data_6864 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments of a repeat domain of the egg case silk from Nephila antipodiana ; _BMRB_accession_number 6864 _BMRB_flat_file_name bmr6864.str _Entry_type original _Submission_date 2005-10-16 _Accession_date 2005-10-17 _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 Lin Zhi . . 2 Huang Weidong . . 3 Yang Daiwen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 707 "13C chemical shifts" 408 "15N chemical shifts" 169 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-08 update BMRB 'complete entry citation' 2006-04-24 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Resonance Assignments of a Repeated Domain of the Egg Case Silk from Nephila Antipodiana ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16601859 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lin Zhi . . 2 Huang Weidong . . 3 Yang Daiwen . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 17 _Page_last 17 _Year 2006 _Details . loop_ _Keyword 'egg case silk' 'NMR Assignment' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name tusp1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label tu81d5 $tu81d5 stop_ _System_molecular_weight 15144 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_tu81d5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common tu81d5 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 162 _Mol_residue_sequence ; GSSGATSQAASQSASSSYSS AFAQAASSALATSSAISRAF ASVSSASAASSLAYNIGLSA ARSLGIASDTALAGALAQAV GGVGAGASASAYANAIARAA GQFLATQGVLNAGNASALAG SFARALSASAESQSFAQSQA YQQASAFQQAAAQSAAQSAS RA ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 ALA 6 THR 7 SER 8 GLN 9 ALA 10 ALA 11 SER 12 GLN 13 SER 14 ALA 15 SER 16 SER 17 SER 18 TYR 19 SER 20 SER 21 ALA 22 PHE 23 ALA 24 GLN 25 ALA 26 ALA 27 SER 28 SER 29 ALA 30 LEU 31 ALA 32 THR 33 SER 34 SER 35 ALA 36 ILE 37 SER 38 ARG 39 ALA 40 PHE 41 ALA 42 SER 43 VAL 44 SER 45 SER 46 ALA 47 SER 48 ALA 49 ALA 50 SER 51 SER 52 LEU 53 ALA 54 TYR 55 ASN 56 ILE 57 GLY 58 LEU 59 SER 60 ALA 61 ALA 62 ARG 63 SER 64 LEU 65 GLY 66 ILE 67 ALA 68 SER 69 ASP 70 THR 71 ALA 72 LEU 73 ALA 74 GLY 75 ALA 76 LEU 77 ALA 78 GLN 79 ALA 80 VAL 81 GLY 82 GLY 83 VAL 84 GLY 85 ALA 86 GLY 87 ALA 88 SER 89 ALA 90 SER 91 ALA 92 TYR 93 ALA 94 ASN 95 ALA 96 ILE 97 ALA 98 ARG 99 ALA 100 ALA 101 GLY 102 GLN 103 PHE 104 LEU 105 ALA 106 THR 107 GLN 108 GLY 109 VAL 110 LEU 111 ASN 112 ALA 113 GLY 114 ASN 115 ALA 116 SER 117 ALA 118 LEU 119 ALA 120 GLY 121 SER 122 PHE 123 ALA 124 ARG 125 ALA 126 LEU 127 SER 128 ALA 129 SER 130 ALA 131 GLU 132 SER 133 GLN 134 SER 135 PHE 136 ALA 137 GLN 138 SER 139 GLN 140 ALA 141 TYR 142 GLN 143 GLN 144 ALA 145 SER 146 ALA 147 PHE 148 GLN 149 GLN 150 ALA 151 ALA 152 ALA 153 GLN 154 SER 155 ALA 156 ALA 157 GLN 158 SER 159 ALA 160 SER 161 ARG 162 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 2K3N "Solution Structure Of The Type 1 Repetitive Domain (Tusp1- Rp1) Of The Egg Case Silk From Nephila Antipodiana" 98.77 160 100.00 100.00 9.24e-87 GB ACI23395 "eggcase silk protein [Nephila antipodiana]" 56.79 343 100.00 100.00 1.71e-34 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $tu81d5 'golden web spider' 6893 Eukaryota Metazoa Arachnida araneae 'Class: Arachnida. Order: Araneae, and its Taxonomy ID: 6893.' 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 $tu81d5 'recombinant technology' . . . . . 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 $tu81d5 1.0 mM '[U-99% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRView _Version 5_2_2 loop_ _Vendor _Address _Electronic_address 'One Moon Scientific, Inc' 'Westfield, NJ, USA' . stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label . save_ save_1H13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 1H13C_HSQC _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_H(CCCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCCO)NH _Sample_label . save_ save_CC(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CC(CO)NH _Sample_label . save_ save_3D_1H15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_1H15N_NOESY _Sample_label . save_ save_3D_1H13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_1H13C_NOESY _Sample_label . save_ save_HSQC_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC_TOCSY _Sample_label . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 pH temperature 303 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name tu81d5 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 SER HA H 4.416 0.01 1 2 2 2 SER HB2 H 3.746 0.01 2 3 2 2 SER CA C 57.510 0.2 1 4 2 2 SER CB C 63.129 0.2 1 5 3 3 SER H H 8.485 0.01 1 6 3 3 SER HA H 4.354 0.01 1 7 3 3 SER HB2 H 3.758 0.01 1 8 3 3 SER HB3 H 3.758 0.01 1 9 3 3 SER CA C 57.773 0.2 1 10 3 3 SER CB C 63.020 0.2 1 11 3 3 SER N N 118.270 0.1 1 12 4 4 GLY H H 8.339 0.01 1 13 4 4 GLY HA2 H 3.826 0.01 1 14 4 4 GLY HA3 H 3.826 0.01 1 15 4 4 GLY CA C 44.411 0.2 1 16 4 4 GLY N N 110.966 0.1 1 17 5 5 ALA H H 8.099 0.01 1 18 5 5 ALA HA H 4.230 0.01 1 19 5 5 ALA HB H 1.250 0.01 1 20 5 5 ALA CA C 51.891 0.2 1 21 5 5 ALA CB C 18.461 0.2 1 22 5 5 ALA N N 123.918 0.1 1 23 6 6 THR H H 8.090 0.01 1 24 6 6 THR HA H 4.214 0.01 1 25 6 6 THR HB H 4.121 0.01 1 26 6 6 THR HG2 H 1.064 0.01 1 27 6 6 THR CA C 61.153 0.2 1 28 6 6 THR CB C 69.020 0.2 1 29 6 6 THR CG2 C 20.761 0.2 1 30 6 6 THR N N 113.266 0.1 1 31 7 7 SER H H 8.201 0.01 1 32 7 7 SER HA H 4.297 0.01 1 33 7 7 SER HB2 H 3.746 0.01 1 34 7 7 SER HB3 H 3.746 0.01 1 35 7 7 SER CA C 57.659 0.2 1 36 7 7 SER CB C 62.949 0.2 1 37 7 7 SER N N 118.057 0.1 1 38 8 8 GLN H H 8.329 0.01 1 39 8 8 GLN HA H 4.162 0.01 1 40 8 8 GLN HB2 H 1.828 0.01 2 41 8 8 GLN HB3 H 1.964 0.01 2 42 8 8 GLN HG2 H 2.205 0.01 2 43 8 8 GLN HG3 H 2.210 0.01 2 44 8 8 GLN CA C 55.323 0.2 1 45 8 8 GLN CB C 28.511 0.2 1 46 8 8 GLN CG C 32.972 0.2 1 47 8 8 GLN N N 122.544 0.1 1 48 9 9 ALA H H 8.175 0.01 1 49 9 9 ALA HA H 4.096 0.01 1 50 9 9 ALA HB H 1.233 0.01 1 51 9 9 ALA CA C 52.065 0.2 1 52 9 9 ALA CB C 18.204 0.2 1 53 9 9 ALA N N 125.038 0.1 1 54 10 10 ALA H H 8.174 0.01 1 55 10 10 ALA HA H 4.142 0.01 1 56 10 10 ALA HB H 1.260 0.01 1 57 10 10 ALA CA C 52.016 0.2 1 58 10 10 ALA CB C 18.192 0.2 1 59 10 10 ALA N N 123.182 0.1 1 60 11 11 SER H H 8.116 0.01 1 61 11 11 SER HA H 4.241 0.01 1 62 11 11 SER HB2 H 3.740 0.01 1 63 11 11 SER HB3 H 3.740 0.01 1 64 11 11 SER CA C 57.910 0.2 1 65 11 11 SER CB C 62.852 0.2 1 66 11 11 SER N N 114.862 0.1 1 67 12 12 GLN H H 8.268 0.01 1 68 12 12 GLN HA H 4.192 0.01 1 69 12 12 GLN HB2 H 1.852 0.01 2 70 12 12 GLN HB3 H 1.982 0.01 2 71 12 12 GLN HG2 H 2.221 0.01 1 72 12 12 GLN HG3 H 2.221 0.01 1 73 12 12 GLN CA C 55.504 0.2 1 74 12 12 GLN CB C 28.464 0.2 1 75 12 12 GLN CG C 32.998 0.2 1 76 12 12 GLN N N 122.222 0.1 1 77 13 13 SER H H 8.198 0.01 1 78 13 13 SER HA H 4.240 0.01 1 79 13 13 SER HB2 H 3.721 0.01 2 80 13 13 SER HB3 H 3.749 0.01 2 81 13 13 SER CA C 57.920 0.2 1 82 13 13 SER CB C 62.897 0.2 1 83 13 13 SER N N 116.691 0.1 1 84 14 14 ALA H H 8.260 0.01 1 85 14 14 ALA HA H 4.078 0.01 1 86 14 14 ALA HB H 1.252 0.01 1 87 14 14 ALA CA C 52.656 0.2 1 88 14 14 ALA CB C 17.931 0.2 1 89 14 14 ALA N N 126.179 0.1 1 90 15 15 SER H H 8.099 0.01 1 91 15 15 SER HA H 3.961 0.01 1 92 15 15 SER HB2 H 3.682 0.01 2 93 15 15 SER HB3 H 3.700 0.01 2 94 15 15 SER CA C 58.693 0.2 1 95 15 15 SER CB C 62.576 0.2 1 96 15 15 SER N N 113.834 0.1 1 97 16 16 SER H H 7.960 0.01 1 98 16 16 SER HA H 4.165 0.01 1 99 16 16 SER HB2 H 3.690 0.01 1 100 16 16 SER HB3 H 3.690 0.01 1 101 16 16 SER CA C 58.727 0.2 1 102 16 16 SER CB C 62.571 0.2 1 103 16 16 SER N N 117.194 0.1 1 104 17 17 SER H H 8.015 0.01 1 105 17 17 SER HA H 4.184 0.01 1 106 17 17 SER HB2 H 3.703 0.01 1 107 17 17 SER HB3 H 3.703 0.01 1 108 17 17 SER CA C 58.960 0.2 1 109 17 17 SER CB C 62.208 0.2 1 110 17 17 SER N N 118.054 0.1 1 111 18 18 TYR H H 7.570 0.01 1 112 18 18 TYR HA H 4.504 0.01 1 113 18 18 TYR HB2 H 2.714 0.01 2 114 18 18 TYR HB3 H 2.940 0.01 2 115 18 18 TYR HD1 H 6.789 0.01 1 116 18 18 TYR HD2 H 6.789 0.01 1 117 18 18 TYR HE1 H 6.648 0.01 1 118 18 18 TYR HE2 H 6.648 0.01 1 119 18 18 TYR CA C 57.590 0.2 1 120 18 18 TYR CB C 36.650 0.2 1 121 18 18 TYR CD1 C 131.992 0.2 1 122 18 18 TYR CD2 C 131.992 0.2 1 123 18 18 TYR CE1 C 117.681 0.2 1 124 18 18 TYR CE2 C 117.681 0.2 1 125 18 18 TYR N N 121.296 0.1 1 126 19 19 SER H H 7.962 0.01 1 127 19 19 SER HA H 3.806 0.01 1 128 19 19 SER HB2 H 3.524 0.01 2 129 19 19 SER HB3 H 3.620 0.01 2 130 19 19 SER CA C 60.750 0.2 1 131 19 19 SER CB C 61.428 0.2 1 132 19 19 SER N N 115.947 0.1 1 133 20 20 SER H H 7.881 0.01 1 134 20 20 SER HA H 4.200 0.01 1 135 20 20 SER HB2 H 3.820 0.01 2 136 20 20 SER HB3 H 3.840 0.01 2 137 20 20 SER CA C 60.719 0.2 1 138 20 20 SER CB C 61.600 0.2 1 139 20 20 SER N N 117.429 0.1 1 140 21 21 ALA H H 7.904 0.01 1 141 21 21 ALA HA H 4.050 0.01 1 142 21 21 ALA HB H 1.430 0.01 1 143 21 21 ALA CA C 54.481 0.2 1 144 21 21 ALA CB C 17.293 0.2 1 145 21 21 ALA N N 125.303 0.1 1 146 22 22 PHE H H 8.305 0.01 1 147 22 22 PHE HA H 3.906 0.01 1 148 22 22 PHE HB2 H 3.030 0.01 2 149 22 22 PHE HB3 H 3.236 0.01 2 150 22 22 PHE HD1 H 7.050 0.01 1 151 22 22 PHE HD2 H 7.050 0.01 1 152 22 22 PHE CA C 59.886 0.2 1 153 22 22 PHE CB C 39.057 0.2 1 154 22 22 PHE N N 118.975 0.1 1 155 23 23 ALA H H 8.702 0.01 1 156 23 23 ALA HA H 3.739 0.01 1 157 23 23 ALA HB H 1.457 0.01 1 158 23 23 ALA CA C 54.619 0.2 1 159 23 23 ALA CB C 17.168 0.2 1 160 23 23 ALA N N 121.916 0.1 1 161 24 24 GLN H H 8.384 0.01 1 162 24 24 GLN HA H 3.840 0.01 1 163 24 24 GLN HB2 H 1.960 0.01 2 164 24 24 GLN HB3 H 1.980 0.01 2 165 24 24 GLN HG2 H 2.346 0.01 2 166 24 24 GLN HG3 H 2.239 0.01 2 167 24 24 GLN HE21 H 7.262 0.01 2 168 24 24 GLN HE22 H 6.728 0.01 2 169 24 24 GLN CA C 58.320 0.2 1 170 24 24 GLN CB C 27.811 0.2 1 171 24 24 GLN CG C 33.048 0.2 1 172 24 24 GLN N N 118.620 0.1 1 173 24 24 GLN NE2 N 111.929 0.1 1 174 25 25 ALA H H 7.239 0.01 1 175 25 25 ALA HA H 4.019 0.01 1 176 25 25 ALA HB H 1.208 0.01 1 177 25 25 ALA CA C 53.791 0.2 1 178 25 25 ALA CB C 17.518 0.2 1 179 25 25 ALA N N 121.077 0.1 1 180 26 26 ALA H H 8.885 0.01 1 181 26 26 ALA HA H 3.749 0.01 1 182 26 26 ALA HB H 0.934 0.01 1 183 26 26 ALA CA C 53.947 0.2 1 184 26 26 ALA CB C 16.580 0.2 1 185 26 26 ALA N N 120.522 0.1 1 186 27 27 SER H H 8.480 0.01 1 187 27 27 SER HA H 3.680 0.01 1 188 27 27 SER HB2 H 3.800 0.01 2 189 27 27 SER HB3 H 3.798 0.01 2 190 27 27 SER CA C 61.600 0.2 1 191 27 27 SER CB C 61.750 0.2 1 192 27 27 SER N N 113.717 0.1 1 193 28 28 SER H H 7.377 0.01 1 194 28 28 SER HA H 4.028 0.01 1 195 28 28 SER HB2 H 3.770 0.01 2 196 28 28 SER HB3 H 3.780 0.01 2 197 28 28 SER CA C 60.758 0.2 1 198 28 28 SER CB C 61.846 0.2 1 199 28 28 SER N N 115.740 0.1 1 200 29 29 ALA H H 7.125 0.01 1 201 29 29 ALA HA H 4.040 0.01 1 202 29 29 ALA HB H 1.233 0.01 1 203 29 29 ALA CA C 53.602 0.2 1 204 29 29 ALA CB C 17.793 0.2 1 205 29 29 ALA N N 122.077 0.1 1 206 30 30 LEU H H 8.346 0.01 1 207 30 30 LEU HA H 3.954 0.01 1 208 30 30 LEU HB2 H 1.120 0.01 2 209 30 30 LEU HB3 H 1.890 0.01 2 210 30 30 LEU HG H 1.885 0.01 1 211 30 30 LEU HD1 H 0.728 0.01 2 212 30 30 LEU HD2 H 0.825 0.01 2 213 30 30 LEU CA C 56.355 0.2 1 214 30 30 LEU CB C 42.212 0.2 1 215 30 30 LEU CG C 26.300 0.2 1 216 30 30 LEU CD1 C 25.401 0.2 1 217 30 30 LEU CD2 C 23.499 0.2 1 218 30 30 LEU N N 117.923 0.1 1 219 31 31 ALA H H 7.929 0.01 1 220 31 31 ALA HA H 3.822 0.01 1 221 31 31 ALA HB H 1.325 0.01 1 222 31 31 ALA CA C 53.672 0.2 1 223 31 31 ALA CB C 17.538 0.2 1 224 31 31 ALA N N 119.689 0.1 1 225 32 32 THR H H 7.035 0.01 1 226 32 32 THR HA H 4.249 0.01 1 227 32 32 THR HB H 4.368 0.01 1 228 32 32 THR HG2 H 1.087 0.01 1 229 32 32 THR CA C 60.170 0.2 1 230 32 32 THR CB C 68.406 0.2 1 231 32 32 THR CG2 C 20.554 0.2 1 232 32 32 THR N N 104.521 0.1 1 233 33 33 SER H H 7.040 0.01 1 234 33 33 SER HA H 4.565 0.01 1 235 33 33 SER HB2 H 3.900 0.01 2 236 33 33 SER HB3 H 3.933 0.01 2 237 33 33 SER CA C 55.715 0.2 1 238 33 33 SER CB C 62.190 0.2 1 239 33 33 SER N N 116.065 0.1 1 240 34 34 SER H H 9.085 0.01 1 241 34 34 SER HA H 4.178 0.01 1 242 34 34 SER HB2 H 3.818 0.01 1 243 34 34 SER HB3 H 3.818 0.01 1 244 34 34 SER CA C 60.098 0.2 1 245 34 34 SER CB C 61.808 0.2 1 246 34 34 SER N N 128.307 0.1 1 247 35 35 ALA H H 8.240 0.01 1 248 35 35 ALA HA H 3.910 0.01 1 249 35 35 ALA HB H 1.249 0.01 1 250 35 35 ALA CA C 54.390 0.2 1 251 35 35 ALA CB C 18.827 0.2 1 252 35 35 ALA N N 123.891 0.1 1 253 36 36 ILE H H 7.555 0.01 1 254 36 36 ILE HA H 3.566 0.01 1 255 36 36 ILE HB H 2.232 0.01 1 256 36 36 ILE HG12 H 1.420 0.01 1 257 36 36 ILE HG13 H 1.425 0.01 1 258 36 36 ILE HG2 H 0.815 0.01 1 259 36 36 ILE HD1 H 0.490 0.01 1 260 36 36 ILE CA C 61.223 0.2 1 261 36 36 ILE CB C 34.808 0.2 1 262 36 36 ILE CG1 C 26.197 0.2 1 263 36 36 ILE CG2 C 15.600 0.2 1 264 36 36 ILE CD1 C 8.750 0.2 1 265 36 36 ILE N N 118.231 0.1 1 266 37 37 SER H H 7.742 0.01 1 267 37 37 SER HA H 4.033 0.01 1 268 37 37 SER HB2 H 3.860 0.01 2 269 37 37 SER HB3 H 3.880 0.01 2 270 37 37 SER CA C 60.980 0.2 1 271 37 37 SER CB C 61.545 0.2 1 272 37 37 SER N N 114.685 0.1 1 273 38 38 ARG H H 8.238 0.01 1 274 38 38 ARG HA H 3.884 0.01 1 275 38 38 ARG HB2 H 1.634 0.01 2 276 38 38 ARG HB3 H 1.733 0.01 2 277 38 38 ARG HG2 H 1.400 0.01 2 278 38 38 ARG HG3 H 1.625 0.01 2 279 38 38 ARG HD2 H 3.002 0.01 1 280 38 38 ARG HD3 H 3.002 0.01 1 281 38 38 ARG CA C 58.425 0.2 1 282 38 38 ARG CB C 29.629 0.2 1 283 38 38 ARG CG C 27.084 0.2 1 284 38 38 ARG CD C 42.635 0.2 1 285 38 38 ARG N N 119.511 0.1 1 286 39 39 ALA H H 7.663 0.01 1 287 39 39 ALA HA H 3.798 0.01 1 288 39 39 ALA HB H 1.044 0.01 1 289 39 39 ALA CA C 54.254 0.2 1 290 39 39 ALA CB C 16.771 0.2 1 291 39 39 ALA N N 121.148 0.1 1 292 40 40 PHE H H 7.641 0.01 1 293 40 40 PHE HA H 3.915 0.01 1 294 40 40 PHE HB2 H 2.458 0.01 2 295 40 40 PHE HB3 H 2.678 0.01 2 296 40 40 PHE HD1 H 6.818 0.01 1 297 40 40 PHE HD2 H 6.818 0.01 1 298 40 40 PHE CA C 60.670 0.2 1 299 40 40 PHE CB C 37.550 0.2 1 300 40 40 PHE CD1 C 130.821 0.2 1 301 40 40 PHE CD2 C 130.821 0.2 1 302 40 40 PHE N N 112.894 0.1 1 303 41 41 ALA H H 7.590 0.01 1 304 41 41 ALA HA H 4.294 0.01 1 305 41 41 ALA HB H 1.424 0.01 1 306 41 41 ALA CA C 53.212 0.2 1 307 41 41 ALA CB C 17.972 0.2 1 308 41 41 ALA N N 120.819 0.1 1 309 42 42 SER H H 7.392 0.01 1 310 42 42 SER HA H 4.295 0.01 1 311 42 42 SER HB2 H 3.769 0.01 1 312 42 42 SER HB3 H 3.769 0.01 1 313 42 42 SER CA C 58.101 0.2 1 314 42 42 SER CB C 63.097 0.2 1 315 42 42 SER N N 110.833 0.1 1 316 43 43 VAL H H 7.083 0.01 1 317 43 43 VAL HA H 4.376 0.01 1 318 43 43 VAL HB H 2.056 0.01 1 319 43 43 VAL HG1 H 0.830 0.01 2 320 43 43 VAL HG2 H 0.740 0.01 2 321 43 43 VAL CA C 59.771 0.2 1 322 43 43 VAL CB C 32.674 0.2 1 323 43 43 VAL CG1 C 18.050 0.2 1 324 43 43 VAL CG2 C 21.911 0.2 1 325 43 43 VAL N N 115.102 0.1 1 326 44 44 SER H H 8.678 0.01 1 327 44 44 SER HA H 4.502 0.01 1 328 44 44 SER HB2 H 3.710 0.01 2 329 44 44 SER HB3 H 3.871 0.01 2 330 44 44 SER CA C 57.599 0.2 1 331 44 44 SER CB C 63.788 0.2 1 332 44 44 SER N N 115.350 0.1 1 333 45 45 SER H H 7.345 0.01 1 334 45 45 SER HA H 4.083 0.01 1 335 45 45 SER HB2 H 3.825 0.01 2 336 45 45 SER HB3 H 3.860 0.01 2 337 45 45 SER CA C 55.684 0.2 1 338 45 45 SER CB C 65.619 0.2 1 339 45 45 SER N N 113.486 0.1 1 340 46 46 ALA H H 9.228 0.01 1 341 46 46 ALA HA H 3.998 0.01 1 342 46 46 ALA HB H 1.514 0.01 1 343 46 46 ALA CA C 54.673 0.2 1 344 46 46 ALA CB C 17.503 0.2 1 345 46 46 ALA N N 126.393 0.1 1 346 47 47 SER H H 8.480 0.01 1 347 47 47 SER HA H 4.086 0.01 1 348 47 47 SER HB2 H 3.750 0.01 2 349 47 47 SER HB3 H 3.770 0.01 2 350 47 47 SER CA C 60.350 0.2 1 351 47 47 SER CB C 61.414 0.2 1 352 47 47 SER N N 113.356 0.1 1 353 48 48 ALA H H 7.862 0.01 1 354 48 48 ALA HA H 4.089 0.01 1 355 48 48 ALA HB H 1.390 0.01 1 356 48 48 ALA CA C 54.038 0.2 1 357 48 48 ALA CB C 18.068 0.2 1 358 48 48 ALA N N 125.511 0.1 1 359 49 49 ALA H H 8.085 0.01 1 360 49 49 ALA HA H 3.919 0.01 1 361 49 49 ALA HB H 1.320 0.01 1 362 49 49 ALA CA C 54.923 0.2 1 363 49 49 ALA CB C 16.433 0.2 1 364 49 49 ALA N N 122.309 0.1 1 365 50 50 SER H H 8.490 0.01 1 366 50 50 SER HA H 3.950 0.01 1 367 50 50 SER HB2 H 3.840 0.01 2 368 50 50 SER HB3 H 3.930 0.01 2 369 50 50 SER CA C 62.200 0.2 1 370 50 50 SER CB C 62.300 0.2 1 371 50 50 SER N N 114.774 0.1 1 372 51 51 SER H H 7.927 0.01 1 373 51 51 SER HA H 4.073 0.01 1 374 51 51 SER HB2 H 3.750 0.01 2 375 51 51 SER HB3 H 3.790 0.01 2 376 51 51 SER CA C 61.015 0.2 1 377 51 51 SER CB C 61.904 0.2 1 378 51 51 SER N N 116.769 0.1 1 379 52 52 LEU H H 7.683 0.01 1 380 52 52 LEU HA H 3.994 0.01 1 381 52 52 LEU HB2 H 1.300 0.01 2 382 52 52 LEU HB3 H 1.600 0.01 2 383 52 52 LEU HD1 H -0.150 0.01 2 384 52 52 LEU HD2 H 0.506 0.01 2 385 52 52 LEU CA C 57.585 0.2 1 386 52 52 LEU CB C 40.600 0.2 1 387 52 52 LEU CG C 26.513 0.2 1 388 52 52 LEU CD1 C 24.589 0.2 1 389 52 52 LEU CD2 C 22.770 0.2 1 390 52 52 LEU N N 123.094 0.1 1 391 53 53 ALA H H 8.247 0.01 1 392 53 53 ALA HA H 3.831 0.01 1 393 53 53 ALA HB H 1.391 0.01 1 394 53 53 ALA CA C 54.630 0.2 1 395 53 53 ALA CB C 18.368 0.2 1 396 53 53 ALA N N 119.335 0.1 1 397 54 54 TYR H H 8.419 0.01 1 398 54 54 TYR HA H 3.840 0.01 1 399 54 54 TYR HB2 H 2.870 0.01 2 400 54 54 TYR HB3 H 3.144 0.01 2 401 54 54 TYR HD1 H 6.700 0.01 1 402 54 54 TYR HD2 H 6.700 0.01 1 403 54 54 TYR CA C 60.659 0.2 1 404 54 54 TYR CB C 37.766 0.2 1 405 54 54 TYR CD1 C 132.600 0.2 1 406 54 54 TYR CD2 C 132.600 0.2 1 407 54 54 TYR N N 117.782 0.1 1 408 55 55 ASN H H 7.957 0.01 1 409 55 55 ASN HA H 4.176 0.01 1 410 55 55 ASN HB2 H 2.568 0.01 2 411 55 55 ASN HB3 H 2.731 0.01 2 412 55 55 ASN HD21 H 7.365 0.01 2 413 55 55 ASN HD22 H 6.805 0.01 2 414 55 55 ASN CA C 55.968 0.2 1 415 55 55 ASN CB C 37.400 0.2 1 416 55 55 ASN N N 117.159 0.1 1 417 55 55 ASN ND2 N 112.502 0.1 1 418 56 56 ILE H H 8.545 0.01 1 419 56 56 ILE HA H 4.002 0.01 1 420 56 56 ILE HB H 1.665 0.01 1 421 56 56 ILE HG2 H 0.610 0.01 1 422 56 56 ILE HD1 H 0.510 0.01 1 423 56 56 ILE CA C 63.950 0.2 1 424 56 56 ILE CB C 37.000 0.2 1 425 56 56 ILE CG2 C 16.393 0.2 1 426 56 56 ILE CD1 C 12.736 0.2 1 427 56 56 ILE N N 116.170 0.1 1 428 57 57 GLY H H 8.442 0.01 1 429 57 57 GLY HA2 H 3.314 0.01 1 430 57 57 GLY HA3 H 3.314 0.01 1 431 57 57 GLY CA C 46.991 0.2 1 432 57 57 GLY N N 111.357 0.1 1 433 58 58 LEU H H 8.413 0.01 1 434 58 58 LEU HA H 3.587 0.01 1 435 58 58 LEU HB2 H 1.036 0.01 2 436 58 58 LEU HB3 H 1.536 0.01 2 437 58 58 LEU HG H 1.168 0.01 1 438 58 58 LEU HD1 H 0.649 0.01 2 439 58 58 LEU HD2 H 0.521 0.01 2 440 58 58 LEU CA C 57.283 0.2 1 441 58 58 LEU CB C 41.223 0.2 1 442 58 58 LEU CG C 25.500 0.2 1 443 58 58 LEU CD1 C 24.469 0.2 1 444 58 58 LEU CD2 C 23.449 0.2 1 445 58 58 LEU N N 122.711 0.1 1 446 59 59 SER H H 7.106 0.01 1 447 59 59 SER HA H 3.975 0.01 1 448 59 59 SER HB2 H 3.810 0.01 2 449 59 59 SER HB3 H 3.830 0.01 2 450 59 59 SER CA C 60.421 0.2 1 451 59 59 SER CB C 62.029 0.2 1 452 59 59 SER N N 111.352 0.1 1 453 60 60 ALA H H 8.267 0.01 1 454 60 60 ALA HA H 3.821 0.01 1 455 60 60 ALA HB H 1.039 0.01 1 456 60 60 ALA CA C 54.365 0.2 1 457 60 60 ALA CB C 17.479 0.2 1 458 60 60 ALA N N 123.721 0.1 1 459 61 61 ALA H H 8.557 0.01 1 460 61 61 ALA HA H 3.722 0.01 1 461 61 61 ALA HB H 1.399 0.01 1 462 61 61 ALA CA C 54.700 0.2 1 463 61 61 ALA CB C 17.980 0.2 1 464 61 61 ALA N N 119.042 0.1 1 465 62 62 ARG H H 7.836 0.01 1 466 62 62 ARG HA H 4.159 0.01 1 467 62 62 ARG HB2 H 1.734 0.01 2 468 62 62 ARG HB3 H 1.780 0.01 2 469 62 62 ARG HG2 H 1.630 0.01 2 470 62 62 ARG HG3 H 1.807 0.01 2 471 62 62 ARG CA C 58.510 0.2 1 472 62 62 ARG CB C 28.891 0.2 1 473 62 62 ARG CG C 27.700 0.2 1 474 62 62 ARG CD C 43.029 0.2 1 475 62 62 ARG N N 116.926 0.1 1 476 63 63 SER H H 8.044 0.01 1 477 63 63 SER HA H 4.074 0.01 1 478 63 63 SER HB2 H 3.825 0.01 2 479 63 63 SER HB3 H 3.845 0.01 2 480 63 63 SER CA C 60.766 0.2 1 481 63 63 SER CB C 62.106 0.2 1 482 63 63 SER N N 117.069 0.1 1 483 64 64 LEU H H 7.577 0.01 1 484 64 64 LEU HA H 4.148 0.01 1 485 64 64 LEU HB2 H 1.570 0.01 2 486 64 64 LEU HB3 H 1.590 0.01 2 487 64 64 LEU HG H 1.650 0.01 1 488 64 64 LEU HD1 H 0.710 0.01 2 489 64 64 LEU HD2 H 0.730 0.01 2 490 64 64 LEU CA C 54.438 0.2 1 491 64 64 LEU CB C 42.500 0.2 1 492 64 64 LEU CG C 26.697 0.2 1 493 64 64 LEU CD1 C 24.529 0.2 1 494 64 64 LEU CD2 C 22.417 0.2 1 495 64 64 LEU N N 118.768 0.1 1 496 65 65 GLY H H 7.656 0.01 1 497 65 65 GLY HA2 H 3.702 0.01 2 498 65 65 GLY HA3 H 3.835 0.01 2 499 65 65 GLY CA C 45.521 0.2 1 500 65 65 GLY N N 108.578 0.1 1 501 66 66 ILE H H 7.815 0.01 1 502 66 66 ILE HA H 3.812 0.01 1 503 66 66 ILE HB H 1.641 0.01 1 504 66 66 ILE HG12 H 1.156 0.01 1 505 66 66 ILE HG13 H 1.285 0.01 1 506 66 66 ILE HG2 H 0.754 0.01 1 507 66 66 ILE HD1 H 0.680 0.01 1 508 66 66 ILE CA C 59.590 0.2 1 509 66 66 ILE CB C 37.134 0.2 1 510 66 66 ILE CG1 C 26.664 0.2 1 511 66 66 ILE CG2 C 15.987 0.2 1 512 66 66 ILE CD1 C 11.613 0.2 1 513 66 66 ILE N N 120.327 0.1 1 514 67 67 ALA H H 8.576 0.01 1 515 67 67 ALA HA H 4.019 0.01 1 516 67 67 ALA HB H 1.328 0.01 1 517 67 67 ALA CA C 53.417 0.2 1 518 67 67 ALA CB C 17.993 0.2 1 519 67 67 ALA N N 131.201 0.1 1 520 68 68 SER H H 8.198 0.01 1 521 68 68 SER HA H 4.016 0.01 1 522 68 68 SER HB2 H 3.930 0.01 2 523 68 68 SER HB3 H 3.931 0.01 2 524 68 68 SER CA C 55.717 0.2 1 525 68 68 SER CB C 60.760 0.2 1 526 68 68 SER N N 115.236 0.1 1 527 69 69 ASP H H 8.169 0.01 1 528 69 69 ASP HA H 3.486 0.01 1 529 69 69 ASP HB2 H 2.428 0.01 2 530 69 69 ASP HB3 H 2.717 0.01 2 531 69 69 ASP CA C 56.488 0.2 1 532 69 69 ASP CB C 38.443 0.2 1 533 69 69 ASP N N 122.697 0.1 1 534 70 70 THR H H 8.696 0.01 1 535 70 70 THR HA H 3.607 0.01 1 536 70 70 THR HB H 4.212 0.01 1 537 70 70 THR HG2 H 1.160 0.01 1 538 70 70 THR CA C 63.952 0.2 1 539 70 70 THR CB C 67.392 0.2 1 540 70 70 THR CG2 C 19.200 0.2 1 541 70 70 THR N N 113.921 0.1 1 542 71 71 ALA H H 7.705 0.01 1 543 71 71 ALA HA H 4.100 0.01 1 544 71 71 ALA HB H 1.457 0.01 1 545 71 71 ALA CA C 53.759 0.2 1 546 71 71 ALA CB C 17.522 0.2 1 547 71 71 ALA N N 126.923 0.1 1 548 72 72 LEU H H 7.248 0.01 1 549 72 72 LEU HA H 2.703 0.01 1 550 72 72 LEU HB2 H 1.360 0.01 2 551 72 72 LEU HG H 1.090 0.01 1 552 72 72 LEU HD1 H 0.666 0.01 2 553 72 72 LEU HD2 H 0.500 0.01 2 554 72 72 LEU CA C 56.914 0.2 1 555 72 72 LEU CB C 38.816 0.2 1 556 72 72 LEU CG C 26.752 0.2 1 557 72 72 LEU CD1 C 24.692 0.2 1 558 72 72 LEU CD2 C 22.428 0.2 1 559 72 72 LEU N N 122.289 0.1 1 560 73 73 ALA H H 7.878 0.01 1 561 73 73 ALA HA H 3.337 0.01 1 562 73 73 ALA HB H 0.566 0.01 1 563 73 73 ALA CA C 55.565 0.2 1 564 73 73 ALA CB C 17.139 0.2 1 565 73 73 ALA N N 121.808 0.1 1 566 74 74 GLY H H 8.234 0.01 1 567 74 74 GLY HA2 H 3.838 0.01 2 568 74 74 GLY HA3 H 3.937 0.01 2 569 74 74 GLY CA C 46.092 0.2 1 570 74 74 GLY N N 104.343 0.1 1 571 75 75 ALA H H 7.683 0.01 1 572 75 75 ALA HA H 4.115 0.01 1 573 75 75 ALA HB H 1.316 0.01 1 574 75 75 ALA CA C 54.128 0.2 1 575 75 75 ALA CB C 16.211 0.2 1 576 75 75 ALA N N 125.532 0.1 1 577 76 76 LEU H H 8.002 0.01 1 578 76 76 LEU HA H 3.758 0.01 1 579 76 76 LEU HB2 H 1.192 0.01 2 580 76 76 LEU HB3 H 1.901 0.01 2 581 76 76 LEU HG H 1.880 0.01 1 582 76 76 LEU HD1 H 0.801 0.01 2 583 76 76 LEU HD2 H 0.797 0.01 2 584 76 76 LEU CA C 57.436 0.2 1 585 76 76 LEU CB C 39.921 0.2 1 586 76 76 LEU CG C 26.325 0.2 1 587 76 76 LEU CD1 C 24.478 0.2 1 588 76 76 LEU CD2 C 23.348 0.2 1 589 76 76 LEU N N 118.505 0.1 1 590 77 77 ALA H H 8.344 0.01 1 591 77 77 ALA HA H 4.025 0.01 1 592 77 77 ALA HB H 1.587 0.01 1 593 77 77 ALA CA C 55.098 0.2 1 594 77 77 ALA CB C 19.050 0.2 1 595 77 77 ALA N N 121.801 0.1 1 596 78 78 GLN H H 8.173 0.01 1 597 78 78 GLN HA H 3.924 0.01 1 598 78 78 GLN HB2 H 2.000 0.01 2 599 78 78 GLN HB3 H 2.020 0.01 2 600 78 78 GLN HG2 H 2.248 0.01 2 601 78 78 GLN HG3 H 2.353 0.01 2 602 78 78 GLN HE21 H 7.350 0.01 2 603 78 78 GLN HE22 H 6.732 0.01 2 604 78 78 GLN CA C 57.739 0.2 1 605 78 78 GLN CB C 27.793 0.2 1 606 78 78 GLN CG C 33.049 0.2 1 607 78 78 GLN N N 118.110 0.1 1 608 78 78 GLN NE2 N 112.000 0.1 1 609 79 79 ALA H H 7.504 0.01 1 610 79 79 ALA HA H 4.041 0.01 1 611 79 79 ALA HB H 1.326 0.01 1 612 79 79 ALA CA C 53.972 0.2 1 613 79 79 ALA CB C 18.366 0.2 1 614 79 79 ALA N N 122.012 0.1 1 615 80 80 VAL H H 8.231 0.01 1 616 80 80 VAL HA H 3.561 0.01 1 617 80 80 VAL HB H 1.968 0.01 1 618 80 80 VAL HG1 H 0.784 0.01 2 619 80 80 VAL HG2 H 0.888 0.01 2 620 80 80 VAL CA C 65.827 0.2 1 621 80 80 VAL CB C 30.662 0.2 1 622 80 80 VAL CG1 C 21.102 0.2 1 623 80 80 VAL CG2 C 23.183 0.2 1 624 80 80 VAL N N 116.657 0.1 1 625 81 81 GLY H H 8.236 0.01 1 626 81 81 GLY HA2 H 3.656 0.01 2 627 81 81 GLY HA3 H 3.780 0.01 2 628 81 81 GLY CA C 46.436 0.2 1 629 81 81 GLY N N 108.784 0.1 1 630 82 82 GLY H H 7.317 0.01 1 631 82 82 GLY HA2 H 3.648 0.01 2 632 82 82 GLY HA3 H 3.906 0.01 2 633 82 82 GLY CA C 44.877 0.2 1 634 82 82 GLY N N 105.087 0.1 1 635 83 83 VAL H H 7.154 0.01 1 636 83 83 VAL HA H 3.565 0.01 1 637 83 83 VAL HB H 2.040 0.01 1 638 83 83 VAL HG1 H 0.194 0.01 2 639 83 83 VAL HG2 H 0.686 0.01 2 640 83 83 VAL CA C 63.655 0.2 1 641 83 83 VAL CB C 31.084 0.2 1 642 83 83 VAL CG1 C 21.900 0.2 1 643 83 83 VAL CG2 C 21.800 0.2 1 644 83 83 VAL N N 121.681 0.1 1 645 84 84 GLY H H 7.778 0.01 1 646 84 84 GLY HA2 H 3.536 0.01 2 647 84 84 GLY HA3 H 4.101 0.01 2 648 84 84 GLY CA C 43.198 0.2 1 649 84 84 GLY N N 107.346 0.1 1 650 85 85 ALA H H 8.647 0.01 1 651 85 85 ALA HA H 4.170 0.01 1 652 85 85 ALA HB H 1.143 0.01 1 653 85 85 ALA CA C 51.242 0.2 1 654 85 85 ALA CB C 18.851 0.2 1 655 85 85 ALA N N 122.290 0.1 1 656 86 86 GLY H H 8.951 0.01 1 657 86 86 GLY HA2 H 3.800 0.01 2 658 86 86 GLY HA3 H 3.820 0.01 2 659 86 86 GLY CA C 45.430 0.2 1 660 86 86 GLY N N 109.767 0.1 1 661 87 87 ALA H H 7.405 0.01 1 662 87 87 ALA HA H 4.176 0.01 1 663 87 87 ALA HB H 0.720 0.01 1 664 87 87 ALA CA C 50.204 0.2 1 665 87 87 ALA CB C 18.992 0.2 1 666 87 87 ALA N N 122.265 0.1 1 667 88 88 SER H H 8.014 0.01 1 668 88 88 SER HA H 4.291 0.01 1 669 88 88 SER HB2 H 3.835 0.01 2 670 88 88 SER HB3 H 4.084 0.01 2 671 88 88 SER CA C 56.696 0.2 1 672 88 88 SER CB C 64.103 0.2 1 673 88 88 SER N N 114.555 0.1 1 674 89 89 ALA H H 8.792 0.01 1 675 89 89 ALA HA H 4.064 0.01 1 676 89 89 ALA HB H 1.455 0.01 1 677 89 89 ALA CA C 55.285 0.2 1 678 89 89 ALA CB C 17.639 0.2 1 679 89 89 ALA N N 123.426 0.1 1 680 90 90 SER H H 8.227 0.01 1 681 90 90 SER HA H 3.801 0.01 1 682 90 90 SER HB2 H 3.702 0.01 1 683 90 90 SER HB3 H 3.702 0.01 1 684 90 90 SER CA C 60.345 0.2 1 685 90 90 SER CB C 61.516 0.2 1 686 90 90 SER N N 110.808 0.1 1 687 91 91 ALA H H 7.622 0.01 1 688 91 91 ALA HA H 3.925 0.01 1 689 91 91 ALA HB H 1.100 0.01 1 690 91 91 ALA CA C 54.270 0.2 1 691 91 91 ALA CB C 17.341 0.2 1 692 91 91 ALA N N 126.031 0.1 1 693 92 92 TYR H H 7.264 0.01 1 694 92 92 TYR HA H 3.799 0.01 1 695 92 92 TYR HB2 H 2.004 0.01 2 696 92 92 TYR HB3 H 2.299 0.01 2 697 92 92 TYR HD1 H 6.538 0.01 1 698 92 92 TYR HD2 H 6.538 0.01 1 699 92 92 TYR HE1 H 6.650 0.01 1 700 92 92 TYR HE2 H 6.650 0.01 1 701 92 92 TYR CA C 61.461 0.2 1 702 92 92 TYR CB C 36.613 0.2 1 703 92 92 TYR CD1 C 131.371 0.2 1 704 92 92 TYR CD2 C 131.371 0.2 1 705 92 92 TYR CE1 C 117.598 0.2 1 706 92 92 TYR CE2 C 117.598 0.2 1 707 92 92 TYR N N 117.215 0.1 1 708 93 93 ALA H H 8.340 0.01 1 709 93 93 ALA HA H 3.570 0.01 1 710 93 93 ALA HB H 1.330 0.01 1 711 93 93 ALA CA C 54.724 0.2 1 712 93 93 ALA CB C 18.180 0.2 1 713 93 93 ALA N N 120.818 0.1 1 714 94 94 ASN H H 8.295 0.01 1 715 94 94 ASN HA H 4.218 0.01 1 716 94 94 ASN HB2 H 2.518 0.01 2 717 94 94 ASN HB3 H 2.677 0.01 2 718 94 94 ASN HD21 H 7.426 0.01 2 719 94 94 ASN HD22 H 6.829 0.01 2 720 94 94 ASN CA C 55.519 0.2 1 721 94 94 ASN CB C 37.729 0.2 1 722 94 94 ASN N N 115.181 0.1 1 723 94 94 ASN ND2 N 112.341 0.1 1 724 95 95 ALA H H 7.407 0.01 1 725 95 95 ALA HA H 3.961 0.01 1 726 95 95 ALA HB H 1.184 0.01 1 727 95 95 ALA CA C 54.268 0.2 1 728 95 95 ALA CB C 17.523 0.2 1 729 95 95 ALA N N 121.601 0.1 1 730 96 96 ILE H H 8.240 0.01 1 731 96 96 ILE HA H 3.349 0.01 1 732 96 96 ILE HB H 1.790 0.01 1 733 96 96 ILE HG12 H 0.870 0.01 1 734 96 96 ILE HG13 H 1.770 0.01 1 735 96 96 ILE HG2 H 0.860 0.01 1 736 96 96 ILE HD1 H 0.588 0.01 1 737 96 96 ILE CA C 65.012 0.2 1 738 96 96 ILE CB C 37.540 0.2 1 739 96 96 ILE CG1 C 29.688 0.2 1 740 96 96 ILE CG2 C 16.868 0.2 1 741 96 96 ILE CD1 C 12.400 0.2 1 742 96 96 ILE N N 117.771 0.1 1 743 97 97 ALA H H 8.344 0.01 1 744 97 97 ALA HA H 3.753 0.01 1 745 97 97 ALA HB H 1.561 0.01 1 746 97 97 ALA CA C 55.340 0.2 1 747 97 97 ALA CB C 19.709 0.2 1 748 97 97 ALA N N 121.242 0.1 1 749 98 98 ARG H H 8.013 0.01 1 750 98 98 ARG HA H 3.912 0.01 1 751 98 98 ARG HB2 H 1.760 0.01 1 752 98 98 ARG HB3 H 1.760 0.01 1 753 98 98 ARG HG2 H 1.380 0.01 2 754 98 98 ARG HG3 H 1.640 0.01 2 755 98 98 ARG HD2 H 2.996 0.01 1 756 98 98 ARG HD3 H 2.996 0.01 1 757 98 98 ARG CA C 58.486 0.2 1 758 98 98 ARG CB C 29.175 0.2 1 759 98 98 ARG CG C 26.952 0.2 1 760 98 98 ARG CD C 42.564 0.2 1 761 98 98 ARG N N 115.885 0.1 1 762 99 99 ALA H H 7.748 0.01 1 763 99 99 ALA HA H 4.062 0.01 1 764 99 99 ALA HB H 1.237 0.01 1 765 99 99 ALA CA C 53.873 0.2 1 766 99 99 ALA CB C 18.399 0.2 1 767 99 99 ALA N N 121.302 0.1 1 768 100 100 ALA H H 8.581 0.01 1 769 100 100 ALA HA H 3.610 0.01 1 770 100 100 ALA HB H 0.927 0.01 1 771 100 100 ALA CA C 54.100 0.2 1 772 100 100 ALA CB C 18.042 0.2 1 773 100 100 ALA N N 119.935 0.1 1 774 101 101 GLY H H 8.224 0.01 1 775 101 101 GLY HA2 H 2.654 0.01 2 776 101 101 GLY HA3 H 3.510 0.01 2 777 101 101 GLY CA C 47.213 0.2 1 778 101 101 GLY N N 105.696 0.1 1 779 102 102 GLN H H 7.741 0.01 1 780 102 102 GLN HA H 3.877 0.01 1 781 102 102 GLN HB2 H 1.952 0.01 2 782 102 102 GLN HB3 H 2.019 0.01 2 783 102 102 GLN HG2 H 2.230 0.01 2 784 102 102 GLN HG3 H 2.311 0.01 2 785 102 102 GLN HE21 H 7.344 0.01 2 786 102 102 GLN HE22 H 6.720 0.01 2 787 102 102 GLN CA C 57.941 0.2 1 788 102 102 GLN CB C 27.622 0.2 1 789 102 102 GLN CG C 32.946 0.2 1 790 102 102 GLN N N 119.784 0.1 1 791 102 102 GLN NE2 N 111.920 0.1 1 792 103 103 PHE H H 7.955 0.01 1 793 103 103 PHE HA H 3.932 0.01 1 794 103 103 PHE HB2 H 2.759 0.01 2 795 103 103 PHE HB3 H 2.959 0.01 2 796 103 103 PHE CA C 61.090 0.2 1 797 103 103 PHE CB C 38.657 0.2 1 798 103 103 PHE N N 120.603 0.1 1 799 104 104 LEU H H 8.529 0.01 1 800 104 104 LEU HA H 3.527 0.01 1 801 104 104 LEU HB2 H 1.247 0.01 1 802 104 104 LEU HB3 H 1.247 0.01 1 803 104 104 LEU HD1 H 0.007 0.01 2 804 104 104 LEU HD2 H 0.770 0.01 2 805 104 104 LEU CA C 56.800 0.2 1 806 104 104 LEU CB C 40.577 0.2 1 807 104 104 LEU CD1 C 25.003 0.2 1 808 104 104 LEU CD2 C 21.125 0.2 1 809 104 104 LEU N N 118.038 0.1 1 810 105 105 ALA H H 7.970 0.01 1 811 105 105 ALA HA H 4.198 0.01 1 812 105 105 ALA HB H 1.378 0.01 1 813 105 105 ALA CA C 54.260 0.2 1 814 105 105 ALA CB C 17.696 0.2 1 815 105 105 ALA N N 122.242 0.1 1 816 106 106 THR H H 7.963 0.01 1 817 106 106 THR HA H 3.804 0.01 1 818 106 106 THR HB H 4.040 0.01 1 819 106 106 THR HG2 H 1.060 0.01 1 820 106 106 THR CA C 65.351 0.2 1 821 106 106 THR CB C 68.044 0.2 1 822 106 106 THR CG2 C 21.000 0.2 1 823 106 106 THR N N 116.067 0.1 1 824 107 107 GLN H H 7.417 0.01 1 825 107 107 GLN HA H 3.840 0.01 1 826 107 107 GLN HB2 H 1.471 0.01 2 827 107 107 GLN HB3 H 1.560 0.01 2 828 107 107 GLN HG2 H 1.570 0.01 2 829 107 107 GLN HG3 H 2.039 0.01 2 830 107 107 GLN CA C 54.957 0.2 1 831 107 107 GLN CB C 28.524 0.2 1 832 107 107 GLN CG C 32.969 0.2 1 833 107 107 GLN N N 116.788 0.1 1 834 108 108 GLY H H 7.469 0.01 1 835 108 108 GLY HA2 H 3.774 0.01 2 836 108 108 GLY HA3 H 3.957 0.01 2 837 108 108 GLY CA C 44.931 0.2 1 838 108 108 GLY N N 106.475 0.1 1 839 109 109 VAL H H 7.298 0.01 1 840 109 109 VAL HA H 3.717 0.01 1 841 109 109 VAL HB H 1.747 0.01 1 842 109 109 VAL HG1 H 0.724 0.01 2 843 109 109 VAL HG2 H 0.708 0.01 2 844 109 109 VAL CA C 62.279 0.2 1 845 109 109 VAL CB C 32.286 0.2 1 846 109 109 VAL CG1 C 20.630 0.2 1 847 109 109 VAL CG2 C 20.360 0.2 1 848 109 109 VAL N N 116.118 0.1 1 849 110 110 LEU H H 6.670 0.01 1 850 110 110 LEU HA H 4.448 0.01 1 851 110 110 LEU HB2 H 1.020 0.01 2 852 110 110 LEU HB3 H 1.195 0.01 2 853 110 110 LEU HG H 1.130 0.01 1 854 110 110 LEU HD1 H 0.605 0.01 2 855 110 110 LEU HD2 H 0.716 0.01 2 856 110 110 LEU CA C 52.729 0.2 1 857 110 110 LEU CB C 43.774 0.2 1 858 110 110 LEU CG C 26.300 0.2 1 859 110 110 LEU CD1 C 24.100 0.2 1 860 110 110 LEU CD2 C 24.850 0.2 1 861 110 110 LEU N N 117.847 0.1 1 862 111 111 ASN H H 9.050 0.01 1 863 111 111 ASN HA H 3.658 0.01 1 864 111 111 ASN HB2 H 2.505 0.01 2 865 111 111 ASN HB3 H 2.672 0.01 2 866 111 111 ASN HD21 H 7.506 0.01 2 867 111 111 ASN HD22 H 6.416 0.01 2 868 111 111 ASN CA C 50.645 0.2 1 869 111 111 ASN CB C 39.456 0.2 1 870 111 111 ASN N N 120.845 0.1 1 871 111 111 ASN ND2 N 116.435 0.1 1 872 112 112 ALA H H 7.904 0.01 1 873 112 112 ALA HA H 3.575 0.01 1 874 112 112 ALA HB H 1.240 0.01 1 875 112 112 ALA CA C 54.050 0.2 1 876 112 112 ALA CB C 17.720 0.2 1 877 112 112 ALA N N 118.019 0.1 1 878 113 113 GLY H H 8.213 0.01 1 879 113 113 GLY HA2 H 3.621 0.01 2 880 113 113 GLY HA3 H 3.997 0.01 2 881 113 113 GLY CA C 45.052 0.2 1 882 113 113 GLY N N 103.598 0.1 1 883 114 114 ASN H H 7.493 0.01 1 884 114 114 ASN HA H 4.840 0.01 1 885 114 114 ASN HB2 H 2.490 0.01 2 886 114 114 ASN HB3 H 3.210 0.01 2 887 114 114 ASN HD21 H 7.152 0.01 2 888 114 114 ASN HD22 H 6.883 0.01 2 889 114 114 ASN CA C 51.139 0.2 1 890 114 114 ASN CB C 38.778 0.2 1 891 114 114 ASN N N 117.447 0.1 1 892 114 114 ASN ND2 N 106.200 0.1 1 893 115 115 ALA H H 7.290 0.01 1 894 115 115 ALA HA H 3.911 0.01 1 895 115 115 ALA HB H 1.466 0.01 1 896 115 115 ALA CA C 56.952 0.2 1 897 115 115 ALA CB C 18.137 0.2 1 898 115 115 ALA N N 122.463 0.1 1 899 116 116 SER H H 8.135 0.01 1 900 116 116 SER HA H 3.893 0.01 1 901 116 116 SER HB2 H 3.699 0.01 1 902 116 116 SER HB3 H 3.699 0.01 1 903 116 116 SER CA C 60.814 0.2 1 904 116 116 SER CB C 61.500 0.2 1 905 116 116 SER N N 109.680 0.1 1 906 117 117 ALA H H 8.233 0.01 1 907 117 117 ALA HA H 4.002 0.01 1 908 117 117 ALA HB H 1.330 0.01 1 909 117 117 ALA CA C 54.282 0.2 1 910 117 117 ALA CB C 17.500 0.2 1 911 117 117 ALA N N 127.849 0.1 1 912 118 118 LEU H H 9.035 0.01 1 913 118 118 LEU HA H 4.145 0.01 1 914 118 118 LEU HB2 H 1.495 0.01 2 915 118 118 LEU HB3 H 1.718 0.01 2 916 118 118 LEU HG H 1.670 0.01 1 917 118 118 LEU HD1 H 0.700 0.01 2 918 118 118 LEU HD2 H 0.780 0.01 2 919 118 118 LEU CA C 56.570 0.2 1 920 118 118 LEU CB C 40.950 0.2 1 921 118 118 LEU CG C 26.949 0.2 1 922 118 118 LEU CD1 C 24.000 0.2 1 923 118 118 LEU CD2 C 23.700 0.2 1 924 118 118 LEU N N 120.370 0.1 1 925 119 119 ALA H H 7.701 0.01 1 926 119 119 ALA HA H 3.311 0.01 1 927 119 119 ALA HB H 0.915 0.01 1 928 119 119 ALA CA C 55.008 0.2 1 929 119 119 ALA CB C 18.940 0.2 1 930 119 119 ALA N N 121.777 0.1 1 931 120 120 GLY H H 7.614 0.01 1 932 120 120 GLY HA2 H 3.604 0.01 2 933 120 120 GLY HA3 H 3.805 0.01 2 934 120 120 GLY CA C 46.359 0.2 1 935 120 120 GLY N N 104.108 0.1 1 936 121 121 SER H H 8.090 0.01 1 937 121 121 SER HA H 4.060 0.01 1 938 121 121 SER HB2 H 3.830 0.01 2 939 121 121 SER HB3 H 3.850 0.01 2 940 121 121 SER CA C 61.052 0.2 1 941 121 121 SER CB C 61.688 0.2 1 942 121 121 SER N N 118.790 0.1 1 943 122 122 PHE H H 9.195 0.01 1 944 122 122 PHE HA H 4.077 0.01 1 945 122 122 PHE HB2 H 3.163 0.01 1 946 122 122 PHE HB3 H 3.163 0.01 1 947 122 122 PHE CA C 60.850 0.2 1 948 122 122 PHE CB C 38.892 0.2 1 949 122 122 PHE N N 123.530 0.1 1 950 123 123 ALA H H 8.553 0.01 1 951 123 123 ALA HA H 3.629 0.01 1 952 123 123 ALA HB H 1.338 0.01 1 953 123 123 ALA CA C 54.892 0.2 1 954 123 123 ALA CB C 18.021 0.2 1 955 123 123 ALA N N 121.066 0.1 1 956 124 124 ARG H H 7.936 0.01 1 957 124 124 ARG HA H 3.849 0.01 1 958 124 124 ARG HB2 H 1.710 0.01 2 959 124 124 ARG HB3 H 1.791 0.01 2 960 124 124 ARG HG2 H 1.420 0.01 2 961 124 124 ARG HG3 H 1.730 0.01 2 962 124 124 ARG HD2 H 3.020 0.01 2 963 124 124 ARG HD3 H 3.143 0.01 2 964 124 124 ARG CA C 58.961 0.2 1 965 124 124 ARG CB C 29.399 0.2 1 966 124 124 ARG CG C 27.312 0.2 1 967 124 124 ARG CD C 42.537 0.2 1 968 124 124 ARG N N 117.763 0.1 1 969 125 125 ALA H H 7.900 0.01 1 970 125 125 ALA HA H 4.078 0.01 1 971 125 125 ALA HB H 1.297 0.01 1 972 125 125 ALA CA C 53.950 0.2 1 973 125 125 ALA CB C 17.350 0.2 1 974 125 125 ALA N N 122.130 0.1 1 975 126 126 LEU H H 8.438 0.01 1 976 126 126 LEU HA H 3.529 0.01 1 977 126 126 LEU HB2 H 1.120 0.01 1 978 126 126 LEU HB3 H 1.120 0.01 1 979 126 126 LEU HG H 1.150 0.01 1 980 126 126 LEU HD1 H 0.510 0.01 2 981 126 126 LEU HD2 H 0.375 0.01 2 982 126 126 LEU CA C 57.240 0.2 1 983 126 126 LEU CB C 41.169 0.2 1 984 126 126 LEU CG C 25.600 0.2 1 985 126 126 LEU CD1 C 25.067 0.2 1 986 126 126 LEU CD2 C 25.466 0.2 1 987 126 126 LEU N N 121.040 0.1 1 988 127 127 SER H H 8.009 0.01 1 989 127 127 SER HA H 3.830 0.01 1 990 127 127 SER HB2 H 3.695 0.01 2 991 127 127 SER HB3 H 3.806 0.01 2 992 127 127 SER CA C 62.050 0.2 1 993 127 127 SER CB C 62.150 0.2 1 994 127 127 SER N N 113.700 0.1 1 995 128 128 ALA H H 7.890 0.01 1 996 128 128 ALA HA H 3.981 0.01 1 997 128 128 ALA HB H 1.304 0.01 1 998 128 128 ALA CA C 54.195 0.2 1 999 128 128 ALA CB C 17.070 0.2 1 1000 128 128 ALA N N 122.345 0.1 1 1001 129 129 SER H H 7.825 0.01 1 1002 129 129 SER HA H 4.111 0.01 1 1003 129 129 SER HB2 H 3.846 0.01 1 1004 129 129 SER HB3 H 3.846 0.01 1 1005 129 129 SER CA C 60.974 0.2 1 1006 129 129 SER CB C 62.287 0.2 1 1007 129 129 SER N N 114.260 0.1 1 1008 130 130 ALA H H 8.144 0.01 1 1009 130 130 ALA HA H 3.706 0.01 1 1010 130 130 ALA HB H 1.141 0.01 1 1011 130 130 ALA CA C 54.160 0.2 1 1012 130 130 ALA CB C 16.670 0.2 1 1013 130 130 ALA N N 123.200 0.1 1 1014 131 131 GLU H H 7.867 0.01 1 1015 131 131 GLU HA H 3.905 0.01 1 1016 131 131 GLU HB2 H 1.940 0.01 2 1017 131 131 GLU HB3 H 1.950 0.01 2 1018 131 131 GLU HG2 H 2.120 0.01 2 1019 131 131 GLU HG3 H 2.174 0.01 2 1020 131 131 GLU CA C 57.877 0.2 1 1021 131 131 GLU CB C 28.993 0.2 1 1022 131 131 GLU CG C 35.404 0.2 1 1023 131 131 GLU N N 118.052 0.1 1 1024 132 132 SER H H 7.645 0.01 1 1025 132 132 SER HA H 4.194 0.01 1 1026 132 132 SER HB2 H 3.790 0.01 2 1027 132 132 SER HB3 H 3.820 0.01 2 1028 132 132 SER CA C 59.110 0.2 1 1029 132 132 SER CB C 62.645 0.2 1 1030 132 132 SER N N 113.209 0.1 1 1031 133 133 GLN H H 7.733 0.01 1 1032 133 133 GLN HA H 3.982 0.01 1 1033 133 133 GLN HB2 H 1.744 0.01 2 1034 133 133 GLN HB3 H 1.883 0.01 2 1035 133 133 GLN HG2 H 2.061 0.01 2 1036 133 133 GLN HG3 H 2.207 0.01 2 1037 133 133 GLN HE21 H 7.211 0.01 2 1038 133 133 GLN HE22 H 6.542 0.01 2 1039 133 133 GLN CA C 55.688 0.2 1 1040 133 133 GLN CB C 27.536 0.2 1 1041 133 133 GLN CG C 32.846 0.2 1 1042 133 133 GLN N N 120.153 0.1 1 1043 133 133 GLN NE2 N 112.208 0.1 1 1044 134 134 SER H H 7.888 0.01 1 1045 134 134 SER HA H 4.116 0.01 1 1046 134 134 SER HB2 H 3.635 0.01 2 1047 134 134 SER HB3 H 3.655 0.01 2 1048 134 134 SER CA C 58.569 0.2 1 1049 134 134 SER CB C 62.522 0.2 1 1050 134 134 SER N N 115.353 0.1 1 1051 135 135 PHE H H 7.933 0.01 1 1052 135 135 PHE HA H 4.369 0.01 1 1053 135 135 PHE HB2 H 2.900 0.01 2 1054 135 135 PHE HB3 H 2.990 0.01 2 1055 135 135 PHE HD1 H 7.045 0.01 1 1056 135 135 PHE HD2 H 7.045 0.01 1 1057 135 135 PHE CA C 57.873 0.2 1 1058 135 135 PHE CB C 38.322 0.2 1 1059 135 135 PHE CD1 C 130.900 0.2 1 1060 135 135 PHE CD2 C 130.900 0.2 1 1061 135 135 PHE N N 122.039 0.1 1 1062 136 136 ALA H H 7.940 0.01 1 1063 136 136 ALA HA H 3.976 0.01 1 1064 136 136 ALA HB H 1.208 0.01 1 1065 136 136 ALA CA C 52.583 0.2 1 1066 136 136 ALA CB C 17.853 0.2 1 1067 136 136 ALA N N 123.522 0.1 1 1068 137 137 GLN H H 8.011 0.01 1 1069 137 137 GLN HA H 4.081 0.01 1 1070 137 137 GLN HB2 H 1.868 0.01 2 1071 137 137 GLN HB3 H 1.978 0.01 2 1072 137 137 GLN HG2 H 2.208 0.01 1 1073 137 137 GLN HG3 H 2.208 0.01 1 1074 137 137 GLN CA C 55.729 0.2 1 1075 137 137 GLN CB C 28.254 0.2 1 1076 137 137 GLN CG C 33.061 0.2 1 1077 137 137 GLN N N 118.336 0.1 1 1078 138 138 SER H H 8.045 0.01 1 1079 138 138 SER HA H 4.205 0.01 1 1080 138 138 SER HB2 H 3.733 0.01 2 1081 138 138 SER HB3 H 3.790 0.01 2 1082 138 138 SER CA C 58.400 0.2 1 1083 138 138 SER CB C 62.822 0.2 1 1084 138 138 SER N N 116.244 0.1 1 1085 139 139 GLN H H 8.183 0.01 1 1086 139 139 GLN HA H 4.047 0.01 1 1087 139 139 GLN HB2 H 1.755 0.01 2 1088 139 139 GLN HB3 H 1.889 0.01 2 1089 139 139 GLN HG2 H 2.082 0.01 1 1090 139 139 GLN HG3 H 2.082 0.01 1 1091 139 139 GLN HE21 H 7.274 0.01 2 1092 139 139 GLN HE22 H 6.700 0.01 2 1093 139 139 GLN CA C 55.750 0.2 1 1094 139 139 GLN CB C 28.270 0.2 1 1095 139 139 GLN CG C 33.031 0.2 1 1096 139 139 GLN N N 121.817 0.1 1 1097 139 139 GLN NE2 N 112.723 0.1 1 1098 140 140 ALA H H 7.962 0.01 1 1099 140 140 ALA HA H 4.017 0.01 1 1100 140 140 ALA HB H 1.160 0.01 1 1101 140 140 ALA CA C 52.599 0.2 1 1102 140 140 ALA CB C 17.907 0.2 1 1103 140 140 ALA N N 123.420 0.1 1 1104 141 141 TYR H H 7.873 0.01 1 1105 141 141 TYR HA H 4.240 0.01 1 1106 141 141 TYR HB2 H 2.837 0.01 1 1107 141 141 TYR HB3 H 2.837 0.01 1 1108 141 141 TYR HD1 H 6.890 0.01 1 1109 141 141 TYR HD2 H 6.890 0.01 1 1110 141 141 TYR HE1 H 6.613 0.01 1 1111 141 141 TYR HE2 H 6.613 0.01 1 1112 141 141 TYR CA C 57.879 0.2 1 1113 141 141 TYR CB C 37.608 0.2 1 1114 141 141 TYR CD1 C 132.491 0.2 1 1115 141 141 TYR CD2 C 132.491 0.2 1 1116 141 141 TYR CE1 C 117.426 0.2 1 1117 141 141 TYR CE2 C 117.426 0.2 1 1118 141 141 TYR N N 118.942 0.1 1 1119 142 142 GLN H H 7.955 0.01 1 1120 142 142 GLN HA H 4.025 0.01 1 1121 142 142 GLN HB2 H 1.837 0.01 2 1122 142 142 GLN HB3 H 1.903 0.01 2 1123 142 142 GLN HG2 H 2.174 0.01 1 1124 142 142 GLN HG3 H 2.174 0.01 1 1125 142 142 GLN CA C 55.691 0.2 1 1126 142 142 GLN CB C 28.369 0.2 1 1127 142 142 GLN CG C 32.974 0.2 1 1128 142 142 GLN N N 121.351 0.1 1 1129 143 143 GLN H H 8.088 0.01 1 1130 143 143 GLN HA H 4.022 0.01 1 1131 143 143 GLN HB2 H 1.839 0.01 2 1132 143 143 GLN HB3 H 1.923 0.01 2 1133 143 143 GLN HG2 H 2.214 0.01 1 1134 143 143 GLN HG3 H 2.214 0.01 1 1135 143 143 GLN CA C 55.650 0.2 1 1136 143 143 GLN CB C 28.349 0.2 1 1137 143 143 GLN CG C 33.012 0.2 1 1138 143 143 GLN N N 120.630 0.1 1 1139 144 144 ALA H H 8.099 0.01 1 1140 144 144 ALA HA H 4.110 0.01 1 1141 144 144 ALA HB H 1.243 0.01 1 1142 144 144 ALA CA C 52.500 0.2 1 1143 144 144 ALA CB C 17.990 0.2 1 1144 144 144 ALA N N 124.450 0.1 1 1145 145 145 SER H H 8.105 0.01 1 1146 145 145 SER HA H 4.178 0.01 1 1147 145 145 SER HB2 H 3.658 0.01 2 1148 145 145 SER HB3 H 3.736 0.01 2 1149 145 145 SER CA C 58.200 0.2 1 1150 145 145 SER CB C 62.850 0.2 1 1151 145 145 SER N N 114.750 0.1 1 1152 146 146 ALA H H 8.084 0.01 1 1153 146 146 ALA HA H 4.046 0.01 1 1154 146 146 ALA HB H 1.153 0.01 1 1155 146 146 ALA CA C 52.691 0.2 1 1156 146 146 ALA CB C 17.897 0.2 1 1157 146 146 ALA N N 125.171 0.1 1 1158 147 147 PHE H H 7.936 0.01 1 1159 147 147 PHE HA H 4.307 0.01 1 1160 147 147 PHE HB2 H 2.902 0.01 2 1161 147 147 PHE HB3 H 2.972 0.01 2 1162 147 147 PHE HD1 H 7.068 0.01 1 1163 147 147 PHE HD2 H 7.068 0.01 1 1164 147 147 PHE CA C 57.871 0.2 1 1165 147 147 PHE CB C 38.454 0.2 1 1166 147 147 PHE CD1 C 130.900 0.2 1 1167 147 147 PHE CD2 C 130.900 0.2 1 1168 147 147 PHE N N 118.693 0.1 1 1169 148 148 GLN H H 7.955 0.01 1 1170 148 148 GLN HA H 3.978 0.01 1 1171 148 148 GLN HB2 H 1.786 0.01 2 1172 148 148 GLN HB3 H 1.882 0.01 2 1173 148 148 GLN HG2 H 2.120 0.01 1 1174 148 148 GLN HG3 H 2.120 0.01 1 1175 148 148 GLN CA C 55.691 0.2 1 1176 148 148 GLN CB C 28.369 0.2 1 1177 148 148 GLN CG C 32.969 0.2 1 1178 148 148 GLN N N 121.351 0.1 1 1179 149 149 GLN H H 8.185 0.01 1 1180 149 149 GLN HA H 4.022 0.01 1 1181 149 149 GLN HB2 H 1.839 0.01 2 1182 149 149 GLN HB3 H 1.923 0.01 2 1183 149 149 GLN HG2 H 2.214 0.01 1 1184 149 149 GLN HG3 H 2.214 0.01 1 1185 149 149 GLN CA C 55.833 0.2 1 1186 149 149 GLN CB C 28.357 0.2 1 1187 149 149 GLN CG C 33.012 0.2 1 1188 149 149 GLN N N 121.150 0.1 1 1189 150 150 ALA H H 8.100 0.01 1 1190 150 150 ALA HA H 4.070 0.01 1 1191 150 150 ALA HB H 1.243 0.01 1 1192 150 150 ALA CA C 52.386 0.2 1 1193 150 150 ALA CB C 17.990 0.2 1 1194 150 150 ALA N N 124.530 0.1 1 1195 151 151 ALA H H 8.037 0.01 1 1196 151 151 ALA HA H 4.049 0.01 1 1197 151 151 ALA HB H 1.209 0.01 1 1198 151 151 ALA CA C 52.270 0.2 1 1199 151 151 ALA CB C 17.935 0.2 1 1200 151 151 ALA N N 122.825 0.1 1 1201 152 152 ALA H H 8.012 0.01 1 1202 152 152 ALA HA H 4.090 0.01 1 1203 152 152 ALA HB H 1.253 0.01 1 1204 152 152 ALA CA C 52.224 0.2 1 1205 152 152 ALA CB C 18.010 0.2 1 1206 152 152 ALA N N 122.580 0.1 1 1207 153 153 GLN H H 8.099 0.01 1 1208 153 153 GLN HA H 4.136 0.01 1 1209 153 153 GLN HB2 H 1.867 0.01 2 1210 153 153 GLN HB3 H 1.972 0.01 2 1211 153 153 GLN HG2 H 2.236 0.01 1 1212 153 153 GLN HG3 H 2.236 0.01 1 1213 153 153 GLN CA C 55.646 0.2 1 1214 153 153 GLN CB C 28.443 0.2 1 1215 153 153 GLN CG C 33.044 0.2 1 1216 153 153 GLN N N 119.080 0.1 1 1217 154 154 SER H H 8.134 0.01 1 1218 154 154 SER HA H 4.225 0.01 1 1219 154 154 SER HB2 H 3.729 0.01 1 1220 154 154 SER HB3 H 3.729 0.01 1 1221 154 154 SER CA C 58.065 0.2 1 1222 154 154 SER CB C 62.901 0.2 1 1223 154 154 SER N N 116.534 0.1 1 1224 155 155 ALA H H 8.160 0.01 1 1225 155 155 ALA HA H 4.125 0.01 1 1226 155 155 ALA HB H 1.251 0.01 1 1227 155 155 ALA CA C 52.168 0.2 1 1228 155 155 ALA CB C 18.070 0.2 1 1229 155 155 ALA N N 125.607 0.1 1 1230 156 156 ALA H H 8.012 0.01 1 1231 156 156 ALA HA H 4.105 0.01 1 1232 156 156 ALA HB H 1.249 0.01 1 1233 156 156 ALA CA C 52.224 0.2 1 1234 156 156 ALA CB C 18.010 0.2 1 1235 156 156 ALA N N 122.320 0.1 1 1236 157 157 GLN H H 8.079 0.01 1 1237 157 157 GLN HA H 4.136 0.01 1 1238 157 157 GLN HB2 H 1.867 0.01 2 1239 157 157 GLN HB3 H 1.972 0.01 2 1240 157 157 GLN HG2 H 2.236 0.01 1 1241 157 157 GLN HG3 H 2.236 0.01 1 1242 157 157 GLN CA C 55.472 0.2 1 1243 157 157 GLN CB C 28.481 0.2 1 1244 157 157 GLN CG C 33.044 0.2 1 1245 157 157 GLN N N 118.946 0.1 1 1246 158 158 SER H H 8.116 0.01 1 1247 158 158 SER HA H 4.225 0.01 1 1248 158 158 SER HB2 H 3.729 0.01 1 1249 158 158 SER HB3 H 3.729 0.01 1 1250 158 158 SER CA C 57.980 0.2 1 1251 158 158 SER CB C 62.900 0.2 1 1252 158 158 SER N N 116.515 0.1 1 1253 159 159 ALA H H 8.146 0.01 1 1254 159 159 ALA HA H 4.192 0.01 1 1255 159 159 ALA HB H 1.255 0.01 1 1256 159 159 ALA CA C 51.931 0.2 1 1257 159 159 ALA CB C 18.313 0.2 1 1258 159 159 ALA N N 125.666 0.1 1 1259 160 160 SER H H 8.079 0.01 1 1260 160 160 SER HA H 4.250 0.01 1 1261 160 160 SER HB2 H 3.710 0.01 1 1262 160 160 SER HB3 H 3.710 0.01 1 1263 160 160 SER CA C 57.641 0.2 1 1264 160 160 SER CB C 62.913 0.2 1 1265 160 160 SER N N 114.824 0.1 1 1266 161 161 ARG H H 8.135 0.01 1 1267 161 161 ARG HA H 4.214 0.01 1 1268 161 161 ARG HB2 H 1.587 0.01 2 1269 161 161 ARG HB3 H 1.748 0.01 2 1270 161 161 ARG HG2 H 1.485 0.01 1 1271 161 161 ARG HG3 H 1.485 0.01 1 1272 161 161 ARG HD2 H 3.035 0.01 1 1273 161 161 ARG HD3 H 3.035 0.01 1 1274 161 161 ARG CA C 55.089 0.2 1 1275 161 161 ARG CB C 30.052 0.2 1 1276 161 161 ARG CG C 26.134 0.2 1 1277 161 161 ARG CD C 42.540 0.2 1 1278 161 161 ARG N N 123.448 0.1 1 1279 162 162 ALA H H 7.852 0.01 1 1280 162 162 ALA HA H 3.952 0.01 1 1281 162 162 ALA HB H 1.172 0.01 1 1282 162 162 ALA CA C 52.974 0.2 1 1283 162 162 ALA CB C 19.189 0.2 1 1284 162 162 ALA N N 130.961 0.1 1 stop_ save_