data_4162 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Resonance Assignment of the Neural Cell Adhesion Molecule Module-1 ; _BMRB_accession_number 4162 _BMRB_flat_file_name bmr4162.str _Entry_type original _Submission_date 1998-07-14 _Accession_date 1998-07-14 _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 Jensen Peter H. . 2 Thomsen Niels K. . 3 Soroka Vladislav . . 4 Berezin Vladimir . . 5 Bock Elisabeth . . 6 Poulsen Flemming M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 575 "13C chemical shifts" 377 "15N chemical shifts" 112 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-03-08 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 4143 'Neural Cell Adhesion Molecule module 2' stop_ _Original_release_date 2000-03-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Jensen, P. H., Thomsen, N. K., Soroka, V., Berezin, V., Bock, E., and Poulsen, F. M., "1H, 13C and 15N Resonance Assignment of the Neural Cell Adhesion Molecule Module-1," J. Biomol. NMR 14, 185-186 (1999). ; _Citation_title ; 1H, 13C and 15N Resonance Assignment of the Neural Cell Adhesion Molecule Module-1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 99356752 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jensen Peter H. . 2 Thomsen Niels K. . 3 Soroka Vladislav . . 4 Berezin Vladimir . . 5 Bock Elisabeth . . 6 Poulsen Flemming M. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 14 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 185 _Page_last 186 _Year 1999 _Details . loop_ _Keyword M1 'Module 1' NCAM 'Neural Cell Adhesion Molecule' NMR 'nuclear magnetic resonance' protein stop_ save_ ################################## # Molecular system description # ################################## save_system_NCAM_M1 _Saveframe_category molecular_system _Mol_system_name 'Neural cell adhesion molecule module 1' _Abbreviation_common 'NCAM M1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NCAM M1' $NCAM_M1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Biological_function 'Cell adhesion' 'Heterophilic binding' 'Homophilic binding' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_NCAM_M1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Neural cell adhesion molecule module 1' _Abbreviation_common 'NCAM M1' _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 99 _Mol_residue_sequence ; RVLQVDIVPSQGEISVGESK FFLCQVAGDAKDKDISWFSP NGEKLSPNQQRISVVWNDDD SSTLTIYNANIDDAGIYKCV VTAEDGTQSEATVNVKIFQ ; loop_ _Residue_seq_code _Residue_label 1 ARG 2 VAL 3 LEU 4 GLN 5 VAL 6 ASP 7 ILE 8 VAL 9 PRO 10 SER 11 GLN 12 GLY 13 GLU 14 ILE 15 SER 16 VAL 17 GLY 18 GLU 19 SER 20 LYS 21 PHE 22 PHE 23 LEU 24 CYS 25 GLN 26 VAL 27 ALA 28 GLY 29 ASP 30 ALA 31 LYS 32 ASP 33 LYS 34 ASP 35 ILE 36 SER 37 TRP 38 PHE 39 SER 40 PRO 41 ASN 42 GLY 43 GLU 44 LYS 45 LEU 46 SER 47 PRO 48 ASN 49 GLN 50 GLN 51 ARG 52 ILE 53 SER 54 VAL 55 VAL 56 TRP 57 ASN 58 ASP 59 ASP 60 ASP 61 SER 62 SER 63 THR 64 LEU 65 THR 66 ILE 67 TYR 68 ASN 69 ALA 70 ASN 71 ILE 72 ASP 73 ASP 74 ALA 75 GLY 76 ILE 77 TYR 78 LYS 79 CYS 80 VAL 81 VAL 82 THR 83 ALA 84 GLU 85 ASP 86 GLY 87 THR 88 GLN 89 SER 90 GLU 91 ALA 92 THR 93 VAL 94 ASN 95 VAL 96 LYS 97 ILE 98 PHE 99 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-04 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 1EPF "Crystal Structure Of The Two N-Terminal Immunoglobulin Domains Of The Neural Cell Adhesion Molecule (Ncam)" 100.00 191 100.00 100.00 6.07e-63 PDB 1QZ1 "Crystal Structure Of The Ig 1-2-3 Fragment Of Ncam" 100.00 291 100.00 100.00 5.47e-62 PDB 2NCM "Neural Cell Adhesion Molecule, Nmr, 20 Structures" 100.00 99 100.00 100.00 4.53e-64 DBJ BAC34554 "unnamed protein product [Mus musculus]" 97.98 839 100.00 100.00 1.78e-57 DBJ BAC38551 "unnamed protein product [Mus musculus]" 97.98 839 100.00 100.00 1.60e-57 EMBL CAA29809 "unnamed protein product [Rattus norvegicus]" 97.98 858 100.00 100.00 1.39e-57 EMBL CAA33148 "cell adhesion molecule (AA 1 - 681) (2262 is 1st base in codon) [Mus musculus]" 97.98 681 98.97 100.00 2.04e-57 EMBL CAA34470 "calmodulin-independent adenylate cyclase [Bos taurus]" 97.98 853 96.91 98.97 4.95e-56 EMBL CAA68263 "unnamed protein product [Mus musculus]" 97.98 725 100.00 100.00 9.92e-58 GB AAH11310 "Ncam1 protein [Mus musculus]" 97.98 605 100.00 100.00 5.01e-58 GB AAI01925 "Ncam1 protein [Rattus norvegicus]" 97.98 849 100.00 100.00 1.22e-57 GB AAI51710 "NCAM1 protein [Bos taurus]" 97.98 853 96.91 98.97 4.48e-56 GB AAX08690 "neural cell adhesion molecule 1 [Bos taurus]" 97.98 843 96.91 98.97 4.82e-56 GB EDL25727 "neural cell adhesion molecule 1, isoform CRA_a, partial [Mus musculus]" 71.72 560 100.00 100.00 3.81e-39 PRF 1514117A "adenylate cyclase" 97.98 853 96.91 98.97 4.95e-56 PRF 1803247A "calmodulin-insensitive adenylate cyclase" 97.98 853 96.91 98.97 4.95e-56 REF NP_001074914 "neural cell adhesion molecule 1 isoform 1 precursor [Mus musculus]" 97.98 848 100.00 100.00 1.23e-57 REF NP_001106675 "neural cell adhesion molecule 1 isoform 3 precursor [Mus musculus]" 97.98 1115 100.00 100.00 5.87e-58 REF NP_001297994 "neural cell adhesion molecule 1 isoform 4 precursor [Mus musculus]" 97.98 849 100.00 100.00 1.20e-57 REF NP_035005 "neural cell adhesion molecule 1 isoform 2 precursor [Mus musculus]" 97.98 725 100.00 100.00 1.04e-57 REF NP_113709 "neural cell adhesion molecule 1 precursor [Rattus norvegicus]" 97.98 858 100.00 100.00 1.39e-57 SP P13595 "RecName: Full=Neural cell adhesion molecule 1; Short=N-CAM-1; Short=NCAM-1; AltName: CD_antigen=CD56; Flags: Precursor" 97.98 1115 100.00 100.00 6.17e-58 SP P13596 "RecName: Full=Neural cell adhesion molecule 1; Short=N-CAM-1; Short=NCAM-1; AltName: CD_antigen=CD56; Flags: Precursor" 97.98 858 100.00 100.00 1.39e-57 SP P31836 "RecName: Full=Neural cell adhesion molecule 1; Short=N-CAM-1; Short=NCAM-1; Flags: Precursor" 97.98 853 96.91 98.97 4.95e-56 TPG DAA22362 "TPA: neural cell adhesion molecule 1 precursor [Bos taurus]" 97.98 853 96.91 98.97 4.48e-56 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $NCAM_M1 Fungi 4922 Eukaryota Fungi Pichia pastoris 'strain His 4 GS-115' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $NCAM_M1 'purified from the natural source' . . . . . 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 $NCAM_M1 2.0 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_two _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NCAM_M1 1.0 mM [U-15N] H2O 90 % . D2O 10 % . stop_ save_ save_sample_three _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NCAM_M1 1.0 mM '[U-15N; U-13C]' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_one _Saveframe_category software _Name PRONTO _Version 970801 loop_ _Vendor _Address _Electronic_address 'Carlsberg A/S' 'gamle carlsberg vej 10, DK-2500 Valby' fmp@crc.dk stop_ loop_ _Task assignment stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . n/a temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_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 . C 13 . ppm . . . . . . DSS H 1 methyl ppm 0.00 internal direct . . . . N 15 . ppm . . . . . . 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_chemical_shifts_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one $sample_two $sample_three stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name 'NCAM M1' _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 ARG HA H 4.08 . 1 2 . 1 ARG HB2 H 1.81 . 2 3 . 1 ARG HB3 H 1.86 . 2 4 . 1 ARG HG2 H 1.56 . 2 5 . 1 ARG HG3 H 1.64 . 2 6 . 1 ARG HD2 H 3.12 . 2 7 . 1 ARG HD3 H 3.18 . 2 8 . 1 ARG HE H 7.48 . 1 9 . 1 ARG C C 172.9 . 1 10 . 1 ARG CA C 54.58 . 1 11 . 1 ARG CB C 30.95 . 1 12 . 1 ARG CG C 26.60 . 1 13 . 1 ARG CD C 42.83 . 1 14 . 1 ARG N N 122.65 . 1 15 . 1 ARG NE N 82.78 . 1 16 . 2 VAL H H 8.97 . 1 17 . 2 VAL HA H 4.02 . 1 18 . 2 VAL HB H 1.92 . 1 19 . 2 VAL HG1 H 0.86 . 1 20 . 2 VAL HG2 H 0.90 . 1 21 . 2 VAL C C 175.8 . 1 22 . 2 VAL CA C 62.33 . 1 23 . 2 VAL CB C 32.85 . 1 24 . 2 VAL CG1 C 21.15 . 2 25 . 2 VAL CG2 C 20.99 . 2 26 . 2 VAL N N 122.47 . 1 27 . 3 LEU H H 8.38 . 1 28 . 3 LEU HA H 4.61 . 1 29 . 3 LEU HB2 H 1.38 . 1 30 . 3 LEU HB3 H 1.38 . 1 31 . 3 LEU HG H 1.29 . 1 32 . 3 LEU HD1 H 0.66 . 1 33 . 3 LEU HD2 H 0.66 . 1 34 . 3 LEU C C 174.1 . 1 35 . 3 LEU CA C 53.78 . 1 36 . 3 LEU CB C 43.75 . 1 37 . 3 LEU CG C 21.89 . 1 38 . 3 LEU CD1 C 25.49 . 1 39 . 3 LEU CD2 C 25.49 . 1 40 . 3 LEU N N 124.93 . 1 41 . 4 GLN H H 8.53 . 1 42 . 4 GLN HA H 4.46 . 1 43 . 4 GLN HB2 H 1.93 . 2 44 . 4 GLN HB3 H 2.24 . 2 45 . 4 GLN HG2 H 2.23 . 1 46 . 4 GLN HG3 H 2.23 . 1 47 . 4 GLN HE21 H 6.68 . 2 48 . 4 GLN HE22 H 7.87 . 2 49 . 4 GLN C C 174.2 . 1 50 . 4 GLN CA C 54.63 . 1 51 . 4 GLN CB C 30.71 . 1 52 . 4 GLN CG C 33.62 . 1 53 . 4 GLN N N 122.18 . 1 54 . 4 GLN NE2 N 111.38 . 1 55 . 5 VAL H H 8.34 . 1 56 . 5 VAL HA H 4.71 . 1 57 . 5 VAL HB H 1.58 . 1 58 . 5 VAL HG1 H 0.63 . 1 59 . 5 VAL HG2 H 0.61 . 1 60 . 5 VAL C C 174.0 . 1 61 . 5 VAL CA C 60.19 . 1 62 . 5 VAL CB C 34.34 . 1 63 . 5 VAL CG1 C 22.46 . 1 64 . 5 VAL CG2 C 22.46 . 1 65 . 5 VAL N N 123.69 . 1 66 . 6 ASP H H 8.52 . 1 67 . 6 ASP HA H 4.89 . 1 68 . 6 ASP HB2 H 2.38 . 2 69 . 6 ASP HB3 H 2.45 . 2 70 . 6 ASP C C 174.3 . 1 71 . 6 ASP CA C 52.88 . 1 72 . 6 ASP CB C 44.91 . 1 73 . 6 ASP N N 122.85 . 1 74 . 7 ILE H H 8.33 . 1 75 . 7 ILE HA H 5.30 . 1 76 . 7 ILE HB H 1.38 . 1 77 . 7 ILE HG12 H 0.62 . 2 78 . 7 ILE HG13 H 1.36 . 2 79 . 7 ILE HG2 H 1.01 . 1 80 . 7 ILE HD1 H 0.52 . 1 81 . 7 ILE C C 175.9 . 1 82 . 7 ILE CA C 59.34 . 1 83 . 7 ILE CB C 40.38 . 1 84 . 7 ILE CG1 C 28.02 . 1 85 . 7 ILE CG2 C 18.97 . 1 86 . 7 ILE CD1 C 14.55 . 1 87 . 7 ILE N N 118.53 . 1 88 . 8 VAL H H 9.12 . 1 89 . 8 VAL HA H 4.46 . 1 90 . 8 VAL HB H 2.02 . 1 91 . 8 VAL HG1 H 0.95 . 1 92 . 8 VAL HG2 H 0.88 . 1 93 . 8 VAL CA C 58.01 . 1 94 . 8 VAL CB C 35.63 . 1 95 . 8 VAL CG1 C 21.17 . 2 96 . 8 VAL CG2 C 20.99 . 2 97 . 8 VAL N N 124.12 . 1 98 . 9 PRO HA H 5.01 . 1 99 . 9 PRO HB2 H 2.44 . 2 100 . 9 PRO HB3 H 2.52 . 2 101 . 9 PRO HG2 H 1.85 . 1 102 . 9 PRO HG3 H 1.85 . 1 103 . 9 PRO HD2 H 3.33 . 2 104 . 9 PRO HD3 H 3.84 . 2 105 . 9 PRO C C 175.5 . 1 106 . 9 PRO CA C 63.20 . 1 107 . 9 PRO CB C 34.76 . 1 108 . 9 PRO CG C 25.12 . 1 109 . 9 PRO CD C 49.49 . 1 110 . 10 SER H H 8.37 . 1 111 . 10 SER HA H 4.32 . 1 112 . 10 SER HB2 H 4.23 . 2 113 . 10 SER HB3 H 4.12 . 2 114 . 10 SER C C 175.8 . 1 115 . 10 SER CA C 59.05 . 1 116 . 10 SER CB C 63.02 . 1 117 . 10 SER N N 107.01 . 1 118 . 11 GLN H H 7.66 . 1 119 . 11 GLN HA H 4.70 . 1 120 . 11 GLN HB2 H 2.28 . 2 121 . 11 GLN HB3 H 2.15 . 2 122 . 11 GLN HG2 H 2.36 . 1 123 . 11 GLN HG3 H 2.36 . 1 124 . 11 GLN HE21 H 6.84 . 2 125 . 11 GLN HE22 H 7.62 . 2 126 . 11 GLN C C 175.5 . 1 127 . 11 GLN CA C 54.63 . 1 128 . 11 GLN CB C 33.75 . 1 129 . 11 GLN CG C 30.87 . 1 130 . 11 GLN N N 116.46 . 1 131 . 11 GLN NE2 N 110.07 . 1 132 . 12 GLY H H 8.65 . 1 133 . 12 GLY HA2 H 3.52 . 2 134 . 12 GLY HA3 H 4.64 . 2 135 . 12 GLY C C 172.0 . 1 136 . 12 GLY CA C 45.44 . 1 137 . 12 GLY N N 106.05 . 1 138 . 13 GLU H H 8.50 . 1 139 . 13 GLU HA H 5.22 . 1 140 . 13 GLU HB2 H 1.94 . 2 141 . 13 GLU HB3 H 1.85 . 2 142 . 13 GLU HG2 H 2.18 . 1 143 . 13 GLU HG3 H 2.18 . 1 144 . 13 GLU C C 175.9 . 1 145 . 13 GLU CA C 55.08 . 1 146 . 13 GLU CB C 31.50 . 1 147 . 13 GLU CG C 36.39 . 1 148 . 13 GLU N N 121.68 . 1 149 . 14 ILE H H 8.67 . 1 150 . 14 ILE HA H 4.30 . 1 151 . 14 ILE HB H 1.46 . 1 152 . 14 ILE HG12 H 0.65 . 2 153 . 14 ILE HG13 H 1.39 . 2 154 . 14 ILE HG2 H 0.77 . 1 155 . 14 ILE HD1 H 0.58 . 1 156 . 14 ILE C C 175.7 . 1 157 . 14 ILE CA C 59.85 . 1 158 . 14 ILE CB C 41.44 . 1 159 . 14 ILE CG1 C 26.12 . 1 160 . 14 ILE CG2 C 18.60 . 1 161 . 14 ILE CD1 C 15.41 . 1 162 . 14 ILE N N 120.46 . 1 163 . 15 SER H H 8.62 . 1 164 . 15 SER HA H 4.76 . 1 165 . 15 SER HB2 H 3.74 . 2 166 . 15 SER HB3 H 3.50 . 2 167 . 15 SER C C 175.3 . 1 168 . 15 SER CA C 57.69 . 1 169 . 15 SER CB C 63.34 . 1 170 . 15 SER N N 120.18 . 1 171 . 16 VAL H H 8.14 . 1 172 . 16 VAL HA H 3.41 . 1 173 . 16 VAL HB H 1.93 . 1 174 . 16 VAL HG1 H 0.92 . 1 175 . 16 VAL HG2 H 0.96 . 1 176 . 16 VAL C C 178.5 . 1 177 . 16 VAL CA C 64.33 . 1 178 . 16 VAL CB C 31.93 . 1 179 . 16 VAL CG1 C 22.95 . 2 180 . 16 VAL CG2 C 21.77 . 2 181 . 16 VAL N N 119.70 . 1 182 . 17 GLY H H 9.74 . 1 183 . 17 GLY HA2 H 3.79 . 2 184 . 17 GLY HA3 H 4.31 . 2 185 . 17 GLY C C 175.5 . 1 186 . 17 GLY CA C 44.46 . 1 187 . 17 GLY N N 113.48 . 1 188 . 18 GLU H H 8.11 . 1 189 . 18 GLU HA H 4.51 . 1 190 . 18 GLU HB2 H 2.18 . 1 191 . 18 GLU HB3 H 2.18 . 1 192 . 18 GLU HG2 H 2.13 . 2 193 . 18 GLU HG3 H 2.26 . 2 194 . 18 GLU C C 174.6 . 1 195 . 18 GLU CA C 55.39 . 1 196 . 18 GLU CB C 30.69 . 1 197 . 18 GLU CG C 36.99 . 1 198 . 18 GLU N N 119.82 . 1 199 . 19 SER H H 7.96 . 1 200 . 19 SER HA H 5.60 . 1 201 . 19 SER HB2 H 3.66 . 1 202 . 19 SER HB3 H 3.66 . 1 203 . 19 SER C C 175.1 . 1 204 . 19 SER CA C 55.40 . 1 205 . 19 SER CB C 65.71 . 1 206 . 19 SER N N 109.30 . 1 207 . 20 LYS H H 8.32 . 1 208 . 20 LYS HA H 4.13 . 1 209 . 20 LYS HB2 H 1.26 . 2 210 . 20 LYS HB3 H 1.43 . 2 211 . 20 LYS HG2 H 0.74 . 2 212 . 20 LYS HG3 H 0.96 . 2 213 . 20 LYS HD2 H 1.48 . 1 214 . 20 LYS HD3 H 1.48 . 1 215 . 20 LYS HE2 H 2.65 . 2 216 . 20 LYS HE3 H 2.97 . 2 217 . 20 LYS HZ H 9.90 . 1 218 . 20 LYS C C 172.9 . 1 219 . 20 LYS CA C 55.55 . 1 220 . 20 LYS CB C 36.99 . 1 221 . 20 LYS CG C 25.75 . 1 222 . 20 LYS CD C 29.01 . 1 223 . 20 LYS CE C 41.73 . 1 224 . 20 LYS N N 121.33 . 1 225 . 21 PHE H H 6.65 . 1 226 . 21 PHE HA H 5.69 . 1 227 . 21 PHE HB2 H 2.66 . 2 228 . 21 PHE HB3 H 2.72 . 2 229 . 21 PHE HD1 H 6.87 . 1 230 . 21 PHE HD2 H 6.87 . 1 231 . 21 PHE HE1 H 7.17 . 1 232 . 21 PHE HE2 H 7.17 . 1 233 . 21 PHE HZ H 7.21 . 1 234 . 21 PHE C C 174.4 . 1 235 . 21 PHE CA C 53.15 . 1 236 . 21 PHE CB C 41.71 . 1 237 . 21 PHE N N 116.67 . 1 238 . 22 PHE H H 9.20 . 1 239 . 22 PHE HA H 4.77 . 1 240 . 22 PHE HB2 H 2.58 . 2 241 . 22 PHE HB3 H 2.84 . 2 242 . 22 PHE HD1 H 6.95 . 1 243 . 22 PHE HD2 H 6.95 . 1 244 . 22 PHE HE1 H 6.61 . 1 245 . 22 PHE HE2 H 6.61 . 1 246 . 22 PHE HZ H 6.53 . 1 247 . 22 PHE C C 174.2 . 1 248 . 22 PHE CA C 56.38 . 1 249 . 22 PHE CB C 42.23 . 1 250 . 22 PHE N N 115.77 . 1 251 . 23 LEU H H 9.06 . 1 252 . 23 LEU HA H 5.00 . 2 253 . 23 LEU HB2 H 1.52 . 2 254 . 23 LEU HB3 H 2.04 . 2 255 . 23 LEU HG H 1.37 . 2 256 . 23 LEU HD1 H 0.84 . 1 257 . 23 LEU HD2 H 0.84 . 1 258 . 23 LEU C C 175.7 . 1 259 . 23 LEU CA C 53.99 . 1 260 . 23 LEU CB C 45.07 . 1 261 . 23 LEU CG C 28.01 . 1 262 . 23 LEU CD1 C 24.44 . 2 263 . 23 LEU CD2 C 26.12 . 2 264 . 23 LEU N N 124.10 . 1 265 . 24 CYS H H 9.54 . 1 266 . 24 CYS HA H 5.09 . 1 267 . 24 CYS HB2 H 2.89 . 2 268 . 24 CYS HB3 H 3.10 . 2 269 . 24 CYS C C 173.0 . 1 270 . 24 CYS CA C 53.23 . 1 271 . 24 CYS CB C 40.78 . 1 272 . 24 CYS N N 125.13 . 1 273 . 25 GLN H H 9.06 . 1 274 . 25 GLN HA H 4.86 . 1 275 . 25 GLN HB2 H 1.87 . 2 276 . 25 GLN HB3 H 1.92 . 2 277 . 25 GLN HG2 H 2.13 . 1 278 . 25 GLN HG3 H 2.13 . 1 279 . 25 GLN HE21 H 6.70 . 2 280 . 25 GLN HE22 H 7.41 . 2 281 . 25 GLN C C 175.0 . 1 282 . 25 GLN CA C 53.69 . 1 283 . 25 GLN CB C 32.66 . 1 284 . 25 GLN CG C 33.94 . 1 285 . 25 GLN N N 123.29 . 1 286 . 25 GLN NE2 N 109.58 . 1 287 . 26 VAL H H 8.59 . 1 288 . 26 VAL HA H 4.86 . 1 289 . 26 VAL HB H 1.91 . 1 290 . 26 VAL HG1 H 0.83 . 1 291 . 26 VAL HG2 H 0.77 . 1 292 . 26 VAL C C 175.4 . 1 293 . 26 VAL CA C 59.99 . 1 294 . 26 VAL CB C 34.10 . 1 295 . 26 VAL CG1 C 23.27 . 2 296 . 26 VAL CG2 C 22.48 . 2 297 . 26 VAL N N 121.78 . 1 298 . 27 ALA H H 8.71 . 1 299 . 27 ALA HA H 4.65 . 1 300 . 27 ALA HB H 1.31 . 1 301 . 27 ALA C C 177.5 . 1 302 . 27 ALA CA C 50.73 . 1 303 . 27 ALA CB C 21.32 . 1 304 . 27 ALA N N 128.15 . 1 305 . 28 GLY H H 8.34 . 1 306 . 28 GLY HA2 H 3.66 . 2 307 . 28 GLY HA3 H 4.46 . 2 308 . 28 GLY C C 174.3 . 1 309 . 28 GLY CA C 44.51 . 1 310 . 28 GLY N N 106.45 . 1 311 . 29 ASP H H 8.30 . 1 312 . 29 ASP HA H 4.60 . 1 313 . 29 ASP HB2 H 2.56 . 2 314 . 29 ASP HB3 H 2.69 . 2 315 . 29 ASP C C 176.8 . 1 316 . 29 ASP CA C 53.30 . 1 317 . 29 ASP CB C 41.03 . 1 318 . 29 ASP N N 117.41 . 1 319 . 30 ALA H H 8.18 . 1 320 . 30 ALA HA H 4.28 . 1 321 . 30 ALA HB H 1.29 . 1 322 . 30 ALA C C 177.7 . 1 323 . 30 ALA CA C 51.92 . 1 324 . 30 ALA CB C 20.00 . 1 325 . 30 ALA N N 122.23 . 1 326 . 31 LYS H H 8.64 . 1 327 . 31 LYS HA H 4.24 . 1 328 . 31 LYS HB2 H 1.72 . 2 329 . 31 LYS HB3 H 1.75 . 2 330 . 31 LYS HG2 H 1.37 . 2 331 . 31 LYS HG3 H 1.43 . 2 332 . 31 LYS HD2 H 1.63 . 1 333 . 31 LYS HD3 H 1.63 . 1 334 . 31 LYS HE2 H 2.96 . 1 335 . 31 LYS HE3 H 2.96 . 1 336 . 31 LYS C C 177.2 . 1 337 . 31 LYS CA C 56.31 . 1 338 . 31 LYS CB C 33.27 . 1 339 . 31 LYS CG C 24.60 . 1 340 . 31 LYS CD C 29.00 . 1 341 . 31 LYS CE C 42.21 . 1 342 . 31 LYS N N 120.44 . 1 343 . 32 ASP H H 8.37 . 1 344 . 32 ASP HA H 4.62 . 1 345 . 32 ASP HB2 H 2.56 . 2 346 . 32 ASP HB3 H 2.62 . 2 347 . 32 ASP C C 175.3 . 1 348 . 32 ASP CA C 53.78 . 1 349 . 32 ASP CB C 40.50 . 1 350 . 32 ASP N N 117.26 . 1 351 . 33 LYS H H 8.13 . 1 352 . 33 LYS HA H 4.72 . 1 353 . 33 LYS HB2 H 1.53 . 1 354 . 33 LYS HB3 H 1.53 . 1 355 . 33 LYS HG2 H 1.15 . 2 356 . 33 LYS HG3 H 1.28 . 2 357 . 33 LYS HD2 H 1.50 . 1 358 . 33 LYS HD3 H 1.50 . 1 359 . 33 LYS HE2 H 2.85 . 2 360 . 33 LYS HE3 H 2.89 . 2 361 . 33 LYS C C 175.5 . 1 362 . 33 LYS CA C 54.72 . 1 363 . 33 LYS CB C 33.84 . 1 364 . 33 LYS CG C 24.61 . 1 365 . 33 LYS CD C 29.61 . 1 366 . 33 LYS CE C 41.85 . 1 367 . 33 LYS N N 115.88 . 1 368 . 34 ASP H H 8.31 . 1 369 . 34 ASP HA H 4.87 . 1 370 . 34 ASP HB2 H 2.55 . 1 371 . 34 ASP HB3 H 2.55 . 1 372 . 34 ASP C C 175.3 . 1 373 . 34 ASP CA C 53.09 . 1 374 . 34 ASP CB C 44.46 . 1 375 . 34 ASP N N 119.25 . 1 376 . 35 ILE H H 8.31 . 1 377 . 35 ILE HA H 4.44 . 1 378 . 35 ILE HB H 1.57 . 1 379 . 35 ILE HG12 H 0.65 . 2 380 . 35 ILE HG13 H 1.56 . 2 381 . 35 ILE HG2 H 0.54 . 1 382 . 35 ILE HD1 H 0.55 . 1 383 . 35 ILE C C 176.5 . 1 384 . 35 ILE CA C 61.48 . 1 385 . 35 ILE CB C 39.95 . 1 386 . 35 ILE CG1 C 27.31 . 1 387 . 35 ILE CG2 C 18.62 . 1 388 . 35 ILE CD1 C 21.28 . 1 389 . 35 ILE N N 123.41 . 1 390 . 36 SER H H 8.85 . 1 391 . 36 SER HA H 5.03 . 1 392 . 36 SER HB2 H 3.75 . 2 393 . 36 SER HB3 H 3.50 . 2 394 . 36 SER C C 171.9 . 1 395 . 36 SER CA C 58.06 . 1 396 . 36 SER CB C 67.58 . 1 397 . 36 SER N N 121.99 . 1 398 . 37 TRP H H 9.07 . 1 399 . 37 TRP HA H 5.70 . 1 400 . 37 TRP HB2 H 2.79 . 2 401 . 37 TRP HB3 H 3.01 . 2 402 . 37 TRP HD1 H 6.92 . 1 403 . 37 TRP HE1 H 9.03 . 1 404 . 37 TRP HE3 H 7.35 . 1 405 . 37 TRP HZ2 H 7.31 . 1 406 . 37 TRP HZ3 H 6.55 . 1 407 . 37 TRP HH2 H 6.70 . 1 408 . 37 TRP C C 176.5 . 1 409 . 37 TRP CA C 55.50 . 1 410 . 37 TRP CB C 33.68 . 1 411 . 37 TRP N N 120.63 . 1 412 . 37 TRP NE1 N 124.08 . 1 413 . 38 PHE H H 9.70 . 1 414 . 38 PHE HA H 5.32 . 1 415 . 38 PHE HB2 H 2.76 . 1 416 . 38 PHE HB3 H 2.76 . 1 417 . 38 PHE HD1 H 6.97 . 1 418 . 38 PHE HD2 H 6.97 . 1 419 . 38 PHE HE1 H 7.21 . 1 420 . 38 PHE HE2 H 7.21 . 1 421 . 38 PHE HZ H 7.28 . 1 422 . 38 PHE C C 176.5 . 1 423 . 38 PHE CA C 55.84 . 1 424 . 38 PHE CB C 43.02 . 1 425 . 38 PHE N N 116.07 . 1 426 . 39 SER H H 8.96 . 1 427 . 39 SER HA H 4.40 . 1 428 . 39 SER HB2 H 3.73 . 2 429 . 39 SER HB3 H 4.29 . 2 430 . 39 SER CA C 55.81 . 1 431 . 39 SER CB C 62.44 . 1 432 . 39 SER N N 114.40 . 1 433 . 40 PRO HA H 4.45 . 1 434 . 40 PRO HB2 H 1.43 . 2 435 . 40 PRO HB3 H 1.70 . 2 436 . 40 PRO HG2 H 2.33 . 1 437 . 40 PRO HG3 H 2.33 . 1 438 . 40 PRO HD2 H 3.17 . 1 439 . 40 PRO HD3 H 3.17 . 1 440 . 40 PRO C C 178.5 . 1 441 . 40 PRO CA C 64.80 . 1 442 . 41 ASN H H 7.66 . 1 443 . 41 ASN HA H 4.67 . 1 444 . 41 ASN HB2 H 2.84 . 2 445 . 41 ASN HB3 H 2.87 . 2 446 . 41 ASN HD21 H 6.92 . 2 447 . 41 ASN HD22 H 7.52 . 2 448 . 41 ASN C C 177.0 . 1 449 . 41 ASN CA C 52.20 . 1 450 . 41 ASN CB C 37.42 . 1 451 . 41 ASN N N 110.40 . 1 452 . 41 ASN ND2 N 109.65 . 1 453 . 42 GLY H H 8.47 . 1 454 . 42 GLY HA2 H 3.62 . 2 455 . 42 GLY HA3 H 4.23 . 2 456 . 42 GLY C C 175.0 . 1 457 . 42 GLY CA C 45.09 . 1 458 . 42 GLY N N 106.45 . 1 459 . 43 GLU H H 7.62 . 1 460 . 43 GLU HA H 4.35 . 1 461 . 43 GLU HB2 H 1.94 . 1 462 . 43 GLU HB3 H 1.94 . 1 463 . 43 GLU HG2 H 2.12 . 2 464 . 43 GLU HG3 H 2.18 . 2 465 . 43 GLU C C 176.3 . 1 466 . 43 GLU CA C 55.43 . 1 467 . 43 GLU CB C 30.77 . 1 468 . 43 GLU CG C 36.65 . 1 469 . 43 GLU N N 118.44 . 1 470 . 44 LYS H H 8.67 . 1 471 . 44 LYS HA H 3.75 . 1 472 . 44 LYS HB2 H 1.48 . 2 473 . 44 LYS HB3 H 1.64 . 2 474 . 44 LYS HG2 H 0.74 . 2 475 . 44 LYS HG3 H 1.17 . 2 476 . 44 LYS HD2 H 1.59 . 1 477 . 44 LYS HD3 H 1.59 . 1 478 . 44 LYS HE2 H 2.92 . 2 479 . 44 LYS HE3 H 3.00 . 2 480 . 44 LYS C C 178.0 . 1 481 . 44 LYS CA C 56.23 . 1 482 . 44 LYS CB C 32.48 . 1 483 . 44 LYS CG C 25.26 . 1 484 . 44 LYS CD C 29.47 . 1 485 . 44 LYS CE C 42.17 . 1 486 . 44 LYS N N 123.40 . 1 487 . 45 LEU H H 8.67 . 1 488 . 45 LEU HA H 4.39 . 1 489 . 45 LEU HB2 H 1.58 . 2 490 . 45 LEU HB3 H 1.83 . 2 491 . 45 LEU HG H 1.24 . 1 492 . 45 LEU HD1 H 0.75 . 1 493 . 45 LEU HD2 H 0.86 . 1 494 . 45 LEU C C 177.1 . 1 495 . 45 LEU CA C 54.20 . 1 496 . 45 LEU CB C 42.29 . 1 497 . 45 LEU CG C 20.53 . 1 498 . 45 LEU CD1 C 26.56 . 2 499 . 45 LEU CD2 C 23.64 . 2 500 . 45 LEU N N 128.34 . 1 501 . 46 SER H H 8.52 . 1 502 . 46 SER HA H 4.89 . 1 503 . 46 SER HB2 H 3.86 . 2 504 . 46 SER HB3 H 3.92 . 2 505 . 46 SER CA C 56.41 . 1 506 . 46 SER CB C 63.99 . 1 507 . 46 SER N N 116.82 . 1 508 . 47 PRO HA H 4.92 . 1 509 . 47 PRO HB2 H 2.12 . 2 510 . 47 PRO HB3 H 2.43 . 2 511 . 47 PRO HG2 H 2.06 . 1 512 . 47 PRO HG3 H 2.06 . 1 513 . 47 PRO HD2 H 3.80 . 2 514 . 47 PRO HD3 H 3.84 . 2 515 . 47 PRO C C 177.4 . 1 516 . 47 PRO CA C 63.22 . 1 517 . 47 PRO CB C 32.21 . 1 518 . 47 PRO CG C 27.81 . 1 519 . 47 PRO CD C 51.10 . 1 520 . 48 ASN H H 8.64 . 1 521 . 48 ASN HA H 4.67 . 1 522 . 48 ASN HB2 H 2.84 . 2 523 . 48 ASN HB3 H 2.87 . 2 524 . 48 ASN HD21 H 6.98 . 2 525 . 48 ASN HD22 H 7.65 . 2 526 . 48 ASN C C 175.5 . 1 527 . 48 ASN CA C 53.36 . 1 528 . 48 ASN CB C 38.43 . 1 529 . 48 ASN N N 113.45 . 1 530 . 48 ASN ND2 N 110.85 . 1 531 . 49 GLN H H 8.44 . 1 532 . 49 GLN HA H 4.43 . 1 533 . 49 GLN HB2 H 2.16 . 2 534 . 49 GLN HB3 H 2.29 . 2 535 . 49 GLN HG2 H 2.29 . 2 536 . 49 GLN HG3 H 2.37 . 2 537 . 49 GLN HE21 H 6.97 . 2 538 . 49 GLN HE22 H 7.48 . 2 539 . 49 GLN C C 176.7 . 1 540 . 49 GLN CA C 54.85 . 1 541 . 49 GLN CB C 29.28 . 1 542 . 49 GLN CG C 33.43 . 1 543 . 49 GLN N N 115.55 . 1 544 . 49 GLN NE2 N 111.19 . 1 545 . 50 GLN H H 8.28 . 1 546 . 50 GLN HA H 4.10 . 1 547 . 50 GLN HB2 H 2.35 . 2 548 . 50 GLN HB3 H 2.09 . 2 549 . 50 GLN HG2 H 1.98 . 2 550 . 50 GLN HG3 H 2.28 . 2 551 . 50 GLN HE21 H 6.83 . 2 552 . 50 GLN HE22 H 7.49 . 2 553 . 50 GLN C C 177.1 . 1 554 . 50 GLN CA C 57.06 . 1 555 . 50 GLN CB C 29.49 . 1 556 . 50 GLN CG C 34.25 . 1 557 . 50 GLN N N 117.11 . 1 558 . 50 GLN NE2 N 119.73 . 1 559 . 51 ARG H H 8.23 . 1 560 . 51 ARG HA H 3.96 . 1 561 . 51 ARG HB2 H 1.75 . 2 562 . 51 ARG HB3 H 2.11 . 2 563 . 51 ARG HG2 H 1.49 . 2 564 . 51 ARG HG3 H 1.75 . 2 565 . 51 ARG HD2 H 3.11 . 2 566 . 51 ARG HD3 H 3.37 . 2 567 . 51 ARG HE H 7.42 . 1 568 . 51 ARG C C 175.5 . 1 569 . 51 ARG CA C 59.32 . 1 570 . 51 ARG CB C 31.05 . 1 571 . 51 ARG CG C 29.83 . 1 572 . 51 ARG CD C 42.50 . 1 573 . 51 ARG N N 117.31 . 1 574 . 51 ARG NE N 79.19 . 1 575 . 52 ILE H H 7.33 . 1 576 . 52 ILE HA H 4.84 . 1 577 . 52 ILE HB H 1.78 . 1 578 . 52 ILE HG12 H 1.15 . 2 579 . 52 ILE HG13 H 1.50 . 2 580 . 52 ILE HG2 H 0.70 . 1 581 . 52 ILE HD1 H 0.86 . 1 582 . 52 ILE C C 176.7 . 1 583 . 52 ILE CA C 59.16 . 1 584 . 52 ILE CB C 37.81 . 1 585 . 52 ILE CG1 C 27.31 . 1 586 . 52 ILE CG2 C 18.40 . 1 587 . 52 ILE CD1 C 13.00 . 1 588 . 52 ILE N N 114.84 . 1 589 . 53 SER H H 8.59 . 1 590 . 53 SER HA H 4.76 . 1 591 . 53 SER HB2 H 3.78 . 2 592 . 53 SER HB3 H 3.91 . 2 593 . 53 SER C C 173.9 . 1 594 . 53 SER CA C 56.15 . 1 595 . 53 SER CB C 64.51 . 1 596 . 53 SER N N 118.45 . 1 597 . 54 VAL H H 8.06 . 1 598 . 54 VAL HA H 4.75 . 1 599 . 54 VAL HB H 1.52 . 1 600 . 54 VAL HG1 H 0.40 . 1 601 . 54 VAL HG2 H 0.50 . 1 602 . 54 VAL C C 175.9 . 1 603 . 54 VAL CA C 60.12 . 1 604 . 54 VAL CB C 34.65 . 1 605 . 54 VAL CG1 C 22.77 . 2 606 . 54 VAL CG2 C 21.21 . 2 607 . 54 VAL N N 120.76 . 1 608 . 55 VAL H H 8.38 . 1 609 . 55 VAL HA H 4.50 . 1 610 . 55 VAL HB H 1.87 . 1 611 . 55 VAL HG1 H 0.80 . 1 612 . 55 VAL HG2 H 0.84 . 1 613 . 55 VAL C C 175.6 . 1 614 . 55 VAL CA C 60.13 . 1 615 . 55 VAL CB C 36.05 . 1 616 . 55 VAL CG1 C 21.46 . 1 617 . 55 VAL CG2 C 21.46 . 1 618 . 55 VAL N N 120.82 . 1 619 . 56 TRP H H 9.10 . 1 620 . 56 TRP HA H 4.86 . 1 621 . 56 TRP HB2 H 3.27 . 2 622 . 56 TRP HB3 H 3.53 . 2 623 . 56 TRP HD1 H 7.41 . 1 624 . 56 TRP HE1 H 10.34 . 1 625 . 56 TRP HE3 H 7.70 . 1 626 . 56 TRP HZ2 H 7.65 . 1 627 . 56 TRP HZ3 H 7.02 . 1 628 . 56 TRP HH2 H 7.16 . 1 629 . 56 TRP C C 176.2 . 1 630 . 56 TRP CA C 58.13 . 1 631 . 56 TRP CB C 29.96 . 1 632 . 56 TRP N N 127.10 . 1 633 . 56 TRP NE1 N 127.66 . 1 634 . 57 ASN H H 8.39 . 1 635 . 57 ASN HA H 4.70 . 1 636 . 57 ASN HB2 H 2.68 . 1 637 . 57 ASN HB3 H 2.68 . 1 638 . 57 ASN HD21 H 6.93 . 2 639 . 57 ASN HD22 H 7.39 . 2 640 . 57 ASN C C 176.2 . 1 641 . 57 ASN CA C 53.80 . 1 642 . 57 ASN CB C 39.65 . 1 643 . 57 ASN N N 121.40 . 1 644 . 58 ASP H H 8.19 . 1 645 . 58 ASP HA H 4.14 . 1 646 . 58 ASP HB2 H 2.83 . 1 647 . 58 ASP HB3 H 2.83 . 1 648 . 58 ASP C C 176.0 . 1 649 . 58 ASP CA C 54.06 . 1 650 . 58 ASP CB C 40.08 . 1 651 . 58 ASP N N 115.29 . 1 652 . 59 ASP H H 8.11 . 1 653 . 59 ASP HA H 4.58 . 1 654 . 59 ASP HB2 H 2.74 . 2 655 . 59 ASP HB3 H 2.70 . 2 656 . 59 ASP C C 177.1 . 1 657 . 59 ASP CA C 54.55 . 1 658 . 59 ASP CB C 41.75 . 1 659 . 59 ASP N N 114.73 . 1 660 . 60 ASP H H 8.23 . 1 661 . 60 ASP HA H 4.63 . 1 662 . 60 ASP HB2 H 2.72 . 2 663 . 60 ASP HB3 H 3.14 . 2 664 . 60 ASP C C 174.6 . 1 665 . 60 ASP CA C 54.16 . 1 666 . 60 ASP CB C 41.20 . 1 667 . 60 ASP N N 112.75 . 1 668 . 61 SER H H 7.52 . 1 669 . 61 SER HA H 5.37 . 1 670 . 61 SER HB2 H 3.86 . 2 671 . 61 SER HB3 H 3.93 . 2 672 . 61 SER C C 174.0 . 1 673 . 61 SER CA C 57.56 . 1 674 . 61 SER CB C 65.99 . 1 675 . 61 SER N N 109.61 . 1 676 . 62 SER H H 8.70 . 1 677 . 62 SER HA H 5.25 . 1 678 . 62 SER HB2 H 3.42 . 2 679 . 62 SER HB3 H 3.67 . 2 680 . 62 SER C C 175.1 . 1 681 . 62 SER CA C 56.35 . 1 682 . 62 SER CB C 65.36 . 1 683 . 62 SER N N 111.07 . 1 684 . 63 THR H H 8.99 . 1 685 . 63 THR HA H 5.31 . 1 686 . 63 THR HB H 3.82 . 1 687 . 63 THR HG2 H 0.91 . 1 688 . 63 THR C C 173.9 . 1 689 . 63 THR CA C 61.78 . 1 690 . 63 THR N N 124.70 . 1 691 . 64 LEU H H 9.01 . 1 692 . 64 LEU HA H 4.45 . 1 693 . 64 LEU HB2 H -1.07 . 2 694 . 64 LEU HB3 H 0.59 . 2 695 . 64 LEU HG H 0.66 . 1 696 . 64 LEU HD1 H -.36 . 1 697 . 64 LEU HD2 H 0.06 . 1 698 . 64 LEU C C 175.8 . 1 699 . 64 LEU CA C 52.98 . 1 700 . 64 LEU CB C 42.63 . 1 701 . 64 LEU CG C 27.21 . 1 702 . 64 LEU CD1 C 25.85 . 2 703 . 64 LEU CD2 C 24.62 . 2 704 . 64 LEU N N 130.63 . 1 705 . 65 THR H H 9.14 . 1 706 . 65 THR HA H 4.59 . 1 707 . 65 THR HB H 3.54 . 1 708 . 65 THR HG2 H 0.30 . 1 709 . 65 THR C C 173.2 . 1 710 . 65 THR CA C 60.94 . 1 711 . 65 THR N N 120.97 . 1 712 . 66 ILE H H 8.06 . 1 713 . 66 ILE HA H 4.25 . 1 714 . 66 ILE HB H 1.52 . 1 715 . 66 ILE HG12 H 0.72 . 2 716 . 66 ILE HG13 H 1.23 . 2 717 . 66 ILE HG2 H 0.60 . 1 718 . 66 ILE HD1 H 0.36 . 1 719 . 66 ILE C C 175.2 . 1 720 . 66 ILE CA C 60.25 . 1 721 . 66 ILE CB C 39.74 . 1 722 . 66 ILE CG1 C 27.71 . 1 723 . 66 ILE CG2 C 16.71 . 1 724 . 66 ILE CD1 C 14.17 . 1 725 . 66 ILE N N 123.50 . 1 726 . 67 TYR H H 8.37 . 1 727 . 67 TYR HA H 4.61 . 1 728 . 67 TYR HB2 H 2.91 . 2 729 . 67 TYR HB3 H 2.81 . 2 730 . 67 TYR HD1 H 7.12 . 1 731 . 67 TYR HD2 H 7.12 . 1 732 . 67 TYR HE1 H 6.67 . 1 733 . 67 TYR HE2 H 6.67 . 1 734 . 67 TYR C C 175.5 . 1 735 . 67 TYR CA C 56.36 . 1 736 . 67 TYR CB C 39.54 . 1 737 . 67 TYR N N 122.42 . 1 738 . 68 ASN H H 8.14 . 1 739 . 68 ASN HA H 3.85 . 1 740 . 68 ASN HB2 H 2.37 . 2 741 . 68 ASN HB3 H 2.85 . 2 742 . 68 ASN HD21 H 6.72 . 2 743 . 68 ASN HD22 H 7.31 . 2 744 . 68 ASN C C 175.5 . 1 745 . 68 ASN CA C 52.44 . 1 746 . 68 ASN CB C 36.89 . 1 747 . 68 ASN N N 114.92 . 1 748 . 68 ASN ND2 N 108.26 . 1 749 . 69 ALA H H 8.31 . 1 750 . 69 ALA HA H 3.86 . 1 751 . 69 ALA HB H 1.16 . 1 752 . 69 ALA C C 178.8 . 1 753 . 69 ALA CA C 53.24 . 1 754 . 69 ALA CB C 19.89 . 1 755 . 69 ALA N N 115.32 . 1 756 . 70 ASN H H 9.41 . 1 757 . 70 ASN HA H 4.94 . 1 758 . 70 ASN HB2 H 2.69 . 2 759 . 70 ASN HB3 H 2.82 . 2 760 . 70 ASN HD21 H 6.56 . 2 761 . 70 ASN HD22 H 7.77 . 2 762 . 70 ASN C C 176.5 . 1 763 . 70 ASN CA C 51.00 . 1 764 . 70 ASN CB C 41.66 . 1 765 . 70 ASN N N 119.32 . 1 766 . 70 ASN ND2 N 111.16 . 1 767 . 71 ILE H H 8.71 . 1 768 . 71 ILE HA H 3.71 . 1 769 . 71 ILE HB H 1.81 . 1 770 . 71 ILE HG12 H 1.39 . 2 771 . 71 ILE HG13 H 1.24 . 2 772 . 71 ILE HG2 H 0.88 . 1 773 . 71 ILE HD1 H 0.80 . 1 774 . 71 ILE C C 177.9 . 1 775 . 71 ILE CA C 63.75 . 1 776 . 71 ILE CB C 38.39 . 1 777 . 71 ILE CG1 C 27.59 . 1 778 . 71 ILE CG2 C 18.25 . 1 779 . 71 ILE CD1 C 13.82 . 1 780 . 71 ILE N N 117.27 . 1 781 . 72 ASP H H 8.48 . 1 782 . 72 ASP HA H 4.61 . 1 783 . 72 ASP HB2 H 2.59 . 2 784 . 72 ASP HB3 H 2.76 . 2 785 . 72 ASP C C 177.3 . 1 786 . 72 ASP CA C 55.37 . 1 787 . 72 ASP CB C 39.82 . 1 788 . 72 ASP N N 117.71 . 1 789 . 73 ASP H H 8.11 . 1 790 . 73 ASP HA H 4.58 . 1 791 . 73 ASP HB2 H 2.63 . 2 792 . 73 ASP HB3 H 2.80 . 2 793 . 73 ASP C C 177.2 . 1 794 . 73 ASP CA C 54.59 . 1 795 . 73 ASP CB C 41.85 . 1 796 . 73 ASP N N 116.42 . 1 797 . 74 ALA H H 7.00 . 1 798 . 74 ALA HA H 4.03 . 1 799 . 74 ALA HB H 1.55 . 1 800 . 74 ALA C C 177.3 . 1 801 . 74 ALA CA C 52.77 . 1 802 . 74 ALA CB C 21.03 . 1 803 . 74 ALA N N 118.96 . 1 804 . 75 GLY H H 8.90 . 1 805 . 75 GLY HA2 H 3.75 . 2 806 . 75 GLY HA3 H 4.41 . 2 807 . 75 GLY C C 172.5 . 1 808 . 75 GLY CA C 43.60 . 1 809 . 75 GLY N N 105.89 . 1 810 . 76 ILE H H 8.32 . 1 811 . 76 ILE HA H 4.78 . 1 812 . 76 ILE HB H 1.68 . 1 813 . 76 ILE HG12 H 0.92 . 2 814 . 76 ILE HG13 H 1.56 . 2 815 . 76 ILE HG2 H 0.73 . 1 816 . 76 ILE HD1 H 0.79 . 1 817 . 76 ILE C C 177.2 . 1 818 . 76 ILE CA C 60.54 . 1 819 . 76 ILE CB C 37.89 . 1 820 . 76 ILE CG1 C 28.07 . 1 821 . 76 ILE CG2 C 18.65 . 1 822 . 76 ILE CD1 C 13.31 . 1 823 . 76 ILE N N 117.48 . 1 824 . 77 TYR H H 8.95 . 1 825 . 77 TYR HA H 4.69 . 1 826 . 77 TYR HB2 H 2.81 . 2 827 . 77 TYR HB3 H 2.84 . 2 828 . 77 TYR HD1 H 7.00 . 1 829 . 77 TYR HD2 H 7.00 . 1 830 . 77 TYR HE1 H 6.58 . 1 831 . 77 TYR HE2 H 6.58 . 1 832 . 77 TYR C C 176.1 . 1 833 . 77 TYR CA C 56.84 . 1 834 . 77 TYR CB C 39.79 . 1 835 . 77 TYR N N 127.56 . 1 836 . 78 LYS H H 8.57 . 1 837 . 78 LYS HA H 5.18 . 1 838 . 78 LYS HB2 H 1.55 . 1 839 . 78 LYS HB3 H 1.55 . 1 840 . 78 LYS HG2 H 1.12 . 2 841 . 78 LYS HG3 H 1.27 . 2 842 . 78 LYS HD2 H 1.29 . 2 843 . 78 LYS HD3 H 1.25 . 2 844 . 78 LYS HE2 H 2.45 . 1 845 . 78 LYS HE3 H 2.45 . 1 846 . 78 LYS C C 174.5 . 1 847 . 78 LYS CA C 54.24 . 1 848 . 78 LYS CB C 37.11 . 1 849 . 78 LYS CG C 25.07 . 1 850 . 78 LYS CD C 29.15 . 1 851 . 78 LYS CE C 40.89 . 1 852 . 78 LYS N N 116.74 . 1 853 . 79 CYS H H 8.76 . 1 854 . 79 CYS HA H 4.50 . 1 855 . 79 CYS HB2 H 1.36 . 2 856 . 79 CYS HB3 H 2.01 . 2 857 . 79 CYS C C 173.4 . 1 858 . 79 CYS CA C 52.27 . 1 859 . 79 CYS CB C 43.63 . 1 860 . 79 CYS N N 122.82 . 1 861 . 80 VAL H H 9.25 . 1 862 . 80 VAL HA H 4.52 . 1 863 . 80 VAL HB H 1.94 . 1 864 . 80 VAL HG1 H 0.73 . 1 865 . 80 VAL HG2 H 0.73 . 1 866 . 80 VAL C C 176.5 . 1 867 . 80 VAL CA C 60.81 . 1 868 . 80 VAL CB C 34.99 . 1 869 . 80 VAL CG1 C 21.14 . 2 870 . 80 VAL CG2 C 22.56 . 2 871 . 80 VAL N N 124.19 . 1 872 . 81 VAL H H 9.21 . 1 873 . 81 VAL HA H 5.16 . 1 874 . 81 VAL HB H 1.70 . 1 875 . 81 VAL HG1 H 0.74 . 1 876 . 81 VAL HG2 H 0.74 . 1 877 . 81 VAL C C 175.1 . 1 878 . 81 VAL CA C 58.93 . 1 879 . 81 VAL CB C 33.80 . 1 880 . 81 VAL CG1 C 22.96 . 1 881 . 81 VAL CG2 C 21.74 . 1 882 . 81 VAL N N 128.30 . 1 883 . 82 THR H H 8.92 . 1 884 . 82 THR HA H 4.94 . 1 885 . 82 THR HB H 3.94 . 1 886 . 82 THR HG2 H 1.22 . 1 887 . 82 THR C C 175.6 . 1 888 . 82 THR CA C 60.96 . 1 889 . 82 THR N N 121.14 . 1 890 . 83 ALA H H 8.99 . 1 891 . 83 ALA HA H 4.76 . 1 892 . 83 ALA HB H 1.51 . 1 893 . 83 ALA C C 179.5 . 1 894 . 83 ALA CA C 50.70 . 1 895 . 83 ALA CB C 21.63 . 1 896 . 83 ALA N N 127.37 . 1 897 . 84 GLU H H 9.15 . 1 898 . 84 GLU HA H 4.09 . 1 899 . 84 GLU HB2 H 2.10 . 2 900 . 84 GLU HB3 H 2.16 . 2 901 . 84 GLU HG2 H 2.23 . 2 902 . 84 GLU HG3 H 2.36 . 2 903 . 84 GLU C C 177.1 . 1 904 . 84 GLU CA C 58.62 . 1 905 . 84 GLU CB C 29.11 . 1 906 . 84 GLU CG C 35.65 . 1 907 . 84 GLU N N 119.25 . 1 908 . 85 ASP H H 7.67 . 1 909 . 85 ASP HA H 4.53 . 1 910 . 85 ASP HB2 H 3.07 . 2 911 . 85 ASP HB3 H 2.60 . 2 912 . 85 ASP C C 177.8 . 1 913 . 85 ASP CA C 52.59 . 1 914 . 85 ASP CB C 40.05 . 1 915 . 85 ASP N N 114.12 . 1 916 . 86 GLY H H 8.15 . 1 917 . 86 GLY HA2 H 3.49 . 2 918 . 86 GLY HA3 H 4.28 . 2 919 . 86 GLY C C 175.6 . 1 920 . 86 GLY CA C 44.67 . 1 921 . 86 GLY N N 106.19 . 1 922 . 87 THR H H 7.93 . 1 923 . 87 THR HA H 4.03 . 1 924 . 87 THR HG2 H 1.15 . 1 925 . 87 THR C C 174.4 . 1 926 . 87 THR CA C 63.66 . 1 927 . 87 THR N N 114.34 . 1 928 . 88 GLN H H 8.61 . 1 929 . 88 GLN HA H 5.66 . 1 930 . 88 GLN HB2 H 2.32 . 2 931 . 88 GLN HB3 H 1.76 . 2 932 . 88 GLN HG2 H 1.84 . 2 933 . 88 GLN HG3 H 2.24 . 2 934 . 88 GLN HE21 H 6.69 . 2 935 . 88 GLN HE22 H 7.53 . 2 936 . 88 GLN C C 176.8 . 1 937 . 88 GLN CA C 54.08 . 1 938 . 88 GLN CB C 33.50 . 1 939 . 88 GLN CG C 34.50 . 1 940 . 88 GLN N N 120.77 . 1 941 . 88 GLN NE2 N 110.92 . 1 942 . 89 SER H H 8.75 . 1 943 . 89 SER HA H 4.71 . 1 944 . 89 SER HB2 H 3.50 . 2 945 . 89 SER HB3 H 3.64 . 2 946 . 89 SER C C 172.5 . 1 947 . 89 SER CA C 57.06 . 1 948 . 89 SER CB C 65.51 . 1 949 . 89 SER N N 115.86 . 1 950 . 90 GLU H H 8.53 . 1 951 . 90 GLU HA H 5.61 . 1 952 . 90 GLU HB2 H 1.74 . 2 953 . 90 GLU HB3 H 1.92 . 2 954 . 90 GLU HG2 H 1.83 . 2 955 . 90 GLU HG3 H 2.05 . 2 956 . 90 GLU C C 175.2 . 1 957 . 90 GLU CA C 53.64 . 1 958 . 90 GLU CB C 34.79 . 1 959 . 90 GLU CG C 34.86 . 1 960 . 90 GLU N N 117.81 . 1 961 . 91 ALA H H 8.82 . 1 962 . 91 ALA HA H 4.76 . 1 963 . 91 ALA HB H 1.28 . 1 964 . 91 ALA C C 176.1 . 1 965 . 91 ALA CA C 50.72 . 1 966 . 91 ALA CB C 20.75 . 1 967 . 91 ALA N N 121.05 . 1 968 . 92 THR H H 8.31 . 1 969 . 92 THR HA H 5.29 . 1 970 . 92 THR HB H 4.07 . 1 971 . 92 THR HG2 H 0.96 . 1 972 . 92 THR C C 174.2 . 1 973 . 92 THR CA C 58.84 . 1 974 . 92 THR N N 106.63 . 1 975 . 93 VAL H H 8.80 . 1 976 . 93 VAL HA H 4.60 . 1 977 . 93 VAL HB H 1.84 . 1 978 . 93 VAL HG1 H 0.64 . 1 979 . 93 VAL HG2 H 0.47 . 1 980 . 93 VAL C C 172.5 . 1 981 . 93 VAL CA C 58.92 . 1 982 . 93 VAL CB C 34.40 . 1 983 . 93 VAL CG1 C 21.24 . 2 984 . 93 VAL CG2 C 19.14 . 2 985 . 93 VAL N N 115.91 . 1 986 . 94 ASN H H 8.43 . 1 987 . 94 ASN HA H 4.80 . 1 988 . 94 ASN HB2 H 2.58 . 2 989 . 94 ASN HB3 H 2.95 . 2 990 . 94 ASN HD21 H 6.69 . 2 991 . 94 ASN HD22 H 7.46 . 2 992 . 94 ASN C C 174.9 . 1 993 . 94 ASN CA C 52.05 . 1 994 . 94 ASN CB C 38.55 . 1 995 . 94 ASN N N 125.06 . 1 996 . 94 ASN ND2 N 107.61 . 1 997 . 95 VAL H H 8.88 . 1 998 . 95 VAL HA H 4.21 . 1 999 . 95 VAL HB H 2.39 . 1 1000 . 95 VAL HG1 H 0.60 . 1 1001 . 95 VAL HG2 H 0.28 . 1 1002 . 95 VAL C C 176.2 . 1 1003 . 95 VAL CA C 62.36 . 1 1004 . 95 VAL CB C 32.38 . 1 1005 . 95 VAL CG1 C 22.82 . 2 1006 . 95 VAL CG2 C 21.71 . 2 1007 . 95 VAL N N 126.75 . 1 1008 . 96 LYS H H 8.45 . 1 1009 . 96 LYS HA H 4.51 . 1 1010 . 96 LYS HB2 H 1.64 . 1 1011 . 96 LYS HB3 H 1.64 . 1 1012 . 96 LYS HG2 H 1.24 . 2 1013 . 96 LYS HG3 H 1.38 . 2 1014 . 96 LYS HD2 H 1.65 . 1 1015 . 96 LYS HD3 H 1.65 . 1 1016 . 96 LYS HE2 H 2.88 . 1 1017 . 96 LYS HE3 H 2.88 . 1 1018 . 96 LYS C C 174.9 . 1 1019 . 96 LYS CA C 54.66 . 1 1020 . 96 LYS CB C 35.17 . 1 1021 . 96 LYS CG C 25.11 . 1 1022 . 96 LYS CD C 29.65 . 1 1023 . 96 LYS CE C 41.59 . 1 1024 . 96 LYS N N 128.30 . 1 1025 . 97 ILE H H 7.87 . 1 1026 . 97 ILE HA H 5.22 . 1 1027 . 97 ILE HB H 1.71 . 1 1028 . 97 ILE HG12 H 1.09 . 2 1029 . 97 ILE HG13 H 1.45 . 2 1030 . 97 ILE HG2 H 0.51 . 1 1031 . 97 ILE HD1 H 0.52 . 1 1032 . 97 ILE C C 176.2 . 1 1033 . 97 ILE CA C 57.15 . 1 1034 . 97 ILE CB C 38.14 . 1 1035 . 97 ILE CG1 C 26.95 . 1 1036 . 97 ILE CG2 C 17.30 . 1 1037 . 97 ILE CD1 C 18.01 . 1 1038 . 97 ILE N N 120.30 . 1 1039 . 98 PHE H H 8.52 . 1 1040 . 98 PHE HA H 4.80 . 1 1041 . 98 PHE HB2 H 2.87 . 2 1042 . 98 PHE HB3 H 3.06 . 2 1043 . 98 PHE HD1 H 7.11 . 1 1044 . 98 PHE HD2 H 7.11 . 1 1045 . 98 PHE HE1 H 7.15 . 1 1046 . 98 PHE HE2 H 7.15 . 1 1047 . 98 PHE HZ H 7.17 . 1 1048 . 98 PHE C C 174.6 . 1 1049 . 98 PHE CA C 55.85 . 1 1050 . 98 PHE CB C 41.16 . 1 1051 . 98 PHE N N 124.65 . 1 1052 . 99 GLN H H 8.19 . 1 1053 . 99 GLN HA H 4.15 . 1 1054 . 99 GLN HB2 H 1.92 . 2 1055 . 99 GLN HB3 H 2.00 . 2 1056 . 99 GLN HG2 H 2.26 . 1 1057 . 99 GLN HG3 H 2.26 . 1 1058 . 99 GLN HE21 H 6.82 . 2 1059 . 99 GLN HE22 H 7.60 . 2 1060 . 99 GLN CA C 57.17 . 1 1061 . 99 GLN CB C 30.76 . 1 1062 . 99 GLN CG C 34.49 . 1 1063 . 99 GLN N N 123.82 . 1 1064 . 99 GLN NE2 N 109.74 . 1 stop_ save_