data_15662 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N resonance assignments of murine amelogenin, an essential enamel biomineralization protein. ; _BMRB_accession_number 15662 _BMRB_flat_file_name bmr15662.str _Entry_type original _Submission_date 2008-02-18 _Accession_date 2008-02-18 _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 Buchko Garry W. . 2 Bekhazi Jacky . . 3 Cort John R. . 4 Valentine Nancy B. . 5 Shaw Wendy J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 597 "13C chemical shifts" 641 "15N chemical shifts" 142 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-13 update BMRB 'added PubMed ID' 2008-06-05 update BMRB 'complete entry citation' 2008-02-22 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C, and 15N resonance assignments of murine amelogenin, an essential enamel biomineralization protein' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19081741 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Buchko Garry W. . 2 Bekhazi Jacky . . 3 Cort John R. . 4 Valentine Nancy B. . 5 Snead Malcolm L. . 6 Shaw Wendy J. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 2 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 89 _Page_last 91 _Year 2008 _Details . loop_ _Keyword amelogenesis biomineralization enamel 'polyproline type II structure' 'unfolded protein' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name amelogenin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label amelogenin $amelogenin stop_ _System_molecular_weight 21560 _System_physical_state unfolded _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_amelogenin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common amelogenin _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function amelogenesis 'enamel formation' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 191 _Mol_residue_sequence ; MRGSHHHHHHGSPLPPHPGS PGYINLSYEVLTPLKWYQSM IRQPYPSYGYEPMGGWLHHQ IIPVLSQQHPPSHTLQPHHH LPVVPAQQPVAPQQPMMPVP GHHSMTPTQHHQPNIPPSAQ QPFQQPFQPQAIPPQSHQPM QPQSPLHPMQPLAPQPPLPP LFSMQPLSPILPELPLEAWP ATDKTKREEVD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 GLY 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 GLY 12 SER 13 PRO 14 LEU 15 PRO 16 PRO 17 HIS 18 PRO 19 GLY 20 SER 21 PRO 22 GLY 23 TYR 24 ILE 25 ASN 26 LEU 27 SER 28 TYR 29 GLU 30 VAL 31 LEU 32 THR 33 PRO 34 LEU 35 LYS 36 TRP 37 TYR 38 GLN 39 SER 40 MET 41 ILE 42 ARG 43 GLN 44 PRO 45 TYR 46 PRO 47 SER 48 TYR 49 GLY 50 TYR 51 GLU 52 PRO 53 MET 54 GLY 55 GLY 56 TRP 57 LEU 58 HIS 59 HIS 60 GLN 61 ILE 62 ILE 63 PRO 64 VAL 65 LEU 66 SER 67 GLN 68 GLN 69 HIS 70 PRO 71 PRO 72 SER 73 HIS 74 THR 75 LEU 76 GLN 77 PRO 78 HIS 79 HIS 80 HIS 81 LEU 82 PRO 83 VAL 84 VAL 85 PRO 86 ALA 87 GLN 88 GLN 89 PRO 90 VAL 91 ALA 92 PRO 93 GLN 94 GLN 95 PRO 96 MET 97 MET 98 PRO 99 VAL 100 PRO 101 GLY 102 HIS 103 HIS 104 SER 105 MET 106 THR 107 PRO 108 THR 109 GLN 110 HIS 111 HIS 112 GLN 113 PRO 114 ASN 115 ILE 116 PRO 117 PRO 118 SER 119 ALA 120 GLN 121 GLN 122 PRO 123 PHE 124 GLN 125 GLN 126 PRO 127 PHE 128 GLN 129 PRO 130 GLN 131 ALA 132 ILE 133 PRO 134 PRO 135 GLN 136 SER 137 HIS 138 GLN 139 PRO 140 MET 141 GLN 142 PRO 143 GLN 144 SER 145 PRO 146 LEU 147 HIS 148 PRO 149 MET 150 GLN 151 PRO 152 LEU 153 ALA 154 PRO 155 GLN 156 PRO 157 PRO 158 LEU 159 PRO 160 PRO 161 LEU 162 PHE 163 SER 164 MET 165 GLN 166 PRO 167 LEU 168 SER 169 PRO 170 ILE 171 LEU 172 PRO 173 GLU 174 LEU 175 PRO 176 LEU 177 GLU 178 ALA 179 TRP 180 PRO 181 ALA 182 THR 183 ASP 184 LYS 185 THR 186 LYS 187 ARG 188 GLU 189 GLU 190 VAL 191 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 DBJ BAA06546 "amelogenin precursor [Mus musculus]" 94.76 196 98.90 98.90 8.94e-114 DBJ BAC26415 "unnamed protein product [Mus musculus]" 94.76 196 98.90 98.90 8.94e-114 GB AAA20491 "amelogenin precursor [Rattus norvegicus]" 94.76 196 98.90 98.90 8.94e-114 GB AAA37218 "amelogenin (Enamel-Specific Protein), partial [Mus musculus]" 80.63 154 99.35 99.35 1.36e-93 GB AAB02691 "amelogenin [Rattus norvegicus]" 94.24 219 98.33 98.89 7.80e-112 GB AAH59090 "Amelx protein [Mus musculus]" 94.24 219 98.89 98.89 1.22e-112 GB ABY48714 "amelogenin, partial [Mus musculus]" 65.97 126 100.00 100.00 8.15e-70 REF NP_001075447 "amelogenin, X isoform isoform 1 precursor [Mus musculus]" 94.24 219 98.89 98.89 1.22e-112 REF NP_001258003 "amelogenin, X isoform isoform 1 precursor [Rattus norvegicus]" 94.24 219 98.89 98.89 7.22e-113 REF NP_001258006 "amelogenin, X isoform isoform 6 precursor [Rattus norvegicus]" 94.76 196 98.90 98.90 8.94e-114 REF NP_033796 "amelogenin, X isoform isoform 2 precursor [Mus musculus]" 94.76 196 98.90 98.90 8.94e-114 REF XP_003503248 "PREDICTED: amelogenin, X isoform [Cricetulus griseus]" 94.24 219 98.33 98.33 2.18e-111 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $amelogenin Mouse 10090 Eukaryota Metazoa Mus musculus 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 $amelogenin 'recombinant technology' . Escherichia coli BL21(DE3) pQE30 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $amelogenin 2 mM '[U-99% 13C; U-99% 15N]' 'acetic acid' 2 % [U-2H] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $amelogenin 0.2-1 mM 0.2 1 '50% [U-15N]-Leu' 'acetic acid' 2 % . . [U-2H] stop_ save_ save_Sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $amelogenin 0.2-1 mM 0.2 1 '50% [U-15N]-Val' 'acetic acid' 2 % . . [U-2H] stop_ save_ save_Sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $amelogenin 0.2-1 mM 0.2 1 '50% [U-15N]-His' 'acetic acid' 2 % . . [U-2H] stop_ save_ save_Sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $amelogenin 0.2-1 mM 0.2 1 '50% [U-15N]-Arg' 'acetic acid' 2 % . . [U-2H] stop_ save_ save_Sample_6 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $amelogenin 0.2-1 mM 0.2 1 '50% [U-15N]-Lys' 'acetic acid' 2 % . . [U-2H] stop_ save_ save_Sample_7 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $amelogenin 0.2-1 mM 0.2 1 '50% [U-15N]-Met' 'acetic acid' 2 % . . [U-2H] stop_ save_ save_Sample_8 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $amelogenin 0.2-1 mM 0.2 1 '50% [U-15N]-Phe' 'acetic acid' 2 % . . [U-2H] stop_ save_ save_Sample_9 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $amelogenin 0.2-1 mM 0.2 1 '50% [U-15N]-Tyr' 'acetic acid' 2 % . . [U-2H] stop_ save_ save_Sample_10 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $amelogenin 0.2-1 mM 0.2 1 '50% [U-15N]-Glu/Gln' 'acetic acid' 2 % . . [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name FELIX _Version 2007 loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNN_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNN' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Sample_3 save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Sample_4 save_ save_2D_1H-15N_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Sample_5 save_ save_2D_1H-15N_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Sample_6 save_ save_2D_1H-15N_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Sample_7 save_ save_2D_1H-15N_HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Sample_8 save_ save_2D_1H-15N_HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Sample_9 save_ save_2D_1H-15N_HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Sample_10 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 3 0.1 pH pressure 1 . atm temperature 298 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D 1H-15N TOCSY' '3D C(CO)NH' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name amelogenin _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 MET HA H 4.13 0.02 1 2 1 1 MET C C 172.2 0.2 1 3 1 1 MET CA C 55.1 0.2 1 4 1 1 MET CB C 30.6 0.2 1 5 2 2 ARG H H 8.81 0.02 1 6 2 2 ARG HA H 4.39 0.02 1 7 2 2 ARG HB2 H 1.78 0.02 2 8 2 2 ARG HB3 H 1.78 0.02 2 9 2 2 ARG HD2 H 3.17 0.02 2 10 2 2 ARG HD3 H 3.17 0.02 2 11 2 2 ARG HG2 H 1.62 0.02 2 12 2 2 ARG HG3 H 1.62 0.02 2 13 2 2 ARG C C 176.3 0.2 1 14 2 2 ARG CA C 56.7 0.2 1 15 2 2 ARG CB C 30.6 0.2 1 16 2 2 ARG CD C 43.5 0.2 1 17 2 2 ARG CG C 26.9 0.2 1 18 2 2 ARG N N 124.6 0.1 1 19 3 3 GLY H H 8.53 0.02 1 20 3 3 GLY HA2 H 3.94 0.02 2 21 3 3 GLY HA3 H 3.94 0.02 2 22 3 3 GLY C C 173.7 0.2 1 23 3 3 GLY CA C 45.1 0.2 1 24 3 3 GLY N N 111.1 0.1 1 25 4 4 SER H H 8.17 0.02 1 26 4 4 SER HB2 H 3.19 0.02 2 27 4 4 SER HB3 H 3.07 0.02 2 28 4 4 SER C C 174.4 0.2 1 29 4 4 SER CA C 57.7 0.2 1 30 4 4 SER CB C 63.6 0.2 1 31 4 4 SER N N 115.1 0.1 1 32 5 5 HIS H H 8.72 0.02 1 33 5 5 HIS HB2 H 3.17 0.02 2 34 5 5 HIS HB3 H 3.03 0.02 2 35 5 5 HIS C C 174.1 0.2 1 36 5 5 HIS CA C 55.1 0.2 1 37 5 5 HIS CB C 29.1 0.2 1 38 5 5 HIS N N 120.3 0.1 1 39 6 6 HIS H H 8.61 0.02 1 40 6 6 HIS HB2 H 3.17 0.02 2 41 6 6 HIS HB3 H 3.03 0.02 2 42 6 6 HIS C C 174.1 0.2 1 43 6 6 HIS CA C 55.4 0.2 1 44 6 6 HIS CB C 28.8 0.2 1 45 6 6 HIS N N 120.3 0.1 1 46 7 7 HIS H H 8.54 0.02 1 47 7 7 HIS HB2 H 3.19 0.02 2 48 7 7 HIS HB3 H 3.10 0.02 2 49 7 7 HIS C C 174.0 0.2 1 50 7 7 HIS CA C 55.1 0.2 1 51 7 7 HIS CB C 29.1 0.2 1 52 7 7 HIS N N 119.5 0.1 1 53 8 8 HIS H H 8.77 0.02 1 54 8 8 HIS HB2 H 3.17 0.02 2 55 8 8 HIS HB3 H 3.12 0.02 2 56 8 8 HIS C C 174.0 0.2 1 57 8 8 HIS CA C 55.4 0.2 1 58 8 8 HIS CB C 29.4 0.2 1 59 8 8 HIS N N 120.9 0.1 1 60 9 9 HIS H H 8.76 0.02 1 61 9 9 HIS HB2 H 3.14 0.02 2 62 9 9 HIS HB3 H 3.14 0.02 2 63 9 9 HIS C C 173.9 0.2 1 64 9 9 HIS CA C 55.4 0.2 1 65 9 9 HIS CB C 29.1 0.2 1 66 9 9 HIS N N 121.5 0.1 1 67 10 10 HIS H H 8.67 0.02 1 68 10 10 HIS HA H 4.59 0.02 1 69 10 10 HIS HB2 H 3.17 0.02 2 70 10 10 HIS HB3 H 3.17 0.02 2 71 10 10 HIS C C 174.3 0.2 1 72 10 10 HIS CA C 55.4 0.2 1 73 10 10 HIS CB C 29.4 0.2 1 74 10 10 HIS N N 122.1 0.1 1 75 11 11 GLY H H 8.48 0.02 1 76 11 11 GLY HA2 H 3.87 0.02 2 77 11 11 GLY HA3 H 3.87 0.02 2 78 11 11 GLY C C 173.4 0.2 1 79 11 11 GLY CA C 45.1 0.2 1 80 11 11 GLY N N 111.5 0.1 1 81 12 12 SER H H 8.33 0.02 1 82 12 12 SER CA C 56.5 0.2 1 83 12 12 SER CB C 63.6 0.2 1 84 12 12 SER N N 117.6 0.1 1 85 13 13 PRO HA H 4.44 0.02 5 86 13 13 PRO HB2 H 2.23 0.02 2 87 13 13 PRO HB3 H 1.99 0.02 2 88 13 13 PRO HG2 H 1.99 0.02 2 89 13 13 PRO HG3 H 1.88 0.02 5 90 13 13 PRO C C 176.5 0.2 1 91 13 13 PRO CA C 63.2 0.2 5 92 13 13 PRO CB C 31.9 0.2 5 93 13 13 PRO CD C 50.7 0.2 5 94 13 13 PRO CG C 27.2 0.2 1 95 14 14 LEU H H 8.28 0.02 5 96 14 14 LEU CA C 53.0 0.2 1 97 14 14 LEU CB C 41.3 0.2 5 98 14 14 LEU N N 124.1 0.1 5 99 16 16 PRO HA H 4.32 0.02 1 100 16 16 PRO HG2 H 1.97 0.02 2 101 16 16 PRO HG3 H 1.73 0.02 2 102 16 16 PRO C C 176.2 0.2 1 103 16 16 PRO CA C 62.9 0.2 1 104 16 16 PRO CB C 32.2 0.2 1 105 16 16 PRO CD C 50.4 0.2 1 106 16 16 PRO CG C 27.2 0.2 1 107 17 17 HIS H H 8.37 0.02 1 108 17 17 HIS CA C 53.0 0.2 1 109 17 17 HIS CB C 28.4 0.2 1 110 17 17 HIS N N 118.7 0.1 1 111 18 18 PRO HA H 4.01 0.02 1 112 18 18 PRO HB2 H 2.14 0.02 2 113 18 18 PRO HB3 H 1.99 0.02 2 114 18 18 PRO HG2 H 1.86 0.02 2 115 18 18 PRO HG3 H 1.86 0.02 2 116 18 18 PRO C C 177.2 0.2 1 117 18 18 PRO CA C 63.9 0.2 1 118 18 18 PRO CB C 31.6 0.2 1 119 18 18 PRO CD C 50.4 0.2 1 120 18 18 PRO CG C 27.2 0.2 1 121 19 19 GLY H H 8.41 0.02 1 122 19 19 GLY HA2 H 4.01 0.02 2 123 19 19 GLY HA3 H 3.87 0.02 2 124 19 19 GLY C C 173.9 0.2 1 125 19 19 GLY CA C 45.1 0.2 1 126 19 19 GLY N N 110.6 0.1 1 127 20 20 SER H H 8.13 0.02 1 128 20 20 SER CA C 56.5 0.2 1 129 20 20 SER CB C 63.0 0.2 1 130 20 20 SER N N 117.1 0.1 1 131 21 21 PRO HA H 4.39 0.02 1 132 21 21 PRO HB2 H 2.25 0.02 2 133 21 21 PRO HB3 H 2.02 0.02 2 134 21 21 PRO HD2 H 3.85 0.02 2 135 21 21 PRO HD3 H 3.68 0.02 2 136 21 21 PRO HG2 H 1.85 0.02 2 137 21 21 PRO HG3 H 1.85 0.02 2 138 21 21 PRO C C 177.4 0.2 1 139 21 21 PRO CA C 63.9 0.2 1 140 21 21 PRO CB C 31.6 0.2 1 141 21 21 PRO CD C 50.7 0.2 1 142 21 21 PRO CG C 27.5 0.2 1 143 22 22 GLY H H 8.41 0.02 1 144 22 22 GLY HA2 H 3.85 0.02 2 145 22 22 GLY HA3 H 3.85 0.02 2 146 22 22 GLY C C 173.7 0.2 1 147 22 22 GLY CA C 45.1 0.2 1 148 22 22 GLY N N 109.3 0.1 1 149 23 23 TYR H H 7.85 0.02 1 150 23 23 TYR HA H 4.39 0.02 1 151 23 23 TYR HB2 H 2.93 0.02 2 152 23 23 TYR HB3 H 2.93 0.02 2 153 23 23 TYR C C 175.3 0.2 1 154 23 23 TYR CA C 58.3 0.2 1 155 23 23 TYR CB C 38.8 0.2 1 156 23 23 TYR N N 120.3 0.1 1 157 24 24 ILE H H 7.82 0.02 1 158 24 24 ILE HA H 3.99 0.02 1 159 24 24 ILE HB H 1.69 0.02 1 160 24 24 ILE HG12 H 1.38 0.02 2 161 24 24 ILE HG13 H 1.03 0.02 2 162 24 24 ILE HG2 H 0.77 0.02 1 163 24 24 ILE C C 174.7 0.2 1 164 24 24 ILE CA C 60.7 0.2 1 165 24 24 ILE CB C 39.1 0.2 1 166 24 24 ILE CG1 C 27.2 0.2 1 167 24 24 ILE CG2 C 17.2 0.2 1 168 24 24 ILE N N 124.1 0.1 1 169 25 25 ASN H H 8.32 0.02 1 170 25 25 ASN HA H 4.55 0.02 1 171 25 25 ASN HB2 H 2.82 0.02 2 172 25 25 ASN HB3 H 2.65 0.02 2 173 25 25 ASN C C 175.2 0.2 1 174 25 25 ASN CA C 53.0 0.2 1 175 25 25 ASN CB C 39.0 0.2 1 176 25 25 ASN N N 123.0 0.1 1 177 26 26 LEU H H 8.32 0.02 1 178 26 26 LEU HA H 4.27 0.02 1 179 26 26 LEU HB2 H 1.55 0.02 4 180 26 26 LEU HB3 H 1.48 0.02 4 181 26 26 LEU HD1 H 0.82 0.02 2 182 26 26 LEU HD2 H 0.82 0.02 2 183 26 26 LEU HG H 1.48 0.02 4 184 26 26 LEU C C 177.4 0.2 1 185 26 26 LEU CA C 55.4 0.2 1 186 26 26 LEU CB C 42.2 0.2 1 187 26 26 LEU CD1 C 25.0 0.2 2 188 26 26 LEU CD2 C 23.1 0.2 2 189 26 26 LEU CG C 26.9 0.2 1 190 26 26 LEU N N 124.2 0.1 1 191 27 27 SER H H 8.17 0.02 1 192 27 27 SER HA H 4.34 0.02 1 193 27 27 SER HB2 H 3.78 0.02 2 194 27 27 SER HB3 H 3.78 0.02 2 195 27 27 SER C C 174.1 0.2 1 196 27 27 SER CA C 58.9 0.2 1 197 27 27 SER CB C 63.6 0.2 1 198 27 27 SER N N 116.0 0.1 1 199 28 28 TYR H H 7.87 0.02 1 200 28 28 TYR C C 175.3 0.2 1 201 28 28 TYR CB C 38.4 0.2 1 202 28 28 TYR N N 121.2 0.1 1 203 29 29 GLU H H 7.98 0.02 1 204 29 29 GLU HA H 4.31 0.02 1 205 29 29 GLU C C 175.3 0.2 1 206 29 29 GLU CA C 55.7 0.2 1 207 29 29 GLU CB C 29.1 0.2 1 208 29 29 GLU CG C 32.9 0.2 1 209 29 29 GLU N N 121.5 0.1 1 210 30 30 VAL H H 7.99 0.02 1 211 30 30 VAL HA H 4.04 0.02 1 212 30 30 VAL HB H 2.02 0.02 1 213 30 30 VAL HG1 H 0.89 0.02 2 214 30 30 VAL HG2 H 0.89 0.02 2 215 30 30 VAL C C 175.9 0.2 1 216 30 30 VAL CA C 62.6 0.2 1 217 30 30 VAL CB C 32.8 0.2 1 218 30 30 VAL CG1 C 20.6 0.2 2 219 30 30 VAL CG2 C 20.6 0.2 2 220 30 30 VAL N N 121.2 0.1 1 221 31 31 LEU H H 8.24 0.02 1 222 31 31 LEU HA H 4.39 0.02 1 223 31 31 LEU HB2 H 1.62 0.02 4 224 31 31 LEU HB3 H 1.50 0.02 4 225 31 31 LEU HD1 H 0.82 0.02 2 226 31 31 LEU HD2 H 0.82 0.02 2 227 31 31 LEU HG H 1.50 0.02 4 228 31 31 LEU C C 176.9 0.2 1 229 31 31 LEU CA C 55.1 0.2 1 230 31 31 LEU CB C 42.6 0.2 1 231 31 31 LEU CD1 C 24.7 0.2 2 232 31 31 LEU CD2 C 23.4 0.2 2 233 31 31 LEU CG C 26.9 0.2 1 234 31 31 LEU N N 126.0 0.1 1 235 32 32 THR H H 8.00 0.02 1 236 32 32 THR CA C 59.5 0.2 1 237 32 32 THR CB C 69.4 0.2 1 238 32 32 THR N N 117.3 0.1 1 239 33 33 PRO HB2 H 2.21 0.02 2 240 33 33 PRO HB3 H 1.94 0.02 2 241 33 33 PRO HG2 H 1.94 0.02 2 242 33 33 PRO HG3 H 1.73 0.02 2 243 33 33 PRO C C 176.8 0.2 1 244 33 33 PRO CA C 63.2 0.2 1 245 33 33 PRO CB C 31.9 0.2 1 246 33 33 PRO CD C 50.4 0.2 1 247 33 33 PRO CG C 27.2 0.2 1 248 34 34 LEU H H 8.14 0.02 1 249 34 34 LEU HA H 4.25 0.02 1 250 34 34 LEU HB2 H 1.57 0.02 4 251 34 34 LEU HB3 H 1.43 0.02 4 252 34 34 LEU HD1 H 0.85 0.02 2 253 34 34 LEU HD2 H 0.85 0.02 2 254 34 34 LEU HG H 1.43 0.02 4 255 34 34 LEU C C 177.5 0.2 1 256 34 34 LEU CA C 55.7 0.2 1 257 34 34 LEU CB C 42.6 0.2 1 258 34 34 LEU CD1 C 24.7 0.2 2 259 34 34 LEU CD2 C 23.7 0.2 2 260 34 34 LEU CG C 27.2 0.2 1 261 34 34 LEU N N 121.8 0.1 1 262 35 35 LYS H H 8.08 0.02 1 263 35 35 LYS C C 176.8 0.2 1 264 35 35 LYS CA C 56.6 0.2 1 265 35 35 LYS CB C 32.9 0.2 1 266 35 35 LYS CG C 24.8 0.2 1 267 35 35 LYS N N 121.0 0.1 1 268 36 36 TRP H H 8.00 0.02 1 269 36 36 TRP HB2 H 3.17 0.02 2 270 36 36 TRP HB3 H 3.17 0.02 2 271 36 36 TRP C C 176.1 0.2 1 272 36 36 TRP CA C 57.7 0.2 1 273 36 36 TRP CB C 29.6 0.2 1 274 36 36 TRP N N 121.3 0.1 1 275 37 37 TYR H H 7.60 0.02 1 276 37 37 TYR HB2 H 2.75 0.02 2 277 37 37 TYR HB3 H 2.75 0.02 2 278 37 37 TYR C C 175.6 0.2 1 279 37 37 TYR CA C 58.3 0.2 1 280 37 37 TYR CB C 38.5 0.2 1 281 37 37 TYR N N 121.0 0.1 1 282 38 38 GLN H H 7.97 0.02 1 283 38 38 GLN HA H 4.06 0.02 1 284 38 38 GLN HB2 H 2.23 0.02 2 285 38 38 GLN HB3 H 2.23 0.02 2 286 38 38 GLN C C 175.9 0.2 1 287 38 38 GLN CA C 56.3 0.2 1 288 38 38 GLN CB C 29.1 0.2 1 289 38 38 GLN CG C 33.8 0.2 1 290 38 38 GLN N N 120.9 0.1 1 291 39 39 SER H H 8.03 0.02 1 292 39 39 SER HA H 4.29 0.02 1 293 39 39 SER HB2 H 3.82 0.02 2 294 39 39 SER HB3 H 3.82 0.02 2 295 39 39 SER C C 174.4 0.2 1 296 39 39 SER CA C 58.3 0.2 1 297 39 39 SER CB C 63.6 0.2 1 298 39 39 SER N N 115.9 0.1 1 299 40 40 MET H H 8.10 0.02 1 300 40 40 MET HA H 4.39 0.02 1 301 40 40 MET C C 176.0 0.2 1 302 40 40 MET CA C 55.7 0.2 1 303 40 40 MET CB C 31.6 0.2 1 304 40 40 MET N N 121.9 0.2 1 305 41 41 ILE H H 7.90 0.02 1 306 41 41 ILE HA H 4.08 0.02 1 307 41 41 ILE HB H 1.78 0.02 1 308 41 41 ILE HG12 H 1.38 0.02 2 309 41 41 ILE HG13 H 1.10 0.02 2 310 41 41 ILE C C 175.9 0.2 1 311 41 41 ILE CA C 61.4 0.2 1 312 41 41 ILE CB C 38.5 0.2 1 313 41 41 ILE CG1 C 27.2 0.2 1 314 41 41 ILE N N 121.3 0.1 1 315 42 42 ARG H H 8.24 0.02 1 316 42 42 ARG HA H 4.26 0.02 1 317 42 42 ARG HB2 H 1.78 0.02 2 318 42 42 ARG HB3 H 1.78 0.02 2 319 42 42 ARG HG2 H 1.66 0.02 2 320 42 42 ARG HG3 H 1.38 0.02 2 321 42 42 ARG C C 176.3 0.2 1 322 42 42 ARG CA C 55.7 0.2 1 323 42 42 ARG CB C 30.7 0.2 1 324 42 42 ARG CD C 43.2 0.2 1 325 42 42 ARG CG C 27.3 0.2 1 326 42 42 ARG N N 125.0 0.1 1 327 43 43 GLN H H 8.24 0.02 1 328 43 43 GLN CA C 53.6 0.2 1 329 43 43 GLN CB C 29.0 0.2 1 330 43 43 GLN N N 122.9 0.1 1 331 44 44 PRO HA H 4.29 0.02 1 332 44 44 PRO HB2 H 2.11 0.02 2 333 44 44 PRO HB3 H 1.88 0.02 2 334 44 44 PRO HG2 H 1.88 0.02 2 335 44 44 PRO HG3 H 1.71 0.02 2 336 44 44 PRO C C 176.1 0.2 1 337 44 44 PRO CA C 63.2 0.2 1 338 44 44 PRO CB C 31.6 0.2 1 339 44 44 PRO CD C 50.7 0.2 1 340 44 44 PRO CG C 27.2 0.2 1 341 45 45 TYR H H 7.91 0.02 1 342 45 45 TYR CA C 55.4 0.2 1 343 45 45 TYR CB C 38.4 0.2 1 344 45 45 TYR N N 120.6 0.1 1 345 46 46 PRO HA H 4.29 0.02 1 346 46 46 PRO HB2 H 2.08 0.02 2 347 46 46 PRO HB3 H 1.85 0.02 2 348 46 46 PRO HG2 H 1.64 0.02 2 349 46 46 PRO HG3 H 1.64 0.02 2 350 46 46 PRO C C 176.5 0.2 1 351 46 46 PRO CA C 63.2 0.2 1 352 46 46 PRO CB C 31.9 0.2 1 353 46 46 PRO CD C 50.7 0.2 1 354 46 46 PRO CG C 27.5 0.2 1 355 47 47 SER H H 8.15 0.02 1 356 47 47 SER HB2 H 3.82 0.02 2 357 47 47 SER HB3 H 3.82 0.02 2 358 47 47 SER C C 174.3 0.2 1 359 47 47 SER CA C 58.3 0.2 1 360 47 47 SER CB C 63.6 0.2 1 361 47 47 SER N N 115.6 0.1 1 362 48 48 TYR H H 8.01 0.02 1 363 48 48 TYR HB2 H 3.00 0.02 2 364 48 48 TYR HB3 H 2.86 0.02 2 365 48 48 TYR C C 176.1 0.2 1 366 48 48 TYR CB C 38.8 0.2 1 367 48 48 TYR N N 121.6 0.2 1 368 49 49 GLY H H 8.20 0.02 1 369 49 49 GLY HA2 H 3.87 0.02 2 370 49 49 GLY HA3 H 3.78 0.02 2 371 49 49 GLY C C 173.4 0.2 1 372 49 49 GLY CA C 45.1 0.2 1 373 49 49 GLY N N 110.5 0.1 1 374 50 50 TYR H H 7.90 0.02 1 375 50 50 TYR HA H 4.46 0.02 1 376 50 50 TYR HB2 H 2.89 0.02 2 377 50 50 TYR HB3 H 2.89 0.02 2 378 50 50 TYR C C 175.2 0.2 1 379 50 50 TYR CA C 57.7 0.2 1 380 50 50 TYR CB C 39.0 0.2 1 381 50 50 TYR N N 120.3 0.1 1 382 51 51 GLU H H 7.98 0.02 1 383 51 51 GLU CA C 53.0 0.2 1 384 51 51 GLU CB C 29.6 0.2 1 385 51 51 GLU N N 124.2 0.2 1 386 52 52 PRO C C 176.9 0.2 1 387 52 52 PRO CA C 63.2 0.2 1 388 52 52 PRO CB C 31.9 0.2 1 389 52 52 PRO CD C 50.7 0.2 1 390 52 52 PRO CG C 27.2 0.2 1 391 53 53 MET H H 8.39 0.02 1 392 53 53 MET HA H 4.29 0.02 1 393 53 53 MET HG2 H 2.51 0.02 2 394 53 53 MET HG3 H 2.51 0.02 2 395 53 53 MET C C 176.9 0.2 1 396 53 53 MET CA C 57.7 0.2 1 397 53 53 MET N N 120.6 0.1 1 398 54 54 GLY H H 8.32 0.02 1 399 54 54 GLY HA2 H 3.91 0.02 2 400 54 54 GLY HA3 H 3.84 0.02 2 401 54 54 GLY C C 174.7 0.2 1 402 54 54 GLY CA C 45.4 0.2 1 403 54 54 GLY N N 110.4 0.1 1 404 55 55 GLY H H 8.14 0.02 1 405 55 55 GLY HA2 H 3.92 0.02 2 406 55 55 GLY HA3 H 3.78 0.02 2 407 55 55 GLY C C 174.0 0.2 1 408 55 55 GLY CA C 45.4 0.2 1 409 55 55 GLY N N 108.8 0.1 1 410 56 56 TRP H H 7.87 0.02 1 411 56 56 TRP HA H 4.52 0.02 1 412 56 56 TRP HB2 H 3.26 0.02 2 413 56 56 TRP HB3 H 3.14 0.02 2 414 56 56 TRP C C 176.5 0.2 1 415 56 56 TRP CA C 57.7 0.2 1 416 56 56 TRP CB C 29.6 0.2 1 417 56 56 TRP N N 120.1 0.1 1 418 57 57 LEU H H 7.97 0.02 1 419 57 57 LEU HA H 4.11 0.02 1 420 57 57 LEU HB2 H 1.50 0.02 4 421 57 57 LEU HB3 H 1.38 0.02 4 422 57 57 LEU HD1 H 0.72 0.02 2 423 57 57 LEU HD2 H 0.72 0.02 2 424 57 57 LEU HG H 1.29 0.02 4 425 57 57 LEU C C 176.9 0.2 1 426 57 57 LEU CA C 55.4 0.2 1 427 57 57 LEU CB C 42.6 0.2 1 428 57 57 LEU CD1 C 24.7 0.2 2 429 57 57 LEU CD2 C 23.4 0.2 2 430 57 57 LEU CG C 26.9 0.2 1 431 57 57 LEU N N 122.4 0.1 1 432 58 58 HIS H H 8.25 0.02 1 433 58 58 HIS HB2 H 3.19 0.02 2 434 58 58 HIS HB3 H 3.05 0.02 2 435 58 58 HIS C C 174.0 0.2 1 436 58 58 HIS CA C 55.4 0.2 1 437 58 58 HIS CB C 28.8 0.2 1 438 58 58 HIS N N 118.1 0.1 1 439 59 59 HIS H H 8.36 0.02 1 440 59 59 HIS HB2 H 3.19 0.02 2 441 59 59 HIS HB3 H 3.05 0.02 2 442 59 59 HIS C C 173.7 0.2 1 443 59 59 HIS CA C 55.4 0.2 1 444 59 59 HIS CB C 29.0 0.2 1 445 59 59 HIS N N 119.4 0.1 1 446 60 60 GLN H H 8.43 0.02 1 447 60 60 GLN HA H 4.29 0.02 1 448 60 60 GLN C C 175.3 0.2 1 449 60 60 GLN CA C 55.7 0.2 1 450 60 60 GLN CB C 29.4 0.2 1 451 60 60 GLN CG C 33.5 0.2 1 452 60 60 GLN N N 122.6 0.1 1 453 61 61 ILE H H 8.34 0.02 1 454 61 61 ILE HA H 4.11 0.02 1 455 61 61 ILE HB H 1.76 0.02 1 456 61 61 ILE HD1 H 0.82 0.02 4 457 61 61 ILE HG12 H 1.43 0.02 2 458 61 61 ILE HG13 H 1.10 0.02 2 459 61 61 ILE HG2 H 0.82 0.02 4 460 61 61 ILE C C 175.9 0.2 1 461 61 61 ILE CA C 61.0 0.2 1 462 61 61 ILE CB C 38.5 0.2 1 463 61 61 ILE CG1 C 27.2 0.2 1 464 61 61 ILE CG2 C 17.4 0.2 1 465 61 61 ILE N N 123.9 0.1 1 466 62 62 ILE H H 8.26 0.02 1 467 62 62 ILE C C 175.3 0.2 1 468 62 62 ILE CA C 58.3 0.2 1 469 62 62 ILE CB C 38.3 0.2 1 470 62 62 ILE N N 128.1 0.1 1 471 63 63 PRO HA H 4.41 0.02 1 472 63 63 PRO HB2 H 2.28 0.02 2 473 63 63 PRO HB3 H 1.97 0.02 2 474 63 63 PRO HG2 H 1.97 0.02 2 475 63 63 PRO HG3 H 1.83 0.02 2 476 63 63 PRO C C 176.3 0.2 1 477 63 63 PRO CA C 63.2 0.2 1 478 63 63 PRO CB C 31.9 0.2 1 479 63 63 PRO CD C 50.7 0.2 1 480 63 63 PRO CG C 27.2 0.2 1 481 64 64 VAL H H 8.21 0.02 1 482 64 64 VAL HA H 4.01 0.02 1 483 64 64 VAL HB H 1.97 0.02 1 484 64 64 VAL HG1 H 0.97 0.02 2 485 64 64 VAL HG2 H 0.97 0.02 2 486 64 64 VAL C C 176.2 0.1 1 487 64 64 VAL CA C 62.6 0.2 1 488 64 64 VAL CB C 32.8 0.2 1 489 64 64 VAL CG1 C 20.9 0.2 2 490 64 64 VAL CG2 C 20.9 0.2 2 491 64 64 VAL N N 121.3 0.1 1 492 65 65 LEU H H 8.34 0.02 1 493 65 65 LEU HA H 4.36 0.02 1 494 65 65 LEU HB2 H 1.57 0.02 4 495 65 65 LEU HB3 H 1.57 0.02 4 496 65 65 LEU HD1 H 0.85 0.02 2 497 65 65 LEU HD2 H 0.85 0.02 2 498 65 65 LEU HG H 1.57 0.02 4 499 65 65 LEU C C 177.2 0.2 1 500 65 65 LEU CA C 55.4 0.2 1 501 65 65 LEU CB C 42.2 0.2 1 502 65 65 LEU CD1 C 24.7 0.2 2 503 65 65 LEU CD2 C 24.4 0.2 2 504 65 65 LEU CG C 26.9 0.2 1 505 65 65 LEU N N 126.7 0.1 1 506 66 66 SER H H 8.25 0.02 1 507 66 66 SER HA H 4.37 0.02 1 508 66 66 SER HB2 H 3.82 0.02 2 509 66 66 SER HB3 H 3.82 0.02 2 510 66 66 SER CA C 58.3 0.2 1 511 66 66 SER CB C 63.6 0.2 1 512 66 66 SER N N 116.9 0.1 1 513 67 67 GLN H H 8.35 0.02 1 514 67 67 GLN HA H 4.27 0.02 1 515 67 67 GLN C C 175.6 0.2 1 516 67 67 GLN CA C 56.0 0.2 1 517 67 67 GLN CB C 29.1 0.2 1 518 67 67 GLN CG C 33.8 0.2 1 519 67 67 GLN N N 122.3 0.1 1 520 68 68 GLN H H 8.29 0.02 1 521 68 68 GLN HA H 4.22 0.02 1 522 68 68 GLN HB2 H 2.28 0.02 2 523 68 68 GLN HB3 H 2.28 0.02 2 524 68 68 GLN C C 175.5 0.2 1 525 68 68 GLN CA C 55.7 0.2 1 526 68 68 GLN CB C 29.1 0.2 1 527 68 68 GLN CG C 33.8 0.2 1 528 68 68 GLN N N 121.3 0.1 1 529 69 69 HIS H H 8.50 0.02 1 530 69 69 HIS CA C 54.8 0.2 1 531 69 69 HIS CB C 29.0 0.2 1 532 69 69 HIS N N 120.0 0.2 1 533 70 70 PRO CA C 63.6 0.2 1 534 70 70 PRO CB C 31.9 0.2 1 535 70 70 PRO CD C 50.7 0.2 1 536 70 70 PRO CG C 27.2 0.2 1 537 71 71 PRO HA H 4.43 0.02 1 538 71 71 PRO HB2 H 2.28 0.02 2 539 71 71 PRO HB3 H 2.02 0.02 2 540 71 71 PRO HD2 H 3.61 0.02 2 541 71 71 PRO HD3 H 3.61 0.02 2 542 71 71 PRO HG2 H 1.85 0.02 2 543 71 71 PRO HG3 H 1.85 0.02 2 544 71 71 PRO C C 176.8 0.2 1 545 71 71 PRO CA C 63.2 0.2 1 546 71 71 PRO CB C 31.9 0.2 1 547 71 71 PRO CD C 50.4 0.2 1 548 71 71 PRO CG C 27.2 0.2 1 549 72 72 SER H H 8.42 0.02 1 550 72 72 SER HA H 4.32 0.02 1 551 72 72 SER HB2 H 3.77 0.02 2 552 72 72 SER HB3 H 3.77 0.02 2 553 72 72 SER C C 174.4 0.2 1 554 72 72 SER CA C 58.3 0.2 1 555 72 72 SER CB C 63.6 0.2 1 556 72 72 SER N N 116.3 0.1 1 557 73 73 HIS H H 8.59 0.02 1 558 73 73 HIS HB2 H 3.26 0.02 2 559 73 73 HIS HB3 H 3.14 0.02 2 560 73 73 HIS C C 174.3 0.2 1 561 73 73 HIS CA C 54.8 0.2 1 562 73 73 HIS CB C 29.0 0.2 1 563 73 73 HIS N N 120.6 0.1 1 564 74 74 THR H H 8.22 0.02 1 565 74 74 THR HB H 4.08 0.02 1 566 74 74 THR HG2 H 1.15 0.02 1 567 74 74 THR C C 174.1 0.02 1 568 74 74 THR CA C 61.8 0.2 1 569 74 74 THR CB C 70.1 0.2 1 570 74 74 THR N N 116.5 0.1 1 571 75 75 LEU H H 8.36 0.02 1 572 75 75 LEU HA H 4.34 0.02 1 573 75 75 LEU HB2 H 1.57 0.02 4 574 75 75 LEU HB3 H 1.57 0.02 4 575 75 75 LEU HD1 H 0.87 0.02 2 576 75 75 LEU HD2 H 0.87 0.02 2 577 75 75 LEU HG H 1.57 0.02 4 578 75 75 LEU C C 176.8 0.2 1 579 75 75 LEU CA C 55.1 0.2 1 580 75 75 LEU CB C 42.2 0.2 1 581 75 75 LEU CD1 C 24.7 0.2 2 582 75 75 LEU CD2 C 23.4 0.2 2 583 75 75 LEU CG C 26.9 0.2 1 584 75 75 LEU N N 125.7 0.1 1 585 76 76 GLN H H 8.40 0.02 1 586 76 76 GLN CA C 53.6 0.2 1 587 76 76 GLN CB C 29.0 0.2 1 588 76 76 GLN N N 123.2 0.1 1 589 77 77 PRO HA H 4.32 0.02 1 590 77 77 PRO HB2 H 2.18 0.02 2 591 77 77 PRO HB3 H 1.92 0.02 2 592 77 77 PRO HG2 H 1.92 0.02 2 593 77 77 PRO HG3 H 1.69 0.02 2 594 77 77 PRO C C 176.5 0.2 1 595 77 77 PRO CA C 63.2 0.2 1 596 77 77 PRO CB C 31.9 0.2 1 597 77 77 PRO CD C 50.7 0.2 1 598 77 77 PRO CG C 27.2 0.2 1 599 78 78 HIS H H 8.59 0.02 1 600 78 78 HIS HA H 4.59 0.02 1 601 78 78 HIS HB2 H 3.14 0.02 2 602 78 78 HIS HB3 H 3.14 0.02 2 603 78 78 HIS C C 174.3 0.2 1 604 78 78 HIS CA C 55.4 0.2 1 605 78 78 HIS CB C 28.8 0.2 1 606 78 78 HIS N N 118.6 0.1 1 607 79 79 HIS H H 8.54 0.02 1 608 79 79 HIS HB2 H 3.19 0.02 2 609 79 79 HIS HB3 H 3.10 0.02 2 610 79 79 HIS C C 173.8 0.2 1 611 79 79 HIS CA C 55.1 0.2 1 612 79 79 HIS CB C 29.4 0.2 1 613 79 79 HIS N N 120.2 0.1 1 614 80 80 HIS H H 8.68 0.02 1 615 80 80 HIS HB2 H 3.17 0.02 2 616 80 80 HIS HB3 H 3.17 0.02 2 617 80 80 HIS C C 173.8 0.2 1 618 80 80 HIS CA C 55.1 0.2 1 619 80 80 HIS CB C 29.4 0.2 1 620 80 80 HIS N N 121.2 0.1 1 621 81 81 LEU H H 8.46 0.02 1 622 81 81 LEU C C 175.0 0.2 1 623 81 81 LEU CA C 53.0 0.2 1 624 81 81 LEU CB C 41.3 0.2 1 625 81 81 LEU N N 126.2 0.1 1 626 82 82 PRO HA H 4.36 0.02 1 627 82 82 PRO HB2 H 2.21 0.02 2 628 82 82 PRO HB3 H 1.97 0.02 2 629 82 82 PRO HG2 H 1.97 0.02 2 630 82 82 PRO HG3 H 1.81 0.02 2 631 82 82 PRO C C 176.3 0.2 1 632 82 82 PRO CA C 63.2 0.2 1 633 82 82 PRO CB C 31.9 0.2 1 634 82 82 PRO CD C 51.3 0.2 1 635 82 82 PRO CG C 27.2 0.2 1 636 83 83 VAL H H 8.15 0.02 1 637 83 83 VAL HA H 4.04 0.02 1 638 83 83 VAL HB H 1.95 0.02 1 639 83 83 VAL HG1 H 0.87 0.02 2 640 83 83 VAL HG2 H 0.87 0.02 2 641 83 83 VAL C C 176.1 0.2 1 642 83 83 VAL CA C 62.3 0.2 1 643 83 83 VAL CB C 32.8 0.2 1 644 83 83 VAL CG1 C 20.9 0.2 2 645 83 83 VAL CG2 C 20.9 0.2 2 646 83 83 VAL N N 121.2 0.1 1 647 84 84 VAL H H 8.26 0.02 1 648 84 84 VAL CA C 59.5 0.2 1 649 84 84 VAL CB C 32.5 0.2 1 650 84 84 VAL N N 126.7 0.1 1 651 85 85 PRO HA H 4.34 0.02 1 652 85 85 PRO HB2 H 2.28 0.02 2 653 85 85 PRO HB3 H 2.04 0.02 2 654 85 85 PRO HG2 H 2.04 0.02 2 655 85 85 PRO HG3 H 1.90 0.02 2 656 85 85 PRO C C 176.3 0.2 1 657 85 85 PRO CA C 62.6 0.2 1 658 85 85 PRO CB C 32.5 0.2 1 659 85 85 PRO CD C 51.3 0.2 1 660 85 85 PRO CG C 27.2 0.2 1 661 86 86 ALA H H 8.32 0.02 1 662 86 86 ALA HA H 4.25 0.02 1 663 86 86 ALA HB H 1.34 0.02 1 664 86 86 ALA C C 177.7 0.2 1 665 86 86 ALA CA C 52.6 0.2 1 666 86 86 ALA CB C 19.0 0.2 1 667 86 86 ALA N N 124.4 0.1 1 668 87 87 GLN H H 8.30 0.02 1 669 87 87 GLN HA H 4.29 0.02 1 670 87 87 GLN C C 175.6 0.2 1 671 87 87 GLN CA C 55.7 0.2 1 672 87 87 GLN CB C 29.4 0.2 1 673 87 87 GLN CG C 33.5 0.2 1 674 87 87 GLN N N 119.9 0.1 1 675 88 88 GLN H H 8.43 0.02 1 676 88 88 GLN CA C 53.6 0.2 1 677 88 88 GLN CB C 29.0 0.2 1 678 88 88 GLN N N 123.6 0.1 1 679 89 89 PRO HA H 4.36 0.02 1 680 89 89 PRO HB2 H 2.23 0.02 2 681 89 89 PRO HB3 H 1.97 0.02 2 682 89 89 PRO HG2 H 1.97 0.02 2 683 89 89 PRO HG3 H 1.81 0.02 2 684 89 89 PRO CA C 63.2 0.2 1 685 89 89 PRO CB C 31.9 0.2 1 686 89 89 PRO CD C 50.7 0.2 1 687 89 89 PRO CG C 27.2 0.2 1 688 90 90 VAL H H 8.20 0.02 1 689 90 90 VAL HA H 4.04 0.02 1 690 90 90 VAL HB H 1.99 0.02 1 691 90 90 VAL HG1 H 0.92 0.02 2 692 90 90 VAL HG2 H 0.92 0.02 2 693 90 90 VAL C C 175.6 0.2 1 694 90 90 VAL CA C 62.3 0.2 1 695 90 90 VAL CB C 32.8 0.2 1 696 90 90 VAL CG1 C 20.6 0.2 2 697 90 90 VAL CG2 C 20.6 0.2 2 698 90 90 VAL N N 121.1 0.1 1 699 91 91 ALA H H 8.37 0.02 1 700 91 91 ALA C C 174.7 0.2 1 701 91 91 ALA CA C 50.1 0.2 1 702 91 91 ALA CB C 18.5 0.2 1 703 91 91 ALA N N 129.9 0.1 1 704 92 92 PRO C C 176.6 0.2 1 705 92 92 PRO CA C 62.9 0.2 1 706 92 92 PRO CB C 31.9 0.2 1 707 92 92 PRO CD C 50.7 0.2 1 708 92 92 PRO CG C 27.6 0.2 1 709 93 93 GLN H H 8.41 0.02 1 710 93 93 GLN C C 175.9 0.2 1 711 93 93 GLN CA C 55.4 0.2 1 712 93 93 GLN CB C 29.6 0.2 1 713 93 93 GLN CG C 33.5 0.2 1 714 93 93 GLN N N 120.9 0.1 1 715 94 94 GLN H H 8.43 0.02 1 716 94 94 GLN CA C 53.6 0.2 1 717 94 94 GLN CB C 29.0 0.2 1 718 94 94 GLN CG C 33.5 0.2 1 719 94 94 GLN N N 123.3 0.1 1 720 95 95 PRO HA H 4.43 0.02 1 721 95 95 PRO HB2 H 2.29 0.02 2 722 95 95 PRO HB3 H 2.03 0.02 2 723 95 95 PRO HG2 H 2.03 0.02 2 724 95 95 PRO HG3 H 1.89 0.02 2 725 95 95 PRO C C 176.6 0.2 1 726 95 95 PRO CA C 62.8 0.2 1 727 95 95 PRO CB C 31.9 0.2 1 728 95 95 PRO CG C 27.3 0.2 1 729 96 96 MET H H 8.41 0.02 1 730 96 96 MET C C 175.9 0.2 1 731 96 96 MET CA C 55.4 0.2 1 732 96 96 MET CB C 33.1 0.2 1 733 96 96 MET N N 120.9 0.1 1 734 97 97 MET H H 8.32 0.02 1 735 97 97 MET CA C 53.6 0.2 1 736 97 97 MET CB C 32.5 0.2 1 737 97 97 MET N N 123.5 0.1 1 738 98 98 PRO HA H 4.41 0.02 1 739 98 98 PRO HB2 H 2.21 0.02 2 740 98 98 PRO HB3 H 1.97 0.02 2 741 98 98 PRO HG2 H 1.78 0.02 2 742 98 98 PRO CA C 62.9 0.2 1 743 98 98 PRO CB C 31.9 0.2 1 744 98 98 PRO CD C 51.0 0.2 1 745 98 98 PRO CG C 27.5 0.2 1 746 99 99 VAL H H 8.25 0.02 1 747 99 99 VAL CB C 32.5 0.2 1 748 99 99 VAL N N 122.2 0.1 1 749 100 100 PRO HA H 4.36 0.02 1 750 100 100 PRO HB2 H 2.28 0.02 2 751 100 100 PRO HB3 H 1.99 0.02 2 752 100 100 PRO HD2 H 3.87 0.02 2 753 100 100 PRO HD3 H 3.66 0.02 2 754 100 100 PRO HG2 H 1.85 0.02 2 755 100 100 PRO HG3 H 1.85 0.02 2 756 100 100 PRO C C 177.4 0.2 1 757 100 100 PRO CA C 63.6 0.2 1 758 100 100 PRO CB C 31.9 0.2 1 759 100 100 PRO CD C 51.0 0.2 1 760 100 100 PRO CG C 27.5 0.2 1 761 101 101 GLY H H 8.40 0.02 1 762 101 101 GLY HA2 H 3.87 0.02 2 763 101 101 GLY HA3 H 3.87 0.02 2 764 101 101 GLY C C 173.7 0.2 1 765 101 101 GLY CA C 45.1 0.2 1 766 101 101 GLY N N 109.0 0.1 1 767 102 102 HIS H H 8.33 0.02 1 768 102 102 HIS HB2 H 3.19 0.02 2 769 102 102 HIS HB3 H 3.10 0.02 2 770 102 102 HIS C C 174.0 0.2 1 771 102 102 HIS CA C 54.8 0.2 1 772 102 102 HIS CB C 29.0 0.2 1 773 102 102 HIS N N 118.0 0.1 1 774 103 103 HIS H H 8.60 0.02 1 775 103 103 HIS HB2 H 3.24 0.02 2 776 103 103 HIS HB3 H 3.12 0.02 2 777 103 103 HIS C C 174.1 0.2 1 778 103 103 HIS CA C 55.1 0.2 1 779 103 103 HIS CB C 29.1 0.2 1 780 103 103 HIS N N 120.6 0.2 1 781 104 104 SER H H 8.47 0.02 1 782 104 104 SER HA H 4.41 0.02 1 783 104 104 SER HB2 H 3.80 0.02 2 784 104 104 SER HB3 H 3.80 0.02 2 785 104 104 SER C C 174.3 0.2 1 786 104 104 SER CA C 58.3 0.2 1 787 104 104 SER CB C 63.6 0.2 1 788 104 104 SER N N 118.1 0.2 1 789 105 105 MET H H 8.56 0.02 1 790 105 105 MET HA H 4.55 0.02 1 791 105 105 MET HB2 H 2.56 0.02 2 792 105 105 MET HB3 H 2.51 0.02 2 793 105 105 MET C C 176.1 0.2 1 794 105 105 MET CA C 55.4 0.2 1 795 105 105 MET CB C 33.1 0.2 1 796 105 105 MET N N 123.0 0.1 1 797 106 106 THR H H 8.27 0.02 1 798 106 106 THR CA C 60.1 0.2 1 799 106 106 THR CB C 69.4 0.2 1 800 106 106 THR N N 118.9 0.1 1 801 107 107 PRO HA H 4.43 0.02 1 802 107 107 PRO HB2 H 2.30 0.02 2 803 107 107 PRO HB3 H 2.04 0.02 2 804 107 107 PRO HG2 H 1.90 0.02 2 805 107 107 PRO HG3 H 1.90 0.02 2 806 107 107 PRO C C 176.9 0.2 1 807 107 107 PRO CA C 63.2 0.2 1 808 107 107 PRO CB C 31.9 0.2 1 809 107 107 PRO CD C 51.0 0.2 1 810 107 107 PRO CG C 27.5 0.2 1 811 108 108 THR H H 8.22 0.02 1 812 108 108 THR CA C 62.4 0.2 1 813 108 108 THR CB C 69.4 0.2 1 814 108 108 THR N N 115.3 0.1 1 815 109 109 GLN H H 8.33 0.02 1 816 109 109 GLN HA H 4.27 0.02 1 817 109 109 GLN HB2 H 2.28 0.02 2 818 109 109 GLN HB3 H 2.28 0.02 2 819 109 109 GLN C C 175.5 0.2 1 820 109 109 GLN CA C 55.7 0.2 1 821 109 109 GLN CB C 29.4 0.2 1 822 109 109 GLN CG C 33.5 0.2 1 823 109 109 GLN N N 123.0 0.1 1 824 110 110 HIS H H 8.56 0.02 1 825 110 110 HIS HB2 H 3.19 0.02 2 826 110 110 HIS HB3 H 3.10 0.02 2 827 110 110 HIS C C 174.0 0.2 1 828 110 110 HIS CA C 54.8 0.2 1 829 110 110 HIS CB C 29.0 0.2 1 830 110 110 HIS N N 120.1 0.1 1 831 111 111 HIS H H 8.60 0.02 1 832 111 111 HIS HB2 H 3.17 0.02 2 833 111 111 HIS HB3 H 3.12 0.02 2 834 111 111 HIS C C 173.9 0.2 1 835 111 111 HIS CA C 55.1 0.2 1 836 111 111 HIS CB C 29.1 0.2 1 837 111 111 HIS N N 120.8 0.1 1 838 112 112 GLN H H 8.59 0.02 1 839 112 112 GLN CA C 53.6 0.2 1 840 112 112 GLN CB C 29.0 0.2 1 841 112 112 GLN N N 124.1 0.2 1 842 113 113 PRO HA H 4.39 0.02 1 843 113 113 PRO HB2 H 2.27 0.02 2 844 113 113 PRO HB3 H 1.99 0.02 2 845 113 113 PRO HD2 H 3.72 0.02 2 846 113 113 PRO HD3 H 3.66 0.02 2 847 113 113 PRO HG2 H 1.99 0.02 2 848 113 113 PRO HG3 H 1.88 0.02 2 849 113 113 PRO C C 174.1 0.2 1 850 113 113 PRO CA C 63.2 0.2 1 851 113 113 PRO CB C 31.9 0.2 1 852 113 113 PRO CD C 50.7 0.2 1 853 113 113 PRO CG C 27.2 0.2 1 854 114 114 ASN H H 8.49 0.02 1 855 114 114 ASN HA H 4.61 0.02 1 856 114 114 ASN HB2 H 2.72 0.02 2 857 114 114 ASN HB3 H 2.72 0.02 2 858 114 114 ASN C C 174.6 0.2 1 859 114 114 ASN CA C 53.6 0.2 1 860 114 114 ASN CB C 38.8 0.2 1 861 114 114 ASN N N 119.2 0.1 1 862 115 115 ILE H H 8.05 0.02 1 863 115 115 ILE CA C 58.3 0.2 1 864 115 115 ILE CB C 39.0 0.2 1 865 115 115 ILE N N 123.1 0.1 1 866 117 117 PRO HA H 4.43 0.02 1 867 117 117 PRO HB2 H 2.30 0.02 2 868 117 117 PRO HB3 H 2.04 0.02 2 869 117 117 PRO HG2 H 1.90 0.02 2 870 117 117 PRO HG3 H 1.90 0.02 2 871 117 117 PRO C C 176.9 0.2 1 872 117 117 PRO CA C 63.2 0.2 1 873 117 117 PRO CB C 31.9 0.2 1 874 117 117 PRO CD C 51.0 0.2 1 875 117 117 PRO CG C 27.5 0.2 1 876 118 118 SER H H 8.22 0.02 1 877 118 118 SER HA H 4.32 0.02 1 878 118 118 SER HB2 H 3.82 0.02 2 879 118 118 SER HB3 H 3.82 0.02 2 880 118 118 SER C C 173.3 0.2 1 881 118 118 SER CA C 58.3 0.2 1 882 118 118 SER CB C 63.6 0.2 1 883 118 118 SER N N 115.3 0.1 1 884 119 119 ALA H H 8.29 0.02 1 885 119 119 ALA HA H 4.29 0.02 1 886 119 119 ALA HB H 1.36 0.02 1 887 119 119 ALA C C 177.4 0.2 1 888 119 119 ALA CA C 52.6 0.2 1 889 119 119 ALA CB C 19.4 0.2 1 890 119 119 ALA N N 125.9 0.1 1 891 120 120 GLN H H 8.19 0.02 1 892 120 120 GLN HA H 4.39 0.02 1 893 120 120 GLN CA C 55.4 0.2 1 894 120 120 GLN CB C 29.1 0.2 1 895 120 120 GLN CG C 31.9 0.2 1 896 120 120 GLN N N 119.4 0.1 1 897 121 121 GLN H H 8.32 0.02 1 898 121 121 GLN CB C 29.0 0.2 1 899 121 121 GLN N N 123.0 0.1 1 900 122 122 PRO HA H 4.34 0.02 1 901 122 122 PRO HB2 H 2.29 0.02 2 902 122 122 PRO HB3 H 1.92 0.02 2 903 122 122 PRO HD2 H 3.73 0.02 2 904 122 122 PRO HD3 H 3.73 0.02 2 905 122 122 PRO HG2 H 1.92 0.02 2 906 122 122 PRO HG3 H 1.76 0.02 2 907 122 122 PRO C C 176.3 0.2 1 908 122 122 PRO CA C 63.2 0.2 1 909 122 122 PRO CB C 31.9 0.2 1 910 122 122 PRO CD C 50.7 0.2 1 911 122 122 PRO CG C 27.2 0.2 1 912 123 123 PHE H H 8.19 0.02 1 913 123 123 PHE HA H 4.50 0.02 1 914 123 123 PHE HB2 H 3.03 0.02 2 915 123 123 PHE HB3 H 3.03 0.02 2 916 123 123 PHE C C 175.3 0.2 1 917 123 123 PHE CA C 57.7 0.2 1 918 123 123 PHE CB C 39.4 0.2 1 919 123 123 PHE N N 120.3 0.1 1 920 124 124 GLN CA C 55.4 0.2 1 921 124 124 GLN CB C 29.6 0.2 1 922 124 124 GLN N N 123.0 0.1 1 923 126 126 PRO HA H 4.34 0.02 1 924 126 126 PRO HB2 H 2.21 0.02 2 925 126 126 PRO HB3 H 1.95 0.02 2 926 126 126 PRO HD2 H 3.75 0.02 2 927 126 126 PRO HD3 H 3.64 0.02 2 928 126 126 PRO HG2 H 1.95 0.02 2 929 126 126 PRO HG3 H 1.78 0.02 2 930 126 126 PRO C C 176.3 0.2 1 931 126 126 PRO CA C 63.2 0.2 1 932 126 126 PRO CB C 31.9 0.2 1 933 126 126 PRO CD C 50.7 0.2 1 934 126 126 PRO CG C 27.5 0.2 1 935 127 127 PHE H H 8.22 0.02 1 936 127 127 PHE HA H 4.52 0.02 1 937 127 127 PHE HB2 H 3.03 0.02 2 938 127 127 PHE HB3 H 3.03 0.02 2 939 127 127 PHE C C 175.2 0.2 1 940 127 127 PHE CA C 57.7 0.2 1 941 127 127 PHE CB C 39.6 0.2 1 942 127 127 PHE N N 120.8 0.1 1 943 128 128 GLN H H 8.10 0.02 1 944 128 128 GLN CA C 53.0 0.2 1 945 128 128 GLN CB C 29.6 0.2 1 946 128 128 GLN N N 124.3 0.1 1 947 129 129 PRO HA H 4.29 0.02 1 948 129 129 PRO HB2 H 2.28 0.02 2 949 129 129 PRO HB3 H 1.97 0.02 2 950 129 129 PRO HG2 H 1.97 0.02 2 951 129 129 PRO HG3 H 1.90 0.02 2 952 129 129 PRO C C 176.6 0.2 1 953 129 129 PRO CA C 63.2 0.2 1 954 129 129 PRO CB C 31.9 0.2 1 955 129 129 PRO CD C 50.7 0.2 1 956 129 129 PRO CG C 27.2 0.2 1 957 130 130 GLN H H 8.43 0.02 1 958 130 130 GLN HA H 4.27 0.02 1 959 130 130 GLN C C 175.5 0.2 1 960 130 130 GLN CA C 55.4 0.2 1 961 130 130 GLN CB C 29.3 0.2 1 962 130 130 GLN CG C 33.8 0.2 1 963 130 130 GLN N N 120.4 0.1 1 964 131 131 ALA H H 8.28 0.02 1 965 131 131 ALA HA H 4.27 0.02 1 966 131 131 ALA HB H 1.31 0.02 1 967 131 131 ALA C C 177.1 0.2 1 968 131 131 ALA CA C 52.3 0.2 1 969 131 131 ALA CB C 19.0 0.2 1 970 131 131 ALA N N 126.0 0.1 1 971 132 132 ILE H H 8.14 0.02 1 972 132 132 ILE C C 174.0 0.2 1 973 132 132 ILE CA C 58.3 0.2 1 974 132 132 ILE CB C 38.4 0.2 1 975 132 132 ILE N N 122.5 0.1 1 976 134 134 PRO HA H 4.38 0.02 1 977 134 134 PRO HB2 H 2.27 0.02 2 978 134 134 PRO HB3 H 1.99 0.02 2 979 134 134 PRO HG2 H 1.99 0.02 2 980 134 134 PRO HG3 H 1.85 0.02 2 981 134 134 PRO C C 176.9 0.2 1 982 134 134 PRO CA C 63.2 0.2 1 983 134 134 PRO CB C 31.6 0.2 1 984 134 134 PRO CD C 50.4 0.2 1 985 134 134 PRO CG C 27.2 0.2 1 986 135 135 GLN H H 8.45 0.02 1 987 135 135 GLN HA H 4.27 0.02 1 988 135 135 GLN HB2 H 2.37 0.02 2 989 135 135 GLN HB3 H 2.37 0.02 2 990 135 135 GLN C C 175.9 0.2 1 991 135 135 GLN CA C 55.7 0.2 1 992 135 135 GLN CB C 29.4 0.2 1 993 135 135 GLN CG C 33.8 0.2 1 994 135 135 GLN N N 120.3 0.1 1 995 136 136 SER H H 8.28 0.02 1 996 136 136 SER HA H 4.35 0.02 1 997 136 136 SER HB2 H 3.77 0.02 2 998 136 136 SER HB3 H 3.77 0.02 2 999 136 136 SER C C 174.3 0.2 1 1000 136 136 SER CA C 58.3 0.2 1 1001 136 136 SER CB C 64.2 0.2 1 1002 136 136 SER N N 117.0 0.2 1 1003 137 137 HIS H H 8.52 0.02 1 1004 137 137 HIS C C 174.0 0.2 1 1005 137 137 HIS CA C 55.4 0.2 1 1006 137 137 HIS CB C 29.1 0.2 1 1007 137 137 HIS N N 120.3 0.1 1 1008 138 138 GLN H H 8.41 0.02 1 1009 138 138 GLN CA C 53.6 0.2 1 1010 138 138 GLN CB C 29.0 0.2 1 1011 138 138 GLN N N 123.0 0.1 1 1012 139 139 PRO HA H 4.42 0.02 5 1013 139 139 PRO HB2 H 2.37 0.02 5 1014 139 139 PRO HB3 H 2.03 0.02 5 1015 139 139 PRO HG2 H 2.03 0.02 5 1016 139 139 PRO HG3 H 1.89 0.02 2 1017 139 139 PRO C C 176.8 0.2 5 1018 139 139 PRO CA C 63.2 0.2 5 1019 139 139 PRO CB C 31.9 0.2 1 1020 139 139 PRO CD C 50.7 0.2 1 1021 139 139 PRO CG C 27.6 0.2 5 1022 140 140 MET H H 8.42 0.02 5 1023 140 140 MET CA C 55.4 0.2 1 1024 140 140 MET CB C 32.5 0.2 5 1025 140 140 MET N N 121.0 0.2 5 1026 141 141 GLN H H 8.32 0.02 5 1027 141 141 GLN CA C 53.6 0.2 5 1028 141 141 GLN CB C 29.6 0.2 5 1029 141 141 GLN N N 123.0 0.1 5 1030 142 142 PRO HA H 4.39 0.02 1 1031 142 142 PRO HB2 H 2.27 0.02 2 1032 142 142 PRO HB3 H 1.97 0.02 2 1033 142 142 PRO HG2 H 1.97 0.02 2 1034 142 142 PRO HG3 H 1.88 0.02 2 1035 142 142 PRO C C 176.6 0.2 1 1036 142 142 PRO CA C 63.2 0.2 1 1037 142 142 PRO CB C 31.9 0.2 1 1038 142 142 PRO CD C 50.7 0.2 1 1039 142 142 PRO CG C 27.5 0.2 1 1040 143 143 GLN H H 8.49 0.02 1 1041 143 143 GLN C C 175.8 0.2 1 1042 143 143 GLN CA C 55.7 0.2 1 1043 143 143 GLN CB C 29.4 0.2 1 1044 143 143 GLN CG C 33.8 0.2 1 1045 143 143 GLN N N 120.9 0.1 1 1046 144 144 SER H H 8.37 0.02 1 1047 144 144 SER CA C 56.0 0.2 1 1048 144 144 SER CB C 63.6 0.2 1 1049 144 144 SER N N 118.7 0.1 1 1050 145 145 PRO HA H 4.39 0.02 1 1051 145 145 PRO HB2 H 2.25 0.02 2 1052 145 145 PRO HB3 H 1.97 0.02 2 1053 145 145 PRO HG2 H 1.97 0.02 2 1054 145 145 PRO HG3 H 1.81 0.02 2 1055 145 145 PRO C C 176.5 0.2 1 1056 145 145 PRO CA C 63.6 0.2 1 1057 145 145 PRO CB C 31.9 0.2 1 1058 145 145 PRO CD C 50.7 0.2 1 1059 145 145 PRO CG C 27.2 0.2 1 1060 146 146 LEU H H 8.13 0.02 1 1061 146 146 LEU HA H 4.18 0.02 1 1062 146 146 LEU HB2 H 1.50 0.02 2 1063 146 146 LEU HB3 H 1.36 0.02 2 1064 146 146 LEU HD1 H 0.82 0.02 2 1065 146 146 LEU HD2 H 0.82 0.02 2 1066 146 146 LEU HG H 1.36 0.02 1 1067 146 146 LEU C C 176.8 0.2 1 1068 146 146 LEU CA C 55.4 0.2 1 1069 146 146 LEU CB C 42.2 0.2 1 1070 146 146 LEU CD1 C 24.7 0.2 2 1071 146 146 LEU CD2 C 23.4 0.2 2 1072 146 146 LEU CG C 26.9 0.2 1 1073 146 146 LEU N N 121.4 0.1 1 1074 147 147 HIS H H 8.25 0.02 1 1075 147 147 HIS CA C 53.0 0.2 1 1076 147 147 HIS CB C 28.4 0.2 1 1077 147 147 HIS N N 118.5 0.1 1 1078 148 148 PRO HA H 4.43 0.02 5 1079 148 148 PRO HB2 H 2.29 0.02 5 1080 148 148 PRO HB3 H 2.04 0.02 5 1081 148 148 PRO HG2 H 2.04 0.02 5 1082 148 148 PRO HG3 H 1.89 0.02 2 1083 148 148 PRO C C 176.6 0.2 5 1084 148 148 PRO CA C 62.8 0.2 5 1085 148 148 PRO CB C 31.9 0.2 1 1086 148 148 PRO CD C 50.7 0.2 1 1087 148 148 PRO CG C 27.3 0.2 5 1088 149 149 MET H H 8.43 0.02 5 1089 149 149 MET C C 175.9 0.2 1 1090 149 149 MET CA C 55.4 0.2 1 1091 149 149 MET CB C 31.9 0.2 5 1092 149 149 MET N N 121.0 0.1 5 1093 150 150 GLN H H 8.37 0.02 5 1094 150 150 GLN CA C 58.6 0.2 5 1095 150 150 GLN CB C 29.0 0.2 5 1096 150 150 GLN N N 123.1 0.1 5 1097 151 151 PRO HA H 4.43 0.02 1 1098 151 151 PRO HB2 H 2.25 0.02 2 1099 151 151 PRO HB3 H 2.01 0.02 2 1100 151 151 PRO HG2 H 2.01 0.02 2 1101 151 151 PRO HG3 H 1.82 0.02 2 1102 151 151 PRO C C 176.5 0.2 1 1103 151 151 PRO CA C 63.2 0.2 1 1104 151 151 PRO CB C 31.9 0.2 1 1105 151 151 PRO CD C 50.7 0.2 1 1106 151 151 PRO CG C 27.6 0.2 1 1107 152 152 LEU H H 8.28 0.02 1 1108 152 152 LEU HA H 4.27 0.02 1 1109 152 152 LEU HB2 H 1.57 0.02 4 1110 152 152 LEU HB3 H 1.57 0.02 4 1111 152 152 LEU HD1 H 0.87 0.02 2 1112 152 152 LEU HD2 H 0.87 0.02 2 1113 152 152 LEU HG H 1.57 0.02 4 1114 152 152 LEU C C 176.8 0.2 1 1115 152 152 LEU CA C 54.8 0.2 1 1116 152 152 LEU CB C 42.6 0.2 1 1117 152 152 LEU CD1 C 24.7 0.2 2 1118 152 152 LEU CD2 C 23.4 0.2 2 1119 152 152 LEU CG C 26.9 0.2 1 1120 152 152 LEU N N 122.7 0.1 1 1121 153 153 ALA H H 8.21 0.02 1 1122 153 153 ALA CA C 50.1 0.2 1 1123 153 153 ALA CB C 18.5 0.2 1 1124 153 153 ALA N N 126.5 0.1 1 1125 154 154 PRO HA H 4.40 0.02 1 1126 154 154 PRO HB2 H 2.27 0.02 2 1127 154 154 PRO HB3 H 2.01 0.02 2 1128 154 154 PRO HG2 H 2.01 0.02 2 1129 154 154 PRO HG3 H 1.87 0.02 2 1130 154 154 PRO C C 176.6 0.2 1 1131 154 154 PRO CA C 63.0 0.2 1 1132 154 154 PRO CB C 31.9 0.2 1 1133 154 154 PRO CG C 27.3 0.2 1 1134 155 155 GLN H H 8.39 0.02 1 1135 155 155 GLN CA C 53.6 0.2 1 1136 155 155 GLN CB C 29.0 0.2 1 1137 155 155 GLN N N 122.0 0.1 1 1138 157 157 PRO HA H 4.39 0.02 5 1139 157 157 PRO HB2 H 2.23 0.02 2 1140 157 157 PRO HB3 H 1.99 0.02 2 1141 157 157 PRO HG2 H 1.99 0.02 2 1142 157 157 PRO HG3 H 1.85 0.02 5 1143 157 157 PRO C C 176.5 0.2 1 1144 157 157 PRO CA C 62.6 0.2 5 1145 157 157 PRO CB C 31.6 0.2 5 1146 157 157 PRO CD C 50.4 0.2 5 1147 157 157 PRO CG C 27.2 0.2 1 1148 158 158 LEU H H 8.19 0.2 5 1149 158 158 LEU CA C 53.0 0.2 1 1150 158 158 LEU CB C 41.9 0.2 5 1151 158 158 LEU N N 123.7 0.2 5 1152 160 160 PRO CA C 63.2 0.2 1 1153 160 160 PRO CB C 31.9 0.2 1 1154 161 161 LEU H H 8.15 0.02 1 1155 161 161 LEU HA H 4.20 0.02 1 1156 161 161 LEU HB2 H 1.52 0.02 4 1157 161 161 LEU HB3 H 1.41 0.02 4 1158 161 161 LEU HD1 H 0.82 0.02 2 1159 161 161 LEU HD2 H 0.82 0.02 2 1160 161 161 LEU HG H 1.41 0.02 4 1161 161 161 LEU C C 177.1 0.2 1 1162 161 161 LEU CA C 55.4 0.2 1 1163 161 161 LEU CB C 42.6 0.2 1 1164 161 161 LEU CD1 C 24.7 0.2 2 1165 161 161 LEU CD2 C 24.7 0.2 2 1166 161 161 LEU CG C 26.9 0.2 1 1167 161 161 LEU N N 121.7 0.1 1 1168 162 162 PHE H H 8.07 0.02 1 1169 162 162 PHE HA H 4.19 0.02 1 1170 162 162 PHE HB2 H 3.07 0.02 2 1171 162 162 PHE HB3 H 3.03 0.02 2 1172 162 162 PHE C C 175.5 0.2 1 1173 162 162 PHE CA C 57.7 0.2 1 1174 162 162 PHE CB C 39.7 0.2 1 1175 162 162 PHE N N 120.2 0.2 1 1176 163 163 SER H H 8.05 0.02 1 1177 163 163 SER CA C 57.7 0.2 1 1178 163 163 SER CB C 63.6 0.2 1 1179 163 163 SER N N 116.9 0.1 1 1180 164 164 MET H H 8.22 0.02 1 1181 164 164 MET CA C 55.4 0.2 1 1182 164 164 MET CB C 33.1 0.2 1 1183 164 164 MET N N 122.2 0.1 1 1184 166 166 PRO HA H 4.38 0.02 1 1185 166 166 PRO HB2 H 2.25 0.02 2 1186 166 166 PRO HB3 H 1.97 0.02 2 1187 166 166 PRO HG2 H 1.97 0.02 2 1188 166 166 PRO HG3 H 1.88 0.02 2 1189 166 166 PRO C C 176.6 0.2 1 1190 166 166 PRO CA C 63.6 0.2 1 1191 166 166 PRO CB C 31.9 0.2 1 1192 166 166 PRO CD C 50.7 0.2 1 1193 166 166 PRO CG C 27.5 0.2 1 1194 167 167 LEU H H 8.32 0.02 1 1195 167 167 LEU HA H 4.29 0.02 1 1196 167 167 LEU HB2 H 1.62 0.02 4 1197 167 167 LEU HB3 H 1.53 0.02 4 1198 167 167 LEU HD1 H 0.87 0.02 2 1199 167 167 LEU HD2 H 0.87 0.02 2 1200 167 167 LEU HG H 1.53 0.02 4 1201 167 167 LEU C C 177.2 0.2 1 1202 167 167 LEU CA C 55.1 0.2 1 1203 167 167 LEU CB C 42.2 0.2 1 1204 167 167 LEU CD1 C 24.7 0.2 2 1205 167 167 LEU CD2 C 23.4 0.2 2 1206 167 167 LEU CG C 26.9 0.2 1 1207 167 167 LEU N N 122.4 0.1 1 1208 168 168 SER H H 8.17 0.02 1 1209 168 168 SER C C 176.3 0.2 1 1210 168 168 SER CA C 56.0 0.2 1 1211 168 168 SER CB C 63.6 0.2 1 1212 168 168 SER N N 117.8 0.1 1 1213 169 169 PRO CA C 63.2 0.2 1 1214 169 169 PRO CB C 31.9 0.2 1 1215 169 169 PRO CD C 51.0 0.2 1 1216 169 169 PRO CG C 29.0 0.2 1 1217 170 170 ILE H H 8.10 0.02 1 1218 170 170 ILE HA H 4.08 0.02 1 1219 170 170 ILE HB H 1.78 0.02 1 1220 170 170 ILE HD1 H 0.87 0.02 4 1221 170 170 ILE HG12 H 1.48 0.02 2 1222 170 170 ILE HG13 H 1.13 0.02 2 1223 170 170 ILE HG2 H 0.87 0.02 4 1224 170 170 ILE C C 175.9 0.2 1 1225 170 170 ILE CA C 61.0 0.2 1 1226 170 170 ILE CB C 38.5 0.2 1 1227 170 170 ILE CG1 C 27.2 0.2 1 1228 170 170 ILE CG2 C 17.5 0.2 1 1229 170 170 ILE N N 121.0 0.1 1 1230 171 171 LEU H H 8.21 0.02 1 1231 171 171 LEU CA C 52.4 0.2 1 1232 171 171 LEU CB C 41.9 0.2 1 1233 171 171 LEU N N 128.3 0.1 1 1234 172 172 PRO HA H 4.36 0.02 1 1235 172 172 PRO HB2 H 2.23 0.02 2 1236 172 172 PRO HB3 H 1.97 0.02 2 1237 172 172 PRO HG2 H 1.97 0.02 2 1238 172 172 PRO HG3 H 1.83 0.02 2 1239 172 172 PRO C C 176.5 0.2 1 1240 172 172 PRO CA C 63.2 0.2 1 1241 172 172 PRO CB C 31.9 0.2 1 1242 172 172 PRO CD C 50.4 0.2 1 1243 172 172 PRO CG C 27.2 0.2 1 1244 173 173 GLU H H 8.25 0.02 1 1245 173 173 GLU HA H 4.34 0.02 1 1246 173 173 GLU C C 175.6 0.2 1 1247 173 173 GLU CA C 55.4 0.2 1 1248 173 173 GLU CB C 28.8 0.2 1 1249 173 173 GLU CG C 32.5 0.2 1 1250 173 173 GLU N N 120.3 0.1 1 1251 174 174 LEU H H 8.19 0.02 1 1252 174 174 LEU CA C 53.0 0.2 1 1253 174 174 LEU CB C 41.9 0.2 1 1254 174 174 LEU N N 125.0 0.1 1 1255 175 175 PRO HA H 4.36 0.02 1 1256 175 175 PRO HB2 H 2.23 0.02 2 1257 175 175 PRO HB3 H 1.97 0.02 2 1258 175 175 PRO HG2 H 1.97 0.02 2 1259 175 175 PRO HG3 H 1.85 0.02 2 1260 175 175 PRO C C 176.6 0.2 1 1261 175 175 PRO CA C 63.6 0.2 1 1262 175 175 PRO CB C 31.9 0.2 1 1263 175 175 PRO CD C 50.7 0.2 1 1264 175 175 PRO CG C 27.2 0.2 1 1265 176 176 LEU HA H 4.15 0.02 1 1266 176 176 LEU HB2 H 1.55 0.02 4 1267 176 176 LEU HB3 H 1.50 0.02 4 1268 176 176 LEU HD1 H 0.83 0.02 2 1269 176 176 LEU HD2 H 0.83 0.02 2 1270 176 176 LEU HG H 1.50 0.02 4 1271 176 176 LEU C C 177.4 0.2 1 1272 176 176 LEU CA C 55.4 0.2 1 1273 176 176 LEU CB C 42.2 0.2 1 1274 176 176 LEU CD1 C 24.7 0.2 2 1275 176 176 LEU CD2 C 23.7 0.2 2 1276 176 176 LEU CG C 26.9 0.2 1 1277 177 177 GLU H H 8.13 0.02 1 1278 177 177 GLU HA H 4.22 0.02 1 1279 177 177 GLU C C 175.0 0.2 1 1280 177 177 GLU CA C 55.7 0.2 1 1281 177 177 GLU CB C 28.8 0.2 1 1282 177 177 GLU CG C 32.5 0.2 1 1283 177 177 GLU N N 120.3 0.1 1 1284 178 178 ALA H H 8.03 0.02 1 1285 178 178 ALA HA H 4.22 0.02 1 1286 178 178 ALA HB H 1.22 0.02 1 1287 178 178 ALA C C 176.8 0.2 1 1288 178 178 ALA CA C 52.0 0.2 1 1289 178 178 ALA CB C 19.4 0.2 1 1290 178 178 ALA N N 124.8 0.1 1 1291 179 179 TRP H H 8.03 0.02 1 1292 179 179 TRP CA C 54.8 0.2 1 1293 179 179 TRP CB C 29.0 0.2 1 1294 179 179 TRP N N 121.0 0.1 1 1295 180 180 PRO HA H 4.39 0.02 1 1296 180 180 PRO HB2 H 2.28 0.02 2 1297 180 180 PRO HB3 H 1.92 0.02 2 1298 180 180 PRO HG2 H 1.92 0.02 2 1299 180 180 PRO HG3 H 1.92 0.02 2 1300 180 180 PRO C C 176.8 0.2 1 1301 180 180 PRO CA C 63.6 0.2 1 1302 180 180 PRO CB C 31.9 0.2 1 1303 180 180 PRO CD C 50.7 0.2 1 1304 180 180 PRO CG C 27.5 0.2 1 1305 181 181 ALA H H 8.38 0.02 1 1306 181 181 ALA HA H 4.32 0.02 1 1307 181 181 ALA HB H 1.41 0.02 1 1308 181 181 ALA C C 178.1 0.2 1 1309 181 181 ALA CA C 52.9 0.2 1 1310 181 181 ALA CB C 19.0 0.2 1 1311 181 181 ALA N N 124.5 0.2 1 1312 182 182 THR H H 7.97 0.02 1 1313 182 182 THR HG2 H 1.20 0.02 1 1314 182 182 THR C C 174.6 0.2 1 1315 182 182 THR CA C 61.8 0.2 1 1316 182 182 THR CB C 69.8 0.2 1 1317 182 182 THR N N 111.5 0.1 1 1318 183 183 ASP H H 8.28 0.02 1 1319 183 183 ASP C C 176.1 0.2 1 1320 183 183 ASP CA C 56.0 0.2 1 1321 183 183 ASP CB C 43.2 0.2 1 1322 183 183 ASP N N 121.3 0.1 1 1323 184 184 LYS H H 8.29 0.02 1 1324 184 184 LYS HA H 4.29 0.02 1 1325 184 184 LYS HB2 H 1.88 0.02 4 1326 184 184 LYS HB3 H 1.76 0.02 4 1327 184 184 LYS HD2 H 1.62 0.02 4 1328 184 184 LYS HD3 H 1.62 0.02 4 1329 184 184 LYS HE2 H 2.97 0.02 2 1330 184 184 LYS HE3 H 2.97 0.02 2 1331 184 184 LYS HG2 H 1.43 0.02 2 1332 184 184 LYS HG3 H 1.43 0.02 2 1333 184 184 LYS C C 176.9 0.2 1 1334 184 184 LYS CA C 57.0 0.2 1 1335 184 184 LYS CB C 32.5 0.2 1 1336 184 184 LYS N N 121.8 0.1 1 1337 185 185 THR H H 7.98 0.02 1 1338 185 185 THR HG2 H 1.17 0.02 1 1339 185 185 THR C C 174.4 0.2 1 1340 185 185 THR CA C 62.4 0.2 1 1341 185 185 THR CB C 69.4 0.2 1 1342 185 185 THR N N 114.1 0.1 1 1343 186 186 LYS H H 8.12 0.02 1 1344 186 186 LYS HA H 4.29 0.02 1 1345 186 186 LYS HB2 H 1.80 0.02 2 1346 186 186 LYS HB3 H 1.77 0.02 2 1347 186 186 LYS CA C 56.3 0.2 1 1348 186 186 LYS CB C 32.6 0.2 1 1349 186 186 LYS CD C 29.4 0.2 1 1350 186 186 LYS CG C 24.4 0.2 1 1351 186 186 LYS N N 123.6 0.1 1 1352 187 187 ARG H H 8.23 0.02 1 1353 187 187 ARG C C 175.8 0.2 1 1354 187 187 ARG CA C 55.7 0.2 1 1355 187 187 ARG CB C 30.7 0.2 1 1356 187 187 ARG CG C 27.2 0.2 1 1357 187 187 ARG N N 122.5 0.1 1 1358 188 188 GLU H H 8.29 0.02 1 1359 188 188 GLU CA C 56.0 0.2 1 1360 188 188 GLU CB C 29.0 0.2 1 1361 188 188 GLU N N 121.6 0.1 1 1362 189 189 GLU HA H 4.36 0.02 1 1363 189 189 GLU C C 175.5 0.2 1 1364 189 189 GLU CA C 55.7 0.2 1 1365 189 189 GLU CB C 29.1 0.2 1 1366 189 189 GLU CG C 32.8 0.2 1 1367 190 190 VAL H H 8.16 0.02 1 1368 190 190 VAL HA H 4.13 0.02 1 1369 190 190 VAL HG1 H 0.92 0.02 2 1370 190 190 VAL HG2 H 0.92 0.02 2 1371 190 190 VAL C C 175.3 0.2 1 1372 190 190 VAL CA C 62.6 0.2 1 1373 190 190 VAL CB C 32.5 0.2 1 1374 190 190 VAL CG1 C 20.6 0.2 2 1375 190 190 VAL CG2 C 20.6 0.2 2 1376 190 190 VAL N N 121.2 0.1 1 1377 191 191 ASP H H 8.32 0.02 1 1378 191 191 ASP CA C 53.0 0.2 1 1379 191 191 ASP CB C 39.0 0.2 1 1380 191 191 ASP N N 124.4 0.1 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 85 1138 '89,1142' '91,1144' '92,1145' '93,1146' '95,1148' '97,1150' '98,1151' '1014,1080' '1015,1081' '1016,1082' '1017,1083' '1019,1085' '1020,1086' '1023,1089' '1024,1090' '1026,1093' '1027,1094' '1028,1095' '1029,1096' '1030,1097' '1031,1098' '179,180,183' '223,224,227' '250,251,254' '420,421,424' '494,495,498' '573,574,577' '1111,1111,1115' '1156,1157,1160' '1196,1197,1200' '1266,1267,1270' '1325,1326,1327,1328' '456,456,456,459,459,459' '1220,1220,1220,1223,1223,1223' stop_ save_