 32.6 . 1 577 . 62 MET CE C 16.9 . 1 578 . 62 MET N N 120.2 . 1 579 . 63 GLY H H 8.24 . 1 580 . 63 GLY HA2 H 4.25 . 2 581 . 63 GLY HA3 H 3.67 . 2 582 . 63 GLY CA C 45.2 . 1 583 . 63 GLY N N 108.5 . 1 584 . 64 ARG H H 8.99 . 1 585 . 64 ARG HA H 4.53 . 1 586 . 64 ARG HB2 H 2.06 . 1 587 . 64 ARG HB3 H 2.06 . 1 588 . 64 ARG HG2 H 1.75 . 2 589 . 64 ARG HG3 H 1.62 . 2 590 . 64 ARG HD2 H 3.4 . 2 591 . 64 ARG HD3 H 3.00 . 2 592 . 64 ARG CA C 54.3 . 1 593 . 64 ARG CG C 27.6 . 1 594 . 64 ARG CD C 42.8 . 1 595 . 64 ARG N N 124.00 . 1 596 . 65 PRO HA H 4.67 . 1 597 . 65 PRO HB2 H 2.28 . 2 598 . 65 PRO HB3 H 1.93 . 2 599 . 65 PRO HG2 H 2.24 . 2 600 . 65 PRO HG3 H 2.13 . 2 601 . 65 PRO HD2 H 3.89 . 2 602 . 65 PRO HD3 H 3.71 . 2 603 . 65 PRO CA C 61.9 . 1 604 . 65 PRO CB C 32.00 . 1 605 . 65 PRO CG C 27.6 . 1 606 . 65 PRO CD C 49.8 . 1 607 . 66 CYS H H 8.07 . 1 608 . 66 CYS HA H 4.51 . 1 609 . 66 CYS HB2 H 3.15 . 2 610 . 66 CYS HB3 H 2.54 . 2 611 . 66 CYS N N 119.8 . 1 612 . 67 LEU H H 9.52 . 1 613 . 67 LEU HA H 4.58 . 1 614 . 67 LEU HB2 H 1.46 . 2 615 . 67 LEU HB3 H 1.08 . 2 616 . 67 LEU HG H 1.74 . 1 617 . 67 LEU HD1 H 0.98 . 2 618 . 67 LEU HD2 H 0.61 . 2 619 . 67 LEU CA C 52.5 . 1 620 . 67 LEU CB C 42.5 . 1 621 . 67 LEU CG C 26.8 . 1 622 . 67 LEU CD1 C 23.2 . 2 623 . 67 LEU CD2 C 26.00 . 2 624 . 67 LEU N N 124.6 . 1 625 . 68 PRO HA H 4.44 . 1 626 . 68 PRO HB2 H 2.26 . 2 627 . 68 PRO HB3 H 1.88 . 2 628 . 68 PRO HG2 H 2.19 . 2 629 . 68 PRO HG3 H 2.04 . 2 630 . 68 PRO HD2 H 4.11 . 2 631 . 68 PRO HD3 H 3.52 . 2 632 . 68 PRO CA C 61.6 . 1 633 . 68 PRO CB C 31.8 . 1 634 . 68 PRO CG C 27.9 . 1 635 . 68 PRO CD C 50.1 . 1 636 . 69 TRP H H 8.69 . 1 637 . 69 TRP HA H 4.65 . 1 638 . 69 TRP HB2 H 3.89 . 2 639 . 69 TRP HB3 H 3.27 . 2 640 . 69 TRP HD1 H 7.33 . 1 641 . 69 TRP HE1 H 11.67 . 1 642 . 69 TRP HE3 H 7.81 . 1 643 . 69 TRP HZ2 H 7.44 . 3 644 . 69 TRP HZ3 H 7.15 . 3 645 . 69 TRP HH2 H 5.68 . 1 646 . 69 TRP CA C 59.00 . 1 647 . 69 TRP CB C 27.6 . 1 648 . 69 TRP CD1 C 129.7 . 1 649 . 69 TRP CE3 C 120.00 . 1 650 . 69 TRP CZ2 C 114.8 . 1 651 . 69 TRP CZ3 C 123.4 . 1 652 . 69 TRP CH2 C 123.9 . 1 653 . 69 TRP N N 121.3 . 1 654 . 69 TRP NE1 N 131.3 . 1 655 . 70 ASN H H 8.23 . 1 656 . 70 ASN HA H 4.65 . 1 657 . 70 ASN HB2 H 3.14 . 2 658 . 70 ASN HB3 H 2.05 . 2 659 . 70 ASN CA C 51.2 . 1 660 . 70 ASN CB C 38.1 . 1 661 . 70 ASN N N 112.6 . 1 662 . 71 SER H H 7.54 . 1 663 . 71 SER HA H 4.26 . 1 664 . 71 SER HB2 H 4.27 . 2 665 . 71 SER HB3 H 3.97 . 2 666 . 71 SER CA C 58.3 . 1 667 . 71 SER CB C 65.1 . 1 668 . 71 SER N N 114.5 . 1 669 . 72 ALA H H 8.84 . 1 670 . 72 ALA HA H 3.91 . 1 671 . 72 ALA HB H 1.46 . 1 672 . 72 ALA CA C 55.6 . 1 673 . 72 ALA CB C 17.9 . 1 674 . 72 ALA N N 124.2 . 1 675 . 73 THR H H 8.08 . 1 676 . 73 THR HA H 4.01 . 1 677 . 73 THR HB H 3.95 . 1 678 . 73 THR HG2 H 1.14 . 1 679 . 73 THR CA C 65.1 . 1 680 . 73 THR CB C 68.5 . 1 681 . 73 THR CG2 C 22.1 . 1 682 . 73 THR N N 108.3 . 1 683 . 74 VAL H H 7.09 . 1 684 . 74 VAL HA H 3.28 . 1 685 . 74 VAL HB H 2.06 . 1 686 . 74 VAL HG1 H 1.48 . 2 687 . 74 VAL HG2 H 0.69 . 2 688 . 74 VAL CA C 66.4 . 1 689 . 74 VAL CB C 31.3 . 1 690 . 74 VAL CG1 C 23.9 . 2 691 . 74 VAL CG2 C 26.3 . 2 692 . 74 VAL N N 124.4 . 1 693 . 75 LEU H H 8.06 . 1 694 . 75 LEU HA H 3.55 . 1 695 . 75 LEU HB2 H 1.64 . 2 696 . 75 LEU HB3 H 1.07 . 2 697 . 75 LEU HG H 1.51 . 1 698 . 75 LEU HD1 H 0.56 . 2 699 . 75 LEU HD2 H 0.29 . 2 700 . 75 LEU CA C 56.7 . 1 701 . 75 LEU CB C 41.2 . 1 702 . 75 LEU CG C 26.1 . 1 703 . 75 LEU CD1 C 25.5 . 2 704 . 75 LEU CD2 C 22.6 . 2 705 . 75 LEU N N 118.2 . 1 706 . 76 GLN H H 6.65 . 1 707 . 76 GLN HA H 4.31 . 1 708 . 76 GLN HB2 H 2.32 . 2 709 . 76 GLN HB3 H 1.95 . 2 710 . 76 GLN HG2 H 2.44 . 2 711 . 76 GLN HG3 H 2.32 . 2 712 . 76 GLN CA C 55.1 . 1 713 . 76 GLN CB C 28.7 . 1 714 . 76 GLN CG C 33.6 . 1 715 . 76 GLN N N 112.6 . 1 716 . 77 GLN H H 8.06 . 1 717 . 77 GLN HA H 4.52 . 1 718 . 77 GLN HB2 H 2.58 . 2 719 . 77 GLN HB3 H 2.18 . 2 720 . 77 GLN HG2 H 2.45 . 2 721 . 77 GLN HG3 H 1.14 . 2 722 . 77 GLN HE21 H 7.15 . 2 723 . 77 GLN HE22 H 6.99 . 2 724 . 77 GLN CA C 52.7 . 1 725 . 77 GLN CB C 28.7 . 1 726 . 77 GLN CG C 32.8 . 1 727 . 77 GLN N N 118.3 . 1 728 . 77 GLN NE2 N 114.6 . 1 729 . 78 THR H H 8.22 . 1 730 . 78 THR HA H 3.89 . 1 731 . 78 THR HB H 3.87 . 1 732 . 78 THR HG2 H 0.67 . 1 733 . 78 THR CA C 66.4 . 1 734 . 78 THR CB C 68.9 . 1 735 . 78 THR CG2 C 21.9 . 1 736 . 78 THR N N 112.9 . 1 737 . 79 TYR H H 7.86 . 1 738 . 79 TYR HA H 4.36 . 1 739 . 79 TYR HB2 H 3.58 . 2 740 . 79 TYR HB3 H 2.88 . 2 741 . 79 TYR HD1 H 7.1 . 1 742 . 79 TYR HD2 H 7.1 . 1 743 . 79 TYR HE1 H 6.85 . 1 744 . 79 TYR HE2 H 6.85 . 1 745 . 79 TYR CA C 59.6 . 1 746 . 79 TYR CB C 39.9 . 1 747 . 79 TYR CD1 C 132.00 . 1 748 . 79 TYR CD2 C 132.00 . 1 749 . 79 TYR CE1 C 118.7 . 1 750 . 79 TYR CE2 C 118.7 . 1 751 . 79 TYR N N 117.1 . 1 752 . 80 HIS H H 5.82 . 1 753 . 80 HIS HA H 5.25 . 1 754 . 80 HIS HB2 H 3.77 . 2 755 . 80 HIS HB3 H 3.21 . 2 756 . 80 HIS HD2 H 7.4 . 1 757 . 80 HIS HE1 H 7.42 . 1 758 . 80 HIS CA C 54.3 . 1 759 . 80 HIS CB C 33.4 . 1 760 . 80 HIS CD2 C 121.3 . 1 761 . 80 HIS CE1 C 138.1 . 1 762 . 80 HIS N N 110.2 . 1 763 . 81 ALA H H 8.02 . 1 764 . 81 ALA HA H 4.01 . 1 765 . 81 ALA HB H 1.2 . 1 766 . 81 ALA CA C 53.00 . 1 767 . 81 ALA CB C 19.5 . 1 768 . 81 ALA N N 115.6 . 1 769 . 82 HIS H H 10.47 . 1 770 . 82 HIS HA H 5.23 . 1 771 . 82 HIS HB2 H 3.71 . 2 772 . 82 HIS HB3 H 3.33 . 2 773 . 82 HIS HD2 H 6.94 . 1 774 . 82 HIS HE1 H 8.65 . 1 775 . 82 HIS CA C 53.00 . 1 776 . 82 HIS CB C 28.7 . 1 777 . 82 HIS CD2 C 117.1 . 1 778 . 82 HIS CE1 C 136.3 . 1 779 . 82 HIS N N 116.8 . 1 780 . 83 ARG H H 7.07 . 1 781 . 83 ARG HA H 4.3 . 1 782 . 83 ARG HB2 H 2.51 . 2 783 . 83 ARG HB3 H 1.45 . 2 784 . 83 ARG HG2 H 1.43 . 2 785 . 83 ARG HG3 H 0.65 . 2 786 . 83 ARG HD2 H 3.85 . 2 787 . 83 ARG HD3 H 2.87 . 2 788 . 83 ARG CA C 56.4 . 1 789 . 83 ARG CB C 33.6 . 1 790 . 83 ARG CG C 28.1 . 1 791 . 83 ARG CD C 43.8 . 1 792 . 83 ARG N N 120.5 . 1 793 . 84 SER H H 9.3 . 1 794 . 84 SER HA H 4.28 . 1 795 . 84 SER HB2 H 4.03 . 1 796 . 84 SER HB3 H 4.03 . 1 797 . 84 SER CA C 61.1 . 1 798 . 84 SER CB C 62.4 . 1 799 . 84 SER N N 118.8 . 1 800 . 85 ASP H H 8.05 . 1 801 . 85 ASP HA H 4.88 . 1 802 . 85 ASP HB2 H 3.18 . 2 803 . 85 ASP HB3 H 2.51 . 2 804 . 85 ASP CA C 51.9 . 1 805 . 85 ASP CB C 39.7 . 1 806 . 85 ASP N N 118.2 . 1 807 . 86 ALA H H 7.39 . 1 808 . 86 ALA HA H 3.64 . 1 809 . 86 ALA HB H 1.63 . 1 810 . 86 ALA CA C 56.7 . 1 811 . 86 ALA CB C 19.3 . 1 812 . 86 ALA N N 119.8 . 1 813 . 87 LEU H H 8.49 . 1 814 . 87 LEU HA H 4.18 . 1 815 . 87 LEU HB2 H 1.73 . 2 816 . 87 LEU HB3 H 1.64 . 2 817 . 87 LEU HG H 1.65 . 1 818 . 87 LEU HD1 H 0.93 . 2 819 . 87 LEU HD2 H 0.86 . 2 820 . 87 LEU CA C 58.00 . 1 821 . 87 LEU CB C 40.9 . 1 822 . 87 LEU CG C 26.8 . 1 823 . 87 LEU CD1 C 24.2 . 1 824 . 87 LEU CD2 C 24.2 . 1 825 . 87 LEU N N 116.5 . 1 826 . 88 GLN H H 7.98 . 1 827 . 88 GLN HA H 4.07 . 1 828 . 88 GLN HB2 H 2.23 . 2 829 . 88 GLN HB3 H 2.16 . 2 830 . 88 GLN HG2 H 2.56 . 2 831 . 88 GLN HG3 H 2.44 . 2 832 . 88 GLN CA C 58.8 . 1 833 . 88 GLN CB C 27.9 . 1 834 . 88 GLN CG C 34.2 . 1 835 . 88 GLN N N 119.3 . 1 836 . 89 LEU H H 7.47 . 1 837 . 89 LEU HA H 4.24 . 1 838 . 89 LEU HB2 H 1.57 . 2 839 . 89 LEU HB3 H 1.26 . 2 840 . 89 LEU HG H 1.81 . 1 841 . 89 LEU HD1 H 0.88 . 2 842 . 89 LEU HD2 H 0.86 . 2 843 . 89 LEU CA C 54.1 . 1 844 . 89 LEU CB C 43.6 . 1 845 . 89 LEU CG C 26.1 . 1 846 . 89 LEU CD1 C 21.6 . 2 847 . 89 LEU CD2 C 24.7 . 2 848 . 89 LEU N N 115.7 . 1 849 . 90 GLY H H 7.65 . 1 850 . 90 GLY HA2 H 3.88 . 2 851 . 90 GLY HA3 H 3.66 . 2 852 . 90 GLY CA C 45.9 . 1 853 . 90 GLY N N 106.1 . 1 854 . 91 LEU H H 8.14 . 1 855 . 91 LEU HA H 3.6 . 1 856 . 91 LEU HB2 H 1.59 . 2 857 . 91 LEU HB3 H 0.41 . 2 858 . 91 LEU HG H 1.1 . 1 859 . 91 LEU HD1 H 0.51 . 2 860 . 91 LEU HD2 H -1.03 . 2 861 . 91 LEU CA C 52.7 . 1 862 . 91 LEU CB C 40.2 . 1 863 . 91 LEU CG C 25.3 . 1 864 . 91 LEU CD1 C 26.1 . 2 865 . 91 LEU CD2 C 18.5 . 2 866 . 91 LEU N N 118.8 . 1 867 . 92 GLY H H 5.36 . 1 868 . 92 GLY HA2 H 4.37 . 2 869 . 92 GLY HA3 H 3.65 . 2 870 . 92 GLY CA C 44.6 . 1 871 . 92 GLY N N 107.5 . 1 872 . 93 LYS H H 8.51 . 1 873 . 93 LYS HA H 4.2 . 1 874 . 93 LYS HB2 H 1.74 . 1 875 . 93 LYS HB3 H 1.74 . 1 876 . 93 LYS HG2 H 1.54 . 2 877 . 93 LYS HG3 H 1.26 . 2 878 . 93 LYS HD2 H 1.78 . 1 879 . 93 LYS HD3 H 1.78 . 1 880 . 93 LYS HE2 H 3.06 . 1 881 . 93 LYS HE3 H 3.06 . 1 882 . 93 LYS CA C 55.1 . 1 883 . 93 LYS CB C 29.7 . 1 884 . 93 LYS CG C 24.5 . 1 885 . 93 LYS CD C 29.7 . 1 886 . 93 LYS CE C 41.8 . 1 887 . 93 LYS N N 122.6 . 1 888 . 94 HIS H H 8.19 . 1 889 . 94 HIS HA H 4.59 . 1 890 . 94 HIS HB2 H 2.97 . 2 891 . 94 HIS HB3 H 1.77 . 2 892 . 94 HIS HD2 H 6.87 . 1 893 . 94 HIS HE1 H 7.73 . 1 894 . 94 HIS CA C 54.3 . 1 895 . 94 HIS CB C 31.6 . 1 896 . 94 HIS CE1 C 137.3 . 1 897 . 94 HIS N N 118.6 . 1 898 . 95 ASN H H 7.47 . 1 899 . 95 ASN HA H 4.77 . 1 900 . 95 ASN HB2 H 2.43 . 2 901 . 95 ASN HB3 H 1.81 . 2 902 . 95 ASN CA C 50.7 . 1 903 . 95 ASN CB C 38.4 . 1 904 . 95 ASN N N 119.8 . 1 905 . 96 TYR H H 10.11 . 1 906 . 96 TYR HA H 5.38 . 1 907 . 96 TYR HB2 H 3.46 . 2 908 . 96 TYR HB3 H 2.6 . 2 909 . 96 TYR HD1 H 6.28 . 1 910 . 96 TYR HD2 H 6.28 . 1 911 . 96 TYR HE1 H 6.73 . 1 912 . 96 TYR HE2 H 6.73 . 1 913 . 96 TYR CA C 53.9 . 1 914 . 96 TYR CB C 38.1 . 1 915 . 96 TYR CD1 C 133.1 . 1 916 . 96 TYR CD2 C 133.1 . 1 917 . 96 TYR CE1 C 117.1 . 1 918 . 96 TYR CE2 C 117.1 . 1 919 . 96 TYR N N 117.4 . 1 920 . 97 CYS H H 9.08 . 1 921 . 97 CYS HA H 4.51 . 1 922 . 97 CYS HB2 H 3.18 . 2 923 . 97 CYS HB3 H 2.62 . 2 924 . 97 CYS N N 118.3 . 1 925 . 98 ARG H H 9.13 . 1 926 . 98 ARG HA H 5.00 . 1 927 . 98 ARG HB2 H 1.45 . 2 928 . 98 ARG HB3 H 1.01 . 2 929 . 98 ARG HG2 H 1.96 . 2 930 . 98 ARG HG3 H 1.16 . 2 931 . 98 ARG HD2 H 3.77 . 2 932 . 98 ARG HD3 H 3.05 . 2 933 . 98 ARG CA C 52.5 . 1 934 . 98 ARG CB C 35.7 . 1 935 . 98 ARG CG C 26.8 . 1 936 . 98 ARG CD C 43.3 . 1 937 . 98 ARG N N 121.6 . 1 938 . 99 ASN H H 8.3 . 1 939 . 99 ASN HA H 5.34 . 1 940 . 99 ASN HB2 H 2.49 . 2 941 . 99 ASN HB3 H 1.95 . 2 942 . 99 ASN CA C 49.6 . 1 943 . 99 ASN CB C 37.8 . 1 944 . 99 ASN N N 110.5 . 1 945 . 100 PRO HA H 4.39 . 1 946 . 100 PRO HB2 H 1.76 . 2 947 . 100 PRO HB3 H 1.63 . 2 948 . 100 PRO HG2 H 1.03 . 2 949 . 100 PRO HG3 H 0.99 . 2 950 . 100 PRO HD2 H 3.36 . 2 951 . 100 PRO HD3 H 2.55 . 2 952 . 100 PRO CA C 64.3 . 1 953 . 100 PRO CB C 33.9 . 1 954 . 100 PRO CG C 26.8 . 1 955 . 100 PRO CD C 49.1 . 1 956 . 101 ASP H H 9.24 . 1 957 . 101 ASP HA H 4.51 . 1 958 . 101 ASP HB2 H 3.03 . 2 959 . 101 ASP HB3 H 2.54 . 2 960 . 101 ASP CA C 52.4 . 1 961 . 101 ASP CB C 38.9 . 1 962 . 101 ASP N N 115.4 . 1 963 . 102 ASN H H 7.16 . 1 964 . 102 ASN HA H 4.02 . 1 965 . 102 ASN HB2 H 2.78 . 2 966 . 102 ASN HB3 H 2.64 . 2 967 . 102 ASN CA C 55.6 . 1 968 . 102 ASN CB C 36.3 . 1 969 . 102 ASN N N 112.00 . 1 970 . 103 ARG H H 9.07 . 1 971 . 103 ARG HA H 4.39 . 1 972 . 103 ARG HB2 H 2.15 . 2 973 . 103 ARG HB3 H 1.81 . 2 974 . 103 ARG HG2 H 1.84 . 2 975 . 103 ARG HG3 H 1.54 . 2 976 . 103 ARG HD2 H 2.68 . 2 977 . 103 ARG HD3 H 2.45 . 2 978 . 103 ARG CA C 57.2 . 1 979 . 103 ARG CB C 30.2 . 1 980 . 103 ARG CG C 27.9 . 1 981 . 103 ARG CD C 42.5 . 1 982 . 103 ARG N N 117.5 . 1 983 . 104 ARG H H 8.43 . 1 984 . 104 ARG HA H 4.09 . 1 985 . 104 ARG HB2 H 1.96 . 2 986 . 104 ARG HB3 H 1.91 . 2 987 . 104 ARG HG2 H 1.74 . 2 988 . 104 ARG HG3 H 1.67 . 2 989 . 104 ARG HD2 H 3.24 . 1 990 . 104 ARG HD3 H 3.24 . 1 991 . 104 ARG CA C 59.00 . 1 992 . 104 ARG CB C 30.5 . 1 993 . 104 ARG CG C 26.8 . 1 994 . 104 ARG CD C 43.3 . 1 995 . 104 ARG N N 117.2 . 1 996 . 105 ARG H H 7.26 . 1 997 . 105 ARG HA H 4.51 . 1 998 . 105 ARG HB2 H 1.89 . 2 999 . 105 ARG HB3 H 1.47 . 2 1000 . 105 ARG HG2 H 1.58 . 2 1001 . 105 ARG HG3 H 1.5 . 2 1002 . 105 ARG HD2 H 3.23 . 1 1003 . 105 ARG HD3 H 3.23 . 1 1004 . 105 ARG CA C 53.5 . 1 1005 . 105 ARG CB C 30.5 . 1 1006 . 105 ARG CG C 25.2 . 1 1007 . 105 ARG CD C 43.8 . 1 1008 . 105 ARG N N 110.8 . 1 1009 . 106 PRO HA H 4.03 . 1 1010 . 106 PRO HB2 H 1.58 . 1 1011 . 106 PRO HB3 H 1.58 . 1 1012 . 106 PRO CA C 63.7 . 1 1013 . 107 TRP H H 8.99 . 1 1014 . 107 TRP HA H 5.42 . 1 1015 . 107 TRP HB2 H 3.36 . 2 1016 . 107 TRP HB3 H 2.93 . 2 1017 . 107 TRP HD1 H 7.28 . 1 1018 . 107 TRP HE1 H 10.03 . 1 1019 . 107 TRP HE3 H 7.00 . 1 1020 . 107 TRP HZ2 H 6.46 . 3 1021 . 107 TRP HZ3 H 5.43 . 3 1022 . 107 TRP HH2 H 7.22 . 1 1023 . 107 TRP CA C 55.5 . 1 1024 . 107 TRP CB C 33.6 . 1 1025 . 107 TRP CD1 C 129.2 . 1 1026 . 107 TRP CE3 C 121.6 . 1 1027 . 107 TRP CZ2 C 113.5 . 1 1028 . 107 TRP CZ3 C 122.1 . 1 1029 . 107 TRP CH2 C 122.4 . 1 1030 . 107 TRP N N 120.5 . 1 1031 . 108 CYS H H 9.15 . 1 1032 . 108 CYS HA H 4.63 . 1 1033 . 108 CYS HB2 H 3.48 . 2 1034 . 108 CYS HB3 H 2.9 . 2 1035 . 108 CYS N N 111.7 . 1 1036 . 109 TYR H H 8.53 . 1 1037 . 109 TYR HA H 5.14 . 1 1038 . 109 TYR HB2 H 2.71 . 2 1039 . 109 TYR HB3 H 2.53 . 2 1040 . 109 TYR HD1 H 6.9 . 1 1041 . 109 TYR HD2 H 6.9 . 1 1042 . 109 TYR HE1 H 6.88 . 1 1043 . 109 TYR HE2 H 6.88 . 1 1044 . 109 TYR CA C 58.3 . 1 1045 . 109 TYR CB C 39.4 . 1 1046 . 109 TYR CE1 C 118.7 . 1 1047 . 109 TYR CE2 C 118.7 . 1 1048 . 109 TYR N N 118.00 . 1 1049 . 110 VAL H H 9.02 . 1 1050 . 110 VAL HA H 4.3 . 1 1051 . 110 VAL HB H 1.68 . 1 1052 . 110 VAL HG1 H 0.97 . 2 1053 . 110 VAL HG2 H 0.81 . 2 1054 . 110 VAL CA C 60.3 . 1 1055 . 110 VAL CB C 36.5 . 1 1056 . 110 VAL CG1 C 21.8 . 2 1057 . 110 VAL CG2 C 21.00 . 2 1058 . 110 VAL N N 120.5 . 1 1059 . 111 GLN H H 8.82 . 1 1060 . 111 GLN HA H 4.16 . 1 1061 . 111 GLN HB2 H 2.1 . 2 1062 . 111 GLN HB3 H 1.94 . 2 1063 . 111 GLN HG2 H 2.28 . 2 1064 . 111 GLN HG3 H 1.95 . 2 1065 . 111 GLN HE21 H 6.61 . 2 1066 . 111 GLN HE22 H 6.99 . 2 1067 . 111 GLN CA C 55.9 . 1 1068 . 111 GLN CB C 28.2 . 1 1069 . 111 GLN CG C 33.1 . 1 1070 . 111 GLN N N 125.4 . 1 1071 . 111 GLN NE2 N 111.1 . 1 1072 . 112 VAL H H 8.47 . 1 1073 . 112 VAL HA H 4.18 . 1 1074 . 112 VAL HB H 2.09 . 1 1075 . 112 VAL HG1 H 0.91 . 2 1076 . 112 VAL HG2 H 0.85 . 2 1077 . 112 VAL CA C 62.2 . 1 1078 . 112 VAL CB C 32.1 . 1 1079 . 112 VAL CG1 C 21.1 . 2 1080 . 112 VAL CG2 C 20.6 . 2 1081 . 112 VAL N N 131.7 . 1 1082 . 113 GLY H H 8.76 . 1 1083 . 113 GLY HA2 H 4.05 . 2 1084 . 113 GLY HA3 H 3.69 . 2 1085 . 113 GLY CA C 46.5 . 1 1086 . 113 GLY N N 115.9 . 1 1087 . 114 LEU H H 8.85 . 1 1088 . 114 LEU HA H 4.21 . 1 1089 . 114 LEU HB2 H 1.78 . 1 1090 . 114 LEU HB3 H 1.78 . 1 1091 . 114 LEU HG H 1.67 . 1 1092 . 114 LEU HD1 H 0.95 . 2 1093 . 114 LEU HD2 H 0.86 . 2 1094 . 114 LEU CA C 55.4 . 1 1095 . 114 LEU CB C 42.3 . 1 1096 . 114 LEU CG C 26.8 . 1 1097 . 114 LEU CD1 C 25.00 . 2 1098 . 114 LEU CD2 C 22.5 . 2 1099 . 114 LEU N N 124.2 . 1 1100 . 115 LYS H H 7.62 . 1 1101 . 115 LYS HA H 4.91 . 1 1102 . 115 LYS HB2 H 1.76 . 1 1103 . 115 LYS HB3 H 1.76 . 1 1104 . 115 LYS HG2 H 1.41 . 1 1105 . 115 LYS HG3 H 1.41 . 1 1106 . 115 LYS HD2 H 1.75 . 1 1107 . 115 LYS HD3 H 1.75 . 1 1108 . 115 LYS HE2 H 3.04 . 1 1109 . 115 LYS HE3 H 3.04 . 1 1110 . 115 LYS CA C 53.00 . 1 1111 . 115 LYS CB C 34.9 . 1 1112 . 115 LYS CG C 24.2 . 1 1113 . 115 LYS CD C 28.7 . 1 1114 . 115 LYS CE C 42.00 . 1 1115 . 115 LYS N N 118.4 . 1 1116 . 116 PRO HA H 4.9 . 1 1117 . 116 PRO HB2 H 1.66 . 2 1118 . 116 PRO HB3 H 1.48 . 2 1119 . 116 PRO HG2 H 1.98 . 2 1120 . 116 PRO HG3 H 1.75 . 2 1121 . 116 PRO HD2 H 3.71 . 2 1122 . 116 PRO HD3 H 3.64 . 2 1123 . 116 PRO CA C 61.1 . 1 1124 . 116 PRO CB C 31.00 . 1 1125 . 116 PRO CG C 27.1 . 1 1126 . 116 PRO CD C 49.6 . 1 1127 . 117 LEU H H 9.25 . 1 1128 . 117 LEU HA H 4.9 . 1 1129 . 117 LEU HB2 H 1.67 . 2 1130 . 117 LEU HB3 H 1.63 . 2 1131 . 117 LEU HG H 1.75 . 1 1132 . 117 LEU HD1 H 0.97 . 2 1133 . 117 LEU HD2 H 0.95 . 2 1134 . 117 LEU CA C 53.3 . 1 1135 . 117 LEU CB C 46.1 . 1 1136 . 117 LEU CG C 26.8 . 1 1137 . 117 LEU CD1 C 24.8 . 2 1138 . 117 LEU CD2 C 23.9 . 2 1139 . 117 LEU N N 123.9 . 1 1140 . 118 VAL H H 8.38 . 1 1141 . 118 VAL HA H 3.8 . 1 1142 . 118 VAL HB H 1.66 . 1 1143 . 118 VAL HG1 H 0.59 . 2 1144 . 118 VAL HG2 H 0.11 . 2 1145 . 118 VAL CA C 64.5 . 1 1146 . 118 VAL CB C 31.3 . 1 1147 . 118 VAL CG1 C 21.8 . 2 1148 . 118 VAL CG2 C 19.3 . 2 1149 . 118 VAL N N 123.2 . 1 1150 . 119 GLN H H 9.15 . 1 1151 . 119 GLN HA H 4.69 . 1 1152 . 119 GLN HB2 H 2.38 . 2 1153 . 119 GLN HB3 H 1.97 . 2 1154 . 119 GLN HG2 H 2.53 . 2 1155 . 119 GLN HG3 H 2.22 . 2 1156 . 119 GLN CA C 53.5 . 1 1157 . 119 GLN CB C 33.9 . 1 1158 . 119 GLN CG C 33.9 . 1 1159 . 119 GLN N N 127.00 . 1 1160 . 120 GLU H H 8.57 . 1 1161 . 120 GLU HA H 4.27 . 1 1162 . 120 GLU HB2 H 2.04 . 2 1163 . 120 GLU HB3 H 1.92 . 2 1164 . 120 GLU HG2 H 2.48 . 1 1165 . 120 GLU HG3 H 2.29 . 2 1166 . 120 GLU CA C 56.7 . 1 1167 . 120 GLU CB C 29.9 . 1 1168 . 120 GLU CG C 37.3 . 1 1169 . 120 GLU N N 118.7 . 1 1170 . 121 CYS H H 8.36 . 1 1171 . 121 CYS HA H 4.75 . 1 1172 . 121 CYS HB2 H 2.86 . 1 1173 . 121 CYS HB3 H 2.86 . 1 1174 . 121 CYS N N 118.2 . 1 1175 . 122 MET H H 8.6 . 1 1176 . 122 MET HA H 4.4 . 1 1177 . 122 MET HB2 H 2.51 . 2 1178 . 122 MET HB3 H 2.39 . 2 1179 . 122 MET HG2 H 2.08 . 2 1180 . 122 MET HG3 H 1.74 . 2 1181 . 122 MET HE H 2.1 . 1 1182 . 122 MET CA C 54.8 . 1 1183 . 122 MET CB C 32.1 . 1 1184 . 122 MET CG C 31.8 . 1 1185 . 122 MET CE C 16.9 . 1 1186 . 122 MET N N 122.9 . 1 1187 . 123 VAL H H 7.41 . 1 1188 . 123 VAL HA H 4.22 . 1 1189 . 123 VAL HB H 1.98 . 1 1190 . 123 VAL HG1 H 0.79 . 2 1191 . 123 VAL HG2 H 0.6 . 2 1192 . 123 VAL CA C 60.6 . 1 1193 . 123 VAL CB C 32.8 . 1 1194 . 123 VAL CG1 C 20.5 . 2 1195 . 123 VAL CG2 C 19.8 . 2 1196 . 123 VAL N N 122.8 . 1 1197 . 124 HIS H H 8.72 . 1 1198 . 124 HIS HA H 4.94 . 1 1199 . 124 HIS HB2 H 3.26 . 2 1200 . 124 HIS HB3 H 3.15 . 2 1201 . 124 HIS HD2 H 7.3 . 1 1202 . 124 HIS HE1 H 8.6 . 1 1203 . 124 HIS CA C 54.3 . 1 1204 . 124 HIS CB C 30.3 . 1 1205 . 124 HIS CD2 C 120.00 . 1 1206 . 124 HIS CE1 C 136.8 . 1 1207 . 124 HIS N N 122.8 . 1 1208 . 125 ASP H H 8.54 . 1 1209 . 125 ASP HA H 4.32 . 1 1210 . 125 ASP HB2 H 3.2 . 2 1211 . 125 ASP HB3 H 2.55 . 2 1212 . 125 ASP CA C 52.5 . 1 1213 . 125 ASP CB C 42.3 . 1 1214 . 125 ASP N N 120.9 . 1 1215 . 127 ALA H H 8.71 . 1 1216 . 127 ALA HA H 4.34 . 1 1217 . 127 ALA HB H 1.4 . 1 1218 . 127 ALA CA C 52.5 . 1 1219 . 127 ALA CB C 19.00 . 1 1220 . 127 ALA N N 122.5 . 1 1221 . 128 ASP H H 7.96 . 1 1222 . 128 ASP HA H 4.79 . 1 1223 . 128 ASP HB2 H 3.24 . 2 1224 . 128 ASP HB3 H 2.86 . 2 1225 . 128 ASP CA C 51.4 . 1 1226 . 128 ASP CB C 37.1 . 1 1227 . 128 ASP N N 116.8 . 1 1228 . 129 GLY H H 8.17 . 1 1229 . 129 GLY HA2 H 3.93 . 1 1230 . 129 GLY HA3 H 3.93 . 1 1231 . 129 GLY CA C 45.3 . 1 1232 . 129 GLY N N 108.6 . 1 1233 . 130 LYS H H 7.75 . 1 1234 . 130 LYS HA H 4.12 . 1 1235 . 130 LYS HB2 H 1.85 . 2 1236 . 130 LYS HB3 H 1.74 . 2 1237 . 130 LYS HG2 H 1.4 . 1 1238 . 130 LYS HG3 H 1.4 . 1 1239 . 130 LYS HD2 H 1.69 . 1 1240 . 130 LYS HD3 H 1.69 . 1 1241 . 130 LYS HE2 H 3.02 . 1 1242 . 130 LYS HE3 H 3.02 . 1 1243 . 130 LYS CA C 57.2 . 1 1244 . 130 LYS CB C 33.4 . 1 1245 . 130 LYS CG C 24.7 . 1 1246 . 130 LYS CD C 28.9 . 1 1247 . 130 LYS CE C 42.00 . 1 1248 . 130 LYS N N 124.6 . 1 stop_ save_