data_25643 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Amino-terminal domain of Latrodectus hesperus MaSp1 with neutralized acidic cluster ; _BMRB_accession_number 25643 _BMRB_flat_file_name bmr25643.str _Entry_type original _Submission_date 2015-05-29 _Accession_date 2015-06-01 _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 Schaal Daniel . . 2 Schwarzinger Stephan . . 3 Bauer Joschka . . 4 Roesch Paul . . 5 Scheibel Thomas . . 6 Schweimer Kristian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 618 "13C chemical shifts" 367 "15N chemical shifts" 128 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-05-31 original BMRB . stop_ _Original_release_date 2016-05-31 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the amino-terminal domain of major spider silk amplulate with neutralized charge cluster ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schaal Daniel . . 2 Schwarzinger Stephan . . 3 Bauer Joschka . . 4 Scheibel Thomas . . 5 Schweimer Kristian . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Amino-terminal domain of Latrodectus hesperus MaSp1 with neutralized acidic cluster' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 14011.565 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 137 _Mol_residue_sequence ; GMGQANTPWSSKANADAFIN SFISAASNTGSFSQDQMENM SLIGNTLMAAMDNMGGRITP SKLQALDMAFASSVAQIAAS QGGDLGVTTNAIADALTSAF YQTTGVVNSRFISEIRSLIG MFAQASANDVYASAGSG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 MET 3 3 GLY 4 4 GLN 5 5 ALA 6 6 ASN 7 7 THR 8 8 PRO 9 9 TRP 10 10 SER 11 11 SER 12 12 LYS 13 13 ALA 14 14 ASN 15 15 ALA 16 16 ASP 17 17 ALA 18 18 PHE 19 19 ILE 20 20 ASN 21 21 SER 22 22 PHE 23 23 ILE 24 24 SER 25 25 ALA 26 26 ALA 27 27 SER 28 28 ASN 29 29 THR 30 30 GLY 31 31 SER 32 32 PHE 33 33 SER 34 34 GLN 35 35 ASP 36 36 GLN 37 37 MET 38 38 GLU 39 39 ASN 40 40 MET 41 41 SER 42 42 LEU 43 43 ILE 44 44 GLY 45 45 ASN 46 46 THR 47 47 LEU 48 48 MET 49 49 ALA 50 50 ALA 51 51 MET 52 52 ASP 53 53 ASN 54 54 MET 55 55 GLY 56 56 GLY 57 57 ARG 58 58 ILE 59 59 THR 60 60 PRO 61 61 SER 62 62 LYS 63 63 LEU 64 64 GLN 65 65 ALA 66 66 LEU 67 67 ASP 68 68 MET 69 69 ALA 70 70 PHE 71 71 ALA 72 72 SER 73 73 SER 74 74 VAL 75 75 ALA 76 76 GLN 77 77 ILE 78 78 ALA 79 79 ALA 80 80 SER 81 81 GLN 82 82 GLY 83 83 GLY 84 84 ASP 85 85 LEU 86 86 GLY 87 87 VAL 88 88 THR 89 89 THR 90 90 ASN 91 91 ALA 92 92 ILE 93 93 ALA 94 94 ASP 95 95 ALA 96 96 LEU 97 97 THR 98 98 SER 99 99 ALA 100 100 PHE 101 101 TYR 102 102 GLN 103 103 THR 104 104 THR 105 105 GLY 106 106 VAL 107 107 VAL 108 108 ASN 109 109 SER 110 110 ARG 111 111 PHE 112 112 ILE 113 113 SER 114 114 GLU 115 115 ILE 116 116 ARG 117 117 SER 118 118 LEU 119 119 ILE 120 120 GLY 121 121 MET 122 122 PHE 123 123 ALA 124 124 GLN 125 125 ALA 126 126 SER 127 127 ALA 128 128 ASN 129 129 ASP 130 130 VAL 131 131 TYR 132 132 ALA 133 133 SER 134 134 ALA 135 135 GLY 136 136 SER 137 137 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'western black widow spider' 256737 Eukaryota Metazoa Latrodectus hesperus 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 _Details $entity 'recombinant technology' . Escherichia coli BL21(DE3) pET28a pET28a-SUMO-NRN1 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 $entity 600 uM '[U-95% 13C; U-90% 15N]' 'sodium phosphate' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version 1.2.1 loop_ _Vendor _Address _Electronic_address NIH . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CCPNMR_Analysis _Saveframe_category software _Name CCPNMR_Analysis _Version 2.4 loop_ _Vendor _Address _Electronic_address 'Vranken, Boucher, Stevens, Fogh, Pajon, Llinas, Ulrich, Markley, Ionides, Laue' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance II+' _Field_strength 600 _Details 'TXI, 5 mm' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details 'z ; Ultra-Shield, BCU05, TCI-cryo, 5mm' 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_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_CCH-NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-NOESY' _Sample_label $sample_1 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' 20 . mM pH 7.2 . pH pressure 1 . atm temperature 298 . 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 water C 13 protons ppm 4.7 na indirect . . . 1 water H 1 protons ppm 4.7 na indirect . . . 1 water N 15 protons ppm 4.7 na indirect . . . 1 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' '2D 1H-13C HSQC' '2D 1H-13C HSQC aromatic' '3D CBCA(CO)NH' '3D HNCA' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D 1H-13C NOESY aromatic' '3D CCH-NOESY' 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 entity _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 3 3 GLY H H 8.27 0 1 2 3 3 GLY CA C 45.5 0.11 1 3 3 3 GLY N N 108.15 0.09 1 4 4 4 GLN H H 8.14 0 1 5 4 4 GLN HA H 4.21 0.01 1 6 4 4 GLN HB2 H 2.01 0.04 2 7 4 4 GLN HB3 H 1.87 0.04 2 8 4 4 GLN CA C 55.9 0.04 1 9 4 4 GLN CB C 29.49 0.05 1 10 4 4 GLN CG C 33.89 0.03 1 11 4 4 GLN N N 119.7 0.03 1 12 5 5 ALA H H 8.18 0.01 1 13 5 5 ALA HA H 4.17 0.03 1 14 5 5 ALA HB H 1.26 0.03 1 15 5 5 ALA CA C 52.88 0.23 1 16 5 5 ALA CB C 19.22 0.07 1 17 5 5 ALA N N 124.13 0.04 1 18 6 6 ASN H H 8.34 0.01 1 19 6 6 ASN HD21 H 7.39 0.00 1 20 6 6 ASN HD22 H 6.75 0.00 1 21 6 6 ASN HA H 4.5 0.17 1 22 6 6 ASN CA C 52.6 0.03 1 23 6 6 ASN CB C 37.98 0 1 24 6 6 ASN N N 118.55 0.03 1 25 7 7 THR H H 7.48 0.01 1 26 7 7 THR HA H 4.58 0.02 1 27 7 7 THR HB H 3.95 0.04 1 28 7 7 THR HG2 H 0.92 0.02 1 29 7 7 THR CA C 56.79 0.06 1 30 7 7 THR CB C 69.25 0.04 1 31 7 7 THR CG2 C 19.64 0.07 1 32 7 7 THR N N 115.3 0.03 1 33 8 8 PRO HA H 3.83 0 1 34 9 9 TRP H H 7.19 0.02 1 35 9 9 TRP HA H 4.81 0.03 1 36 9 9 TRP HB2 H 3.87 0.04 2 37 9 9 TRP HB3 H 3.34 0.01 2 38 9 9 TRP HD1 H 6.9 0.02 1 39 9 9 TRP HE3 H 6.56 0 1 40 9 9 TRP HZ2 H 6.68 0.01 1 41 9 9 TRP HZ3 H 7.17 0.01 1 42 9 9 TRP HH2 H 6.16 0.02 1 43 9 9 TRP CA C 52.9 0.05 1 44 9 9 TRP CB C 28.76 0.08 1 45 9 9 TRP CD1 C 128.87 0 1 46 9 9 TRP CE3 C 119.83 0.06 1 47 9 9 TRP CZ2 C 113.4 0 1 48 9 9 TRP CZ3 C 121.18 0.08 1 49 9 9 TRP CH2 C 122.9 0.07 1 50 9 9 TRP N N 113.18 0.05 1 51 10 10 SER H H 7.2 0.01 1 52 10 10 SER HA H 4.71 0.01 1 53 10 10 SER HB2 H 3.77 0.04 2 54 10 10 SER HB3 H 3.93 0.03 2 55 10 10 SER CA C 59.76 0.06 1 56 10 10 SER CB C 63.22 0.24 1 57 10 10 SER N N 110.44 0.04 1 58 11 11 SER H H 7.46 0.05 1 59 11 11 SER HA H 4.52 0.03 1 60 11 11 SER HB3 H 4.1 0.03 1 61 11 11 SER HB2 H 4.1 0.03 1 62 11 11 SER CA C 56.93 0.06 1 63 11 11 SER CB C 65.85 0.11 1 64 11 11 SER N N 112 0.03 1 65 12 12 LYS H H 7.99 0.01 1 66 12 12 LYS HA H 3.94 0.02 1 67 12 12 LYS HB2 H 1.82 0.02 2 68 12 12 LYS HB3 H 1.84 0.03 2 69 12 12 LYS HG2 H 1.46 0.04 1 70 12 12 LYS HG3 H 1.46 0.04 1 71 12 12 LYS HD2 H 1.71 0.03 2 72 12 12 LYS HD3 H 1.62 0.03 2 73 12 12 LYS HE2 H 2.92 0.02 2 74 12 12 LYS HE3 H 2.93 0.02 2 75 12 12 LYS CA C 60.63 0.14 1 76 12 12 LYS CB C 32.1 0.06 1 77 12 12 LYS CG C 25.8 0.07 1 78 12 12 LYS CD C 29.48 0.16 1 79 12 12 LYS CE C 42.12 0.08 1 80 12 12 LYS N N 120.31 0.09 1 81 13 13 ALA H H 8.36 0.01 1 82 13 13 ALA HA H 4.16 0.04 1 83 13 13 ALA HB H 1.33 0.03 1 84 13 13 ALA CA C 55.08 0.09 1 85 13 13 ALA CB C 18.15 0.07 1 86 13 13 ALA N N 119.83 0.04 1 87 14 14 ASN H H 7.96 0.01 1 88 14 14 ASN HA H 4.36 0.02 1 89 14 14 ASN HB2 H 2.61 0.06 2 90 14 14 ASN HB3 H 2.71 0.03 2 91 14 14 ASN CA C 56.14 0.11 1 92 14 14 ASN CB C 38.29 0.09 1 93 14 14 ASN N N 119.06 0.03 1 94 15 15 ALA H H 8.44 0.03 1 95 15 15 ALA HA H 4.34 0.03 1 96 15 15 ALA HB H 1.64 0.03 1 97 15 15 ALA CA C 55.87 0.22 1 98 15 15 ALA CB C 19.55 0.07 1 99 15 15 ALA N N 125.51 0.02 1 100 16 16 ASP H H 8.39 0.01 1 101 16 16 ASP HA H 4.36 0.02 1 102 16 16 ASP HB2 H 2.63 0.03 2 103 16 16 ASP HB3 H 2.78 0 2 104 16 16 ASP CA C 57.35 0.12 1 105 16 16 ASP CB C 42.31 0.08 1 106 16 16 ASP N N 118.08 0.05 1 107 17 17 ALA H H 7.65 0.01 1 108 17 17 ALA HA H 4.11 0.02 1 109 17 17 ALA HB H 1.49 0.02 1 110 17 17 ALA CA C 55.1 0.07 1 111 17 17 ALA CB C 18.28 0.1 1 112 17 17 ALA N N 120.35 0.02 1 113 18 18 PHE H H 8.65 0.01 1 114 18 18 PHE HA H 3.77 0.03 1 115 18 18 PHE HB2 H 2.88 0.01 2 116 18 18 PHE HB3 H 2.9 0.03 2 117 18 18 PHE HD1 H 6.37 0.02 1 118 18 18 PHE HD2 H 6.37 0.02 1 119 18 18 PHE HE1 H 5.59 0.01 1 120 18 18 PHE HE2 H 5.59 0.01 1 121 18 18 PHE HZ H 6.09 0.03 1 122 18 18 PHE CA C 62.18 0.04 1 123 18 18 PHE CB C 39.62 0.09 1 124 18 18 PHE CD1 C 131.23 0.06 1 125 18 18 PHE CD2 C 131.23 0.06 1 126 18 18 PHE CE1 C 130.06 0.05 1 127 18 18 PHE CE2 C 130.06 0.05 1 128 18 18 PHE CZ C 128.6 0.06 1 129 18 18 PHE N N 121.31 0.04 1 130 19 19 ILE H H 8.92 0.01 1 131 19 19 ILE HA H 3.46 0.03 1 132 19 19 ILE HB H 2.13 0.03 1 133 19 19 ILE HG12 H 1.37 0.06 1 134 19 19 ILE HG13 H 1.37 0.06 1 135 19 19 ILE HG2 H 0.94 0.04 1 136 19 19 ILE HD1 H 0.96 0.01 1 137 19 19 ILE CA C 65.01 0.05 1 138 19 19 ILE CB C 37.21 0.08 1 139 19 19 ILE CG1 C 29.79 0.12 1 140 19 19 ILE CG2 C 18.01 0.24 1 141 19 19 ILE CD1 C 13 0.06 1 142 19 19 ILE N N 119.77 0.04 1 143 20 20 ASN H H 8.44 0.01 1 144 20 20 ASN HA H 4.37 0.02 1 145 20 20 ASN HB2 H 2.73 0.11 2 146 20 20 ASN HB3 H 2.64 0.03 2 147 20 20 ASN HD21 H 7.38 0.01 2 148 20 20 ASN HD22 H 6.73 0.01 2 149 20 20 ASN CA C 57.1 0.12 1 150 20 20 ASN CB C 38.33 0.05 1 151 20 20 ASN N N 116.91 0.04 1 152 20 20 ASN ND2 N 114.47 0.05 1 153 21 21 SER H H 8.13 0.01 1 154 21 21 SER HA H 4.12 0.03 1 155 21 21 SER HB2 H 3.85 0.04 2 156 21 21 SER HB3 H 3.69 0.02 2 157 21 21 SER CA C 62.69 0.1 1 158 21 21 SER CB C 62.8 0.09 1 159 21 21 SER N N 117 0.08 1 160 22 22 PHE H H 8.53 0.01 1 161 22 22 PHE HA H 3.97 0.02 1 162 22 22 PHE HB2 H 3.01 0.04 2 163 22 22 PHE HB3 H 2.39 0.03 2 164 22 22 PHE HD1 H 6.88 0.02 1 165 22 22 PHE HD2 H 6.88 0.02 1 166 22 22 PHE HE1 H 7.19 0.02 1 167 22 22 PHE HE2 H 7.19 0.02 1 168 22 22 PHE HZ H 6.89 0.01 1 169 22 22 PHE CA C 60.92 0.07 1 170 22 22 PHE CB C 38.38 0.09 1 171 22 22 PHE CD1 C 131.81 0.07 1 172 22 22 PHE CD2 C 131.81 0.07 1 173 22 22 PHE CE1 C 130.39 0.05 1 174 22 22 PHE CE2 C 130.39 0.05 1 175 22 22 PHE CZ C 128.91 0.08 1 176 22 22 PHE N N 124.18 0.03 1 177 23 23 ILE H H 8.6 0.01 1 178 23 23 ILE HA H 3.03 0.02 1 179 23 23 ILE HB H 1.85 0.04 1 180 23 23 ILE HG12 H 1.16 0.06 1 181 23 23 ILE HG13 H 1.16 0.06 1 182 23 23 ILE HG2 H 0.71 0.02 1 183 23 23 ILE CA C 64.56 0.24 1 184 23 23 ILE CB C 37.2 0.09 1 185 23 23 ILE CG1 C 29.15 0.13 1 186 23 23 ILE CG2 C 16.8 0.18 1 187 23 23 ILE CD1 C 12.7 0.2 1 188 23 23 ILE N N 120.16 0.04 1 189 24 24 SER H H 7.89 0.01 1 190 24 24 SER HA H 4.05 0.03 1 191 24 24 SER HB2 H 3.87 0.03 1 192 24 24 SER HB3 H 3.87 0.03 1 193 24 24 SER CA C 61.79 0.11 1 194 24 24 SER CB C 62.84 0.07 1 195 24 24 SER N N 114.9 0.05 1 196 25 25 ALA H H 8.1 0.01 1 197 25 25 ALA HA H 4.08 0.05 1 198 25 25 ALA HB H 1.54 0.04 1 199 25 25 ALA CA C 55.17 0.14 1 200 25 25 ALA CB C 18.21 0.13 1 201 25 25 ALA N N 123.19 0.03 1 202 26 26 ALA H H 8.85 0.01 1 203 26 26 ALA HA H 4.1 0.03 1 204 26 26 ALA HB H 1.52 0.03 1 205 26 26 ALA CA C 55.55 0.18 1 206 26 26 ALA CB C 16.39 0.02 1 207 26 26 ALA N N 122.04 0.03 1 208 27 27 SER H H 8.55 0.02 1 209 27 27 SER HA H 4.16 0.06 1 210 27 27 SER HB2 H 4.01 0.02 1 211 27 27 SER HB3 H 4.01 0.02 1 212 27 27 SER CA C 62.11 0.29 1 213 27 27 SER CB C 62.93 0.07 1 214 27 27 SER N N 116.72 0.04 1 215 28 28 ASN H H 7.68 0.03 1 216 28 28 ASN HA H 4.59 0.02 1 217 28 28 ASN HB2 H 2.85 0.04 2 218 28 28 ASN HB3 H 2.86 0.04 2 219 28 28 ASN HD21 H 7.49 0.00 2 220 28 28 ASN HD22 H 6.83 0.00 2 221 28 28 ASN CA C 54.81 0.06 1 222 28 28 ASN CB C 39.03 0.04 1 223 28 28 ASN N N 117.81 0.03 1 224 29 29 THR H H 7.57 0.01 1 225 29 29 THR HA H 4.17 0.03 1 226 29 29 THR HB H 4.31 0.03 1 227 29 29 THR HG1 H 5.17 0.02 1 228 29 29 THR HG2 H 1.6 0.02 1 229 29 29 THR CA C 64.53 0.05 1 230 29 29 THR CB C 71.26 0.1 1 231 29 29 THR CG2 C 21.64 0.08 1 232 29 29 THR N N 109.08 0.02 1 233 30 30 GLY H H 7.55 0.02 1 234 30 30 GLY HA2 H 4.08 0.03 2 235 30 30 GLY HA3 H 3.92 0.04 2 236 30 30 GLY CA C 46.21 0.08 1 237 30 30 GLY N N 108.75 0.05 1 238 31 31 SER H H 7.82 0.03 1 239 31 31 SER HA H 4.12 0.02 1 240 31 31 SER HB2 H 4.04 0.07 2 241 31 31 SER HB3 H 3.95 0.05 2 242 31 31 SER CA C 59.75 0.1 1 243 31 31 SER CB C 64.02 0.13 1 244 31 31 SER N N 114.87 0.01 1 245 32 32 PHE H H 8.14 0.02 1 246 32 32 PHE HA H 4.86 0.03 1 247 32 32 PHE HB2 H 2.6 0.03 1 248 32 32 PHE HB3 H 2.6 0.03 1 249 32 32 PHE HD1 H 7.01 0.03 1 250 32 32 PHE HD2 H 7.01 0.03 1 251 32 32 PHE HE1 H 6.92 0.01 1 252 32 32 PHE HE2 H 6.92 0.01 1 253 32 32 PHE HZ H 7.02 0.01 1 254 32 32 PHE CA C 56.46 0.05 1 255 32 32 PHE CB C 41.23 0.08 1 256 32 32 PHE CD1 C 132.22 0.06 1 257 32 32 PHE CD2 C 132.22 0.06 1 258 32 32 PHE CE1 C 130.04 0.08 1 259 32 32 PHE CE2 C 130.04 0.08 1 260 32 32 PHE CZ C 129 0.15 1 261 32 32 PHE N N 117.84 0.03 1 262 33 33 SER H H 9.41 0.01 1 263 33 33 SER HA H 4.47 0.02 1 264 33 33 SER HB2 H 4.09 0.07 2 265 33 33 SER HB3 H 4.02 0.03 2 266 33 33 SER CA C 56.88 0.12 1 267 33 33 SER CB C 65.74 0.1 1 268 33 33 SER N N 120.05 0.02 1 269 34 34 GLN H H 9 0.01 1 270 34 34 GLN HA H 3.98 0.02 1 271 34 34 GLN HB2 H 2.13 0.03 2 272 34 34 GLN HB3 H 2.03 0.03 2 273 34 34 GLN HG2 H 2.38 0.04 1 274 34 34 GLN HG3 H 2.38 0.04 1 275 34 34 GLN HE22 H 6.79 0.00 1 276 34 34 GLN CA C 59.61 0.08 1 277 34 34 GLN CB C 28.16 0.07 1 278 34 34 GLN CG C 33.65 0.13 1 279 34 34 GLN N N 121.44 0.03 1 280 35 35 ASP H H 8.39 0.03 1 281 35 35 ASP HA H 4.37 0.03 1 282 35 35 ASP HB2 H 2.66 0.03 1 283 35 35 ASP HB3 H 2.66 0.03 1 284 35 35 ASP CA C 57.47 0.07 1 285 35 35 ASP CB C 41.15 0.08 1 286 35 35 ASP N N 118.15 0.07 1 287 36 36 GLN H H 7.69 0.02 1 288 36 36 GLN HA H 3.99 0.07 1 289 36 36 GLN HB2 H 2.02 0.02 2 290 36 36 GLN HB3 H 2 0.02 2 291 36 36 GLN HE22 H 6.81 0.00 2 292 36 36 GLN HE21 H 7.48 0.00 2 293 36 36 GLN CA C 59.37 0.17 1 294 36 36 GLN CB C 29.93 0.07 1 295 36 36 GLN CG C 33.88 0.2 1 296 36 36 GLN N N 118.28 0.06 1 297 37 37 MET H H 8.32 0.01 1 298 37 37 MET HA H 4.26 0.04 1 299 37 37 MET HB2 H 2.18 0.05 1 300 37 37 MET HB3 H 2.18 0.05 1 301 37 37 MET HG2 H 2.37 0.05 2 302 37 37 MET HG3 H 2.36 0.06 2 303 37 37 MET HE H 1.81 0.02 1 304 37 37 MET CA C 56.6 0.08 1 305 37 37 MET CB C 29.41 0.02 1 306 37 37 MET CG C 33.88 0.06 1 307 37 37 MET N N 117.43 0.02 1 308 38 38 GLU H H 8.48 0.02 1 309 38 38 GLU HA H 3.99 0.03 1 310 38 38 GLU HB3 H 2.08 0.06 1 311 38 38 GLU HB2 H 2.08 0.06 1 312 38 38 GLU HG2 H 2.39 0.04 2 313 38 38 GLU HG3 H 2.38 0.02 2 314 38 38 GLU CA C 59.61 0.04 1 315 38 38 GLU CB C 29.09 0.1 1 316 38 38 GLU CG C 36.54 0.05 1 317 38 38 GLU N N 122.27 0.03 1 318 39 39 ASN H H 7.91 0.02 1 319 39 39 ASN HA H 4.48 0.02 1 320 39 39 ASN HB2 H 2.72 0.03 1 321 39 39 ASN HB3 H 2.72 0.03 1 322 39 39 ASN HD21 H 7.40 0.03 1 323 39 39 ASN CA C 56.05 0.06 1 324 39 39 ASN CB C 37.78 0 1 325 39 39 ASN N N 119.51 0.09 1 326 40 40 MET H H 8.57 0.01 1 327 40 40 MET HA H 3.81 0.03 1 328 40 40 MET HB2 H 2.27 0.03 2 329 40 40 MET HB3 H 2.25 0.02 2 330 40 40 MET HG2 H 2.59 0.02 1 331 40 40 MET HG3 H 2.59 0.03 1 332 40 40 MET CA C 59.96 0.12 1 333 40 40 MET CB C 34.01 0.11 1 334 40 40 MET CG C 34.06 0.12 1 335 40 40 MET N N 121.4 0.04 1 336 41 41 SER H H 7.97 0.03 1 337 41 41 SER CA C 61.85 0 1 338 41 41 SER N N 115.23 0 1 339 42 42 LEU H H 8.16 0.01 1 340 42 42 LEU HA H 4.23 0.01 1 341 42 42 LEU CA C 58.18 0 1 342 42 42 LEU N N 123.36 0.05 1 343 44 44 GLY H H 8.62 0.03 1 344 44 44 GLY HA2 H 3.99 0.03 2 345 44 44 GLY HA3 H 3.75 0.02 2 346 44 44 GLY CA C 48.33 0.06 1 347 44 44 GLY N N 108 0.04 1 348 45 45 ASN H H 8.22 0.04 1 349 45 45 ASN HA H 4.41 0.01 1 350 45 45 ASN HB2 H 2.86 0.02 1 351 45 45 ASN HB3 H 2.86 0.02 1 352 45 45 ASN CA C 56.45 0.14 1 353 45 45 ASN CB C 37.47 0.31 1 354 45 45 ASN N N 119.28 0.14 1 355 46 46 THR H H 8.03 0.03 1 356 46 46 THR HA H 4.35 0.02 1 357 46 46 THR HB H 4.22 0.02 1 358 46 46 THR HG2 H 1.04 0 1 359 46 46 THR CA C 62.54 0.13 1 360 46 46 THR CB C 69.95 0.11 1 361 46 46 THR CG2 C 21.77 0.02 1 362 46 46 THR N N 117.95 0.09 1 363 47 47 LEU H H 7.91 0.07 1 364 47 47 LEU HB2 H 1.55 0.04 1 365 47 47 LEU HB3 H 1.55 0.03 1 366 47 47 LEU CA C 55.33 0 1 367 47 47 LEU CB C 41.99 0.09 1 368 47 47 LEU N N 122.19 0.01 1 369 48 48 MET H H 8.25 0.02 1 370 48 48 MET HA H 4.12 0.01 1 371 48 48 MET HB2 H 1.89 0.05 1 372 48 48 MET HB3 H 1.89 0.05 1 373 48 48 MET CA C 59.23 0.03 1 374 48 48 MET CB C 34.19 0 1 375 48 48 MET N N 124.7 0.02 1 376 49 49 ALA H H 8.18 0.01 1 377 49 49 ALA HA H 4.17 0 1 378 49 49 ALA HB H 1.46 0 1 379 49 49 ALA CA C 52.59 0.02 1 380 49 49 ALA CB C 19.44 0 1 381 50 50 ALA H H 7.86 0.01 1 382 50 50 ALA HA H 4.14 0.03 1 383 50 50 ALA HB H 1.37 0.01 1 384 50 50 ALA CA C 54.85 0.04 1 385 50 50 ALA CB C 18.14 0 1 386 50 50 ALA N N 123.32 0.02 1 387 51 51 MET H H 8.39 0.02 1 388 51 51 MET HA H 4.39 0 1 389 51 51 MET HB2 H 1.93 0 1 390 51 51 MET HB3 H 1.93 0 1 391 51 51 MET HE H 1.84 0 1 392 51 51 MET CA C 59.58 0.06 1 393 51 51 MET CB C 29.03 0.01 1 394 51 51 MET N N 119.32 0.11 1 395 52 52 ASP H H 7.86 0.02 1 396 52 52 ASP HA H 4.46 0.03 1 397 52 52 ASP HB2 H 2.68 0.03 1 398 52 52 ASP HB3 H 2.68 0.03 1 399 52 52 ASP CA C 56.66 0.21 1 400 52 52 ASP CB C 40.86 0.08 1 401 52 52 ASP N N 119.99 0.03 1 402 53 53 ASN H H 7.85 0.02 1 403 53 53 ASN HA H 4.62 0.04 1 404 53 53 ASN HB2 H 2.67 0.03 1 405 53 53 ASN HB3 H 2.67 0.03 1 406 53 53 ASN HD21 H 7.54 0.00 1 407 53 53 ASN HD22 H 6.85 0.00 1 408 53 53 ASN CA C 54.4 0.1 1 409 53 53 ASN CB C 39.16 0.09 1 410 53 53 ASN N N 117.48 0.04 1 411 54 54 MET H H 7.78 0.02 1 412 54 54 MET HA H 4.25 0.02 1 413 54 54 MET HB2 H 2.07 0.02 2 414 54 54 MET HB3 H 2.06 0.01 2 415 54 54 MET HG2 H 2.51 0.02 2 416 54 54 MET HG3 H 2.64 0.02 2 417 54 54 MET HE H 1.95 0.01 1 418 54 54 MET CA C 57.25 0.16 1 419 54 54 MET CB C 33.18 0.19 1 420 54 54 MET CG C 32.55 0.1 1 421 54 54 MET CE C 17.63 0.2 1 422 54 54 MET N N 118.52 0.06 1 423 55 55 GLY H H 7.98 0.01 1 424 55 55 GLY HA2 H 3.89 0.03 2 425 55 55 GLY HA3 H 3.9 0.04 2 426 55 55 GLY CA C 46.27 0.06 1 427 55 55 GLY N N 107.55 0.06 1 428 56 56 GLY H H 8.38 0.01 1 429 56 56 GLY HA2 H 3.93 0.04 2 430 56 56 GLY HA3 H 3.9 0.05 2 431 56 56 GLY CA C 45.44 0.15 1 432 56 56 GLY N N 107.94 0.03 1 433 57 57 ARG H H 7.82 0.01 1 434 57 57 ARG HA H 4.42 0.03 1 435 57 57 ARG HB2 H 1.75 0.05 2 436 57 57 ARG HB3 H 1.73 0.04 2 437 57 57 ARG HG2 H 1.5 0.03 2 438 57 57 ARG HG3 H 1.55 0.03 2 439 57 57 ARG HD2 H 3.15 0.02 1 440 57 57 ARG HD3 H 3.15 0.02 1 441 57 57 ARG CA C 55.31 0.06 1 442 57 57 ARG CB C 30.33 0.12 1 443 57 57 ARG CG C 27.13 0.07 1 444 57 57 ARG CD C 43.42 0.09 1 445 57 57 ARG N N 121.29 0.09 1 446 58 58 ILE H H 8.34 0.02 1 447 58 58 ILE HA H 3.98 0.03 1 448 58 58 ILE HB H 1.8 0.03 1 449 58 58 ILE HG13 H 1.15 0.02 1 450 58 58 ILE HG12 H 1.15 0.02 1 451 58 58 ILE HG2 H 0.8 0.03 1 452 58 58 ILE HD1 H 0.81 0.02 1 453 58 58 ILE CA C 62.09 0.09 1 454 58 58 ILE CB C 37.88 0.14 1 455 58 58 ILE CG1 C 27.83 0.05 1 456 58 58 ILE CG2 C 18.03 0.11 1 457 58 58 ILE CD1 C 12.92 0.07 1 458 58 58 ILE N N 124.37 0.03 1 459 59 59 THR H H 6.79 0.01 1 460 59 59 THR HA H 4.77 0.03 1 461 59 59 THR HB H 3.98 0.01 1 462 59 59 THR HG2 H 0.85 0.04 1 463 59 59 THR CA C 58.63 0.1 1 464 59 59 THR CB C 69.27 0 1 465 59 59 THR CG2 C 22.14 0 1 466 59 59 THR N N 116.58 0.04 1 467 61 61 SER HA H 4.29 0 1 468 61 61 SER CA C 61.13 0 1 469 62 62 LYS H H 7.58 0 1 470 62 62 LYS CA C 59.7 0 1 471 62 62 LYS N N 124.45 0.05 1 472 63 63 LEU H H 7.83 0.01 1 473 63 63 LEU HA H 3.92 0.03 1 474 63 63 LEU HB2 H 1.84 0.03 2 475 63 63 LEU HB3 H 1.78 0.08 2 476 63 63 LEU HD1 H 0.87 0.04 1 477 63 63 LEU HD2 H 0.87 0.04 1 478 63 63 LEU CA C 58.27 0.03 1 479 63 63 LEU CB C 41.22 0.11 1 480 63 63 LEU CG C 25.7 0.18 1 481 63 63 LEU CD1 C 23.95 0.13 2 482 63 63 LEU CD2 C 23.83 0.04 2 483 63 63 LEU N N 118.1 0.1 1 484 64 64 GLN H H 7.84 0.01 1 485 64 64 GLN HA H 4.07 0.03 1 486 64 64 GLN HB2 H 2.14 0 2 487 64 64 GLN HB3 H 2.06 0 2 488 64 64 GLN HG2 H 2.32 0 1 489 64 64 GLN HG3 H 2.32 0 1 490 64 64 GLN HE21 H 7.38 0 1 491 64 64 GLN HE22 H 6.77 0 1 492 64 64 GLN CA C 58.85 0.04 1 493 64 64 GLN CB C 28.71 0.04 1 494 64 64 GLN CG C 34.20 0.00 1 495 64 64 GLN N N 116.98 0.04 1 496 65 65 ALA H H 7.51 0.01 1 497 65 65 ALA HA H 4.04 0.04 1 498 65 65 ALA HB H 1.38 0.03 1 499 65 65 ALA CA C 55.27 0.08 1 500 65 65 ALA CB C 17.7 0.17 1 501 65 65 ALA N N 121.53 0.04 1 502 66 66 LEU H H 7.66 0.01 1 503 66 66 LEU HA H 3.6 0.04 1 504 66 66 LEU HB2 H 1.35 0.04 1 505 66 66 LEU HB3 H 1.35 0.04 1 506 66 66 LEU HG H 1.45 0.03 1 507 66 66 LEU HD2 H 0.51 0.03 1 508 66 66 LEU HD1 H 0.51 0.03 1 509 66 66 LEU CA C 58.03 0.06 1 510 66 66 LEU CB C 39.95 0.08 1 511 66 66 LEU CG C 26.69 0.17 1 512 66 66 LEU CD2 C 22.5 0.14 1 513 66 66 LEU CD1 C 22.5 0.14 1 514 67 67 ASP H H 8.47 0.01 1 515 67 67 ASP HA H 4.41 0.02 1 516 67 67 ASP HB2 H 2.59 0.02 2 517 67 67 ASP HB3 H 2.64 0.05 2 518 67 67 ASP CA C 58.34 0.03 1 519 67 67 ASP CB C 40.74 0.06 1 520 67 67 ASP N N 119.37 0.05 1 521 68 68 MET H H 7.98 0.01 1 522 68 68 MET HA H 3.78 0.01 1 523 68 68 MET CA C 57.89 0 1 524 68 68 MET N N 116.88 0.02 1 525 69 69 ALA H H 8.3 0.02 1 526 69 69 ALA HA H 4.08 0.03 1 527 69 69 ALA HB H 1.33 0.02 1 528 69 69 ALA CA C 55.24 0.11 1 529 69 69 ALA CB C 17.63 0.06 1 530 69 69 ALA N N 125.04 0.05 1 531 70 70 PHE H H 8.49 0.01 1 532 70 70 PHE HA H 3.93 0.02 1 533 70 70 PHE HB2 H 3.39 0.03 2 534 70 70 PHE HB3 H 3.16 0.03 2 535 70 70 PHE HD1 H 7.15 0.02 1 536 70 70 PHE HD2 H 7.15 0.02 1 537 70 70 PHE HE1 H 6.9 0.01 1 538 70 70 PHE HE2 H 6.9 0.01 1 539 70 70 PHE HZ H 6.08 0.01 1 540 70 70 PHE CA C 62.04 0.1 1 541 70 70 PHE CB C 39.82 0.06 1 542 70 70 PHE CD1 C 131.78 0 1 543 70 70 PHE CD2 C 131.78 0 1 544 70 70 PHE CE1 C 130.11 0.08 1 545 70 70 PHE CE2 C 130.11 0.08 1 546 70 70 PHE CZ C 129.55 0.07 1 547 70 70 PHE N N 118.72 0.06 1 548 71 71 ALA H H 8.97 0.02 1 549 71 71 ALA HA H 3.59 0.02 1 550 71 71 ALA HB H 1.38 0.06 1 551 71 71 ALA CA C 55.52 0.08 1 552 71 71 ALA CB C 19.66 0.06 1 553 71 71 ALA N N 119.68 0.04 1 554 72 72 SER H H 8.56 0.01 1 555 72 72 SER HA H 4.05 0.02 1 556 72 72 SER HB2 H 3.82 0.03 2 557 72 72 SER HB3 H 3.81 0.01 2 558 72 72 SER CA C 62.46 0.16 1 559 72 72 SER CB C 62.43 0.17 1 560 72 72 SER N N 110.85 0.04 1 561 73 73 SER H H 7.39 0.03 1 562 73 73 SER HA H 4.1 0.03 1 563 73 73 SER HB2 H 3.68 0.03 2 564 73 73 SER HB3 H 3.8 0.03 2 565 73 73 SER CA C 62.77 0.14 1 566 73 73 SER CB C 62.98 0.09 1 567 73 73 SER N N 117.78 0.04 1 568 74 74 VAL H H 7.98 0.05 1 569 74 74 VAL HA H 3.38 0.02 1 570 74 74 VAL HB H 1.67 0.03 1 571 74 74 VAL HG1 H 0.26 0 2 572 74 74 VAL HG2 H 0.41 0.17 2 573 74 74 VAL CA C 66.8 0.07 1 574 74 74 VAL CB C 31.12 0.07 1 575 74 74 VAL CG2 C 22.47 0.23 1 576 74 74 VAL CG1 C 22.47 0.23 1 577 74 74 VAL N N 120.39 0.05 1 578 75 75 ALA H H 8.38 0.03 1 579 75 75 ALA HA H 3.85 0.03 1 580 75 75 ALA HB H 1.38 0.05 1 581 75 75 ALA CA C 55.33 0.14 1 582 75 75 ALA CB C 17.98 0.09 1 583 75 75 ALA N N 121.42 0.04 1 584 76 76 GLN H H 8.89 0.01 1 585 76 76 GLN HA H 4.08 0.03 1 586 76 76 GLN HB2 H 2.2 0 1 587 76 76 GLN HB3 H 2.2 0 1 588 76 76 GLN HG2 H 2.27 0.03 1 589 76 76 GLN HG3 H 2.27 0.03 1 590 76 76 GLN HE21 H 7.39 0.00 1 591 76 76 GLN HE22 H 6.77 0.00 1 592 76 76 GLN CA C 57.91 0.05 1 593 76 76 GLN CB C 29.76 0.00 1 594 76 76 GLN CG C 34.64 0.00 1 595 76 76 GLN N N 118.53 0.03 1 596 77 77 ILE H H 7.33 0.03 1 597 77 77 ILE HA H 3.65 0.02 1 598 77 77 ILE HB H 1.79 0.03 1 599 77 77 ILE HG12 H 1.03 0.02 1 600 77 77 ILE HG13 H 1.03 0.02 1 601 77 77 ILE HG2 H 0.86 0.06 1 602 77 77 ILE HD1 H 0.6 0.05 1 603 77 77 ILE CA C 64.5 0.13 1 604 77 77 ILE CB C 38.41 0.15 1 605 77 77 ILE CG1 C 28.72 0.14 1 606 77 77 ILE CG2 C 17.74 0.13 1 607 77 77 ILE CD1 C 14.04 0.09 1 608 78 78 ALA H H 8.53 0.04 1 609 78 78 ALA HA H 3.93 0.04 1 610 78 78 ALA HB H 1.39 0.03 1 611 78 78 ALA CA C 55.19 0.09 1 612 78 78 ALA CB C 18.68 0.17 1 613 78 78 ALA N N 122.51 0.04 1 614 79 79 ALA H H 8.04 0.01 1 615 79 79 ALA HA H 4.24 0.02 1 616 79 79 ALA HB H 1.45 0.03 1 617 79 79 ALA CA C 53.55 0.16 1 618 79 79 ALA CB C 19.38 0.14 1 619 79 79 ALA N N 116.84 0.12 1 620 80 80 SER H H 7.65 0.01 1 621 80 80 SER HA H 4.21 0.03 1 622 80 80 SER HB2 H 4.01 0.02 2 623 80 80 SER HB3 H 4.04 0.04 2 624 80 80 SER CA C 60.78 0.06 1 625 80 80 SER CB C 63.88 0.05 1 626 80 80 SER N N 113.08 0.06 1 627 81 81 GLN H H 7.73 0.01 1 628 81 81 GLN HA H 4.36 0.02 1 629 81 81 GLN HB2 H 2.18 0.03 1 630 81 81 GLN HB3 H 2.18 0.03 1 631 81 81 GLN HG2 H 2.36 0.03 1 632 81 81 GLN HG3 H 2.36 0.03 1 633 81 81 GLN HE21 H 7.47 0.00 1 634 81 81 GLN HE22 H 6.79 0.00 1 635 81 81 GLN CA C 56.08 0.1 1 636 81 81 GLN CB C 29.52 0.13 1 637 81 81 GLN CG C 34.07 0.2 1 638 81 81 GLN N N 119.98 0.03 1 639 82 82 GLY H H 7.97 0.01 1 640 82 82 GLY HA2 H 3.86 0.03 2 641 82 82 GLY HA3 H 4.03 0.02 2 642 82 82 GLY CA C 45.47 0.1 1 643 82 82 GLY N N 107.94 0.04 1 644 83 83 GLY H H 8.22 0.01 1 645 83 83 GLY HA2 H 4.03 0.02 2 646 83 83 GLY HA3 H 3.86 0.02 2 647 83 83 GLY CA C 45.04 0.13 1 648 83 83 GLY N N 108.53 0.11 1 649 84 84 ASP H H 8.35 0.01 1 650 84 84 ASP HA H 4.57 0.02 1 651 84 84 ASP HB2 H 2.51 0.02 2 652 84 84 ASP HB3 H 2.8 0.02 2 653 84 84 ASP CA C 54.09 0.13 1 654 84 84 ASP CB C 41.62 0.08 1 655 84 84 ASP N N 121.66 0.02 1 656 85 85 LEU H H 8.73 0 1 657 85 85 LEU HA H 4.15 0.02 1 658 85 85 LEU HB2 H 1.62 0.02 1 659 85 85 LEU HB3 H 1.62 0.02 1 660 85 85 LEU HG H 1.59 0.03 1 661 85 85 LEU HD2 H 0.81 0.03 1 662 85 85 LEU HD1 H 0.81 0.03 1 663 85 85 LEU CA C 56.95 0.09 1 664 85 85 LEU CB C 42 0.09 1 665 85 85 LEU CG C 27.08 0.07 1 666 85 85 LEU CD2 C 24.72 0.05 1 667 85 85 LEU CD1 C 24.72 0.05 1 668 85 85 LEU N N 128.24 0.03 1 669 86 86 GLY H H 8.69 0.01 1 670 86 86 GLY HA2 H 3.74 0.02 2 671 86 86 GLY HA3 H 3.89 0.03 2 672 86 86 GLY CA C 47.67 0.11 1 673 86 86 GLY N N 111.51 0.02 1 674 87 87 VAL H H 7.82 0.01 1 675 87 87 VAL HA H 3.7 0.02 1 676 87 87 VAL HB H 2.08 0.02 1 677 87 87 VAL HG1 H 0.85 0.03 2 678 87 87 VAL HG2 H 0.97 0.02 2 679 87 87 VAL CA C 66.18 0.07 1 680 87 87 VAL CB C 32.02 0.07 1 681 87 87 VAL CG1 C 20.96 0.03 2 682 87 87 VAL CG2 C 22.38 0.05 2 683 87 87 VAL N N 123.05 0.03 1 684 88 88 THR H H 8.09 0.01 1 685 88 88 THR HA H 3.68 0.03 1 686 88 88 THR HB H 4.09 0.02 1 687 88 88 THR HG2 H 1.19 0.02 1 688 88 88 THR CA C 66.57 0.1 1 689 88 88 THR CB C 68.64 0.09 1 690 88 88 THR CG2 C 22.77 0.18 1 691 88 88 THR N N 116.52 0.02 1 692 89 89 THR H H 8.52 0.01 1 693 89 89 THR HA H 4.21 0.04 1 694 89 89 THR HB H 4.11 0.04 1 695 89 89 THR HG1 H 5.11 0 1 696 89 89 THR HG2 H 1.2 0.01 1 697 89 89 THR CA C 68.07 0.11 1 698 89 89 THR CG2 C 21.77 0.05 1 699 89 89 THR N N 117.19 0.05 1 700 90 90 ASN H H 7.81 0.01 1 701 90 90 ASN HA H 4.42 0.02 1 702 90 90 ASN HB2 H 2.87 0.03 1 703 90 90 ASN HB3 H 2.87 0.03 1 704 90 90 ASN HD21 H 6.82 0.00 1 705 90 90 ASN HD22 H 7.59 0.00 1 706 90 90 ASN CA C 56.15 0.1 1 707 90 90 ASN CB C 37.88 0.13 1 708 90 90 ASN N N 120.41 0.09 1 709 91 91 ALA H H 8.07 0.02 1 710 91 91 ALA HA H 4.32 0.03 1 711 91 91 ALA HB H 1.54 0.03 1 712 91 91 ALA CA C 55.5 0.19 1 713 91 91 ALA CB C 18.45 0.07 1 714 91 91 ALA N N 123.15 0.04 1 715 92 92 ILE H H 8.26 0.02 1 716 92 92 ILE HA H 3.94 0.03 1 717 92 92 ILE HB H 1.51 0 1 718 92 92 ILE HG12 H 0.67 0.05 1 719 92 92 ILE HG13 H 0.67 0.05 1 720 92 92 ILE HG2 H 0.94 0.03 1 721 92 92 ILE HD1 H 0.76 0.06 1 722 92 92 ILE CA C 63.52 0.05 1 723 92 92 ILE N N 117.98 0.05 1 724 93 93 ALA H H 8.39 0.01 1 725 93 93 ALA HA H 4.07 0 1 726 93 93 ALA HB H 1.53 0 1 727 93 93 ALA CA C 56.08 0.06 1 728 93 93 ALA CB C 18.24 0.02 1 729 93 93 ALA N N 122.65 0.02 1 730 94 94 ASP H H 8.84 0.01 1 731 94 94 ASP HA H 4.4 0.02 1 732 94 94 ASP HB2 H 2.68 0.02 2 733 94 94 ASP HB3 H 2.88 0.02 2 734 94 94 ASP CA C 57.79 0.07 1 735 94 94 ASP CB C 40.14 0.04 1 736 94 94 ASP N N 122.06 0.03 1 737 95 95 ALA H H 8.41 0.01 1 738 95 95 ALA HA H 4.12 0.03 1 739 95 95 ALA HB H 1.42 0.03 1 740 95 95 ALA CA C 55.22 0.07 1 741 95 95 ALA CB C 18.06 0.04 1 742 95 95 ALA N N 124.38 0.02 1 743 96 96 LEU H H 8.87 0.02 1 744 96 96 LEU HA H 4.04 0.03 1 745 96 96 LEU HB2 H 1.48 0.03 1 746 96 96 LEU HB3 H 1.48 0.03 1 747 96 96 LEU HD2 H 0.76 0.03 1 748 96 96 LEU HD1 H 0.76 0.03 1 749 96 96 LEU CA C 58.02 0.13 1 750 96 96 LEU CB C 43.39 0.07 1 751 96 96 LEU CG C 28.65 0.01 1 752 96 96 LEU CD2 C 24.9 0.18 1 753 96 96 LEU CD1 C 24.9 0.18 1 754 96 96 LEU N N 118.53 0.05 1 755 97 97 THR H H 8.45 0.03 1 756 97 97 THR HA H 4.54 0.02 1 757 97 97 THR HB H 3.81 0.03 1 758 97 97 THR HG1 H 5.15 0.02 1 759 97 97 THR HG2 H 1.2 0.06 1 760 97 97 THR CA C 68.73 0.15 1 761 97 97 THR CB C 68.65 0.09 1 762 97 97 THR CG2 C 21.31 0.03 1 763 97 97 THR N N 117.79 0.03 1 764 98 98 SER H H 7.9 0.02 1 765 98 98 SER HA H 4.24 0.03 1 766 98 98 SER HB2 H 3.96 0.03 1 767 98 98 SER HB3 H 3.96 0.03 1 768 98 98 SER CA C 61.89 0.06 1 769 98 98 SER CB C 63.04 0.05 1 770 98 98 SER N N 115.21 0.1 1 771 99 99 ALA H H 8.05 0.02 1 772 99 99 ALA HA H 4.33 0.03 1 773 99 99 ALA HB H 1.52 0.02 1 774 99 99 ALA CA C 55.33 0.1 1 775 99 99 ALA CB C 18.18 0.11 1 776 99 99 ALA N N 123.15 0.04 1 777 100 100 PHE H H 8.63 0.02 1 778 100 100 PHE HA H 4.21 0.02 1 779 100 100 PHE HB2 H 2.95 0.03 2 780 100 100 PHE HB3 H 3.27 0.03 2 781 100 100 PHE HD1 H 7.37 0.01 1 782 100 100 PHE HD2 H 7.37 0.01 1 783 100 100 PHE HE1 H 6.91 0.02 1 784 100 100 PHE HE2 H 6.91 0.02 1 785 100 100 PHE HZ H 6.26 0.01 1 786 100 100 PHE CA C 64.11 0.16 1 787 100 100 PHE CB C 39.18 0.07 1 788 100 100 PHE CD1 C 132.9 0.05 1 789 100 100 PHE CD2 C 132.9 0.05 1 790 100 100 PHE CE1 C 131.08 0.06 1 791 100 100 PHE CE2 C 131.08 0.06 1 792 100 100 PHE CZ C 130.09 0.1 1 793 100 100 PHE N N 118.17 0.02 1 794 101 101 TYR H H 8.53 0.03 1 795 101 101 TYR HA H 3.98 0.03 1 796 101 101 TYR HB2 H 3.1 0.02 1 797 101 101 TYR HB3 H 3.1 0.02 1 798 101 101 TYR HD1 H 6.92 0.02 1 799 101 101 TYR HD2 H 6.92 0.02 1 800 101 101 TYR HE1 H 6.69 0.01 1 801 101 101 TYR HE2 H 6.69 0.01 1 802 101 101 TYR CA C 62.38 0.06 1 803 101 101 TYR CB C 37.68 0.12 1 804 101 101 TYR CD1 C 132.17 0.06 1 805 101 101 TYR CD2 C 132.17 0.06 1 806 101 101 TYR CE1 C 118.41 0.04 1 807 101 101 TYR CE2 C 118.41 0.04 1 808 101 101 TYR N N 120.66 0.03 1 809 102 102 GLN H H 8.34 0.01 1 810 102 102 GLN HA H 4.07 0.02 1 811 102 102 GLN HB2 H 2 0.04 2 812 102 102 GLN HB3 H 2.18 0.01 2 813 102 102 GLN HG2 H 2.4 0.01 2 814 102 102 GLN HG3 H 2.56 0.02 2 815 102 102 GLN HE21 H 7.31 0 1 816 102 102 GLN HE22 H 6.95 0 1 817 102 102 GLN CA C 57.86 0.07 1 818 102 102 GLN CB C 29.72 0.14 1 819 102 102 GLN CG C 34.59 0.13 1 820 102 102 GLN N N 114.92 0.04 1 821 103 103 THR H H 7.53 0.01 1 822 103 103 THR HA H 4.38 0.02 1 823 103 103 THR HB H 4.23 0.04 1 824 103 103 THR HG1 H 5.18 0.03 1 825 103 103 THR HG2 H 1.15 0.02 1 826 103 103 THR CA C 62.55 0.05 1 827 103 103 THR CB C 70.16 0.19 1 828 103 103 THR CG2 C 21.75 0.08 1 829 103 103 THR N N 108.79 0.06 1 830 104 104 THR H H 8.55 0.02 1 831 104 104 THR HA H 4.43 0.02 1 832 104 104 THR HB H 4.3 0.02 1 833 104 104 THR HG2 H 1.11 0.03 1 834 104 104 THR CA C 62.23 0.1 1 835 104 104 THR CB C 70.56 0.11 1 836 104 104 THR CG2 C 21.85 0.07 1 837 104 104 THR N N 112.18 0.02 1 838 105 105 GLY H H 8.33 0.01 1 839 105 105 GLY HA2 H 3.8 0.03 2 840 105 105 GLY HA3 H 4.3 0.03 2 841 105 105 GLY CA C 45.5 0.08 1 842 105 105 GLY N N 109.48 0.03 1 843 106 106 VAL H H 7.69 0.01 1 844 106 106 VAL HA H 4.17 0.02 1 845 106 106 VAL HB H 1.71 0.03 1 846 106 106 VAL HG2 H 0.72 0.03 1 847 106 106 VAL HG1 H 0.72 0.03 1 848 106 106 VAL CA C 60.88 0.07 1 849 106 106 VAL CB C 35.01 0.09 1 850 106 106 VAL CG2 C 20.49 0.11 1 851 106 106 VAL CG1 C 20.49 0.11 1 852 106 106 VAL N N 119.71 0.03 1 853 107 107 VAL H H 8.48 0.02 1 854 107 107 VAL HA H 4 0.03 1 855 107 107 VAL HB H 1.79 0.04 1 856 107 107 VAL HG2 H 0.69 0.02 1 857 107 107 VAL HG1 H 0.69 0.02 1 858 107 107 VAL CA C 63.41 0.11 1 859 107 107 VAL CB C 36.5 0.08 1 860 107 107 VAL CG2 C 21.57 0.18 1 861 107 107 VAL CG1 C 21.57 0.18 1 862 107 107 VAL N N 125.41 0.04 1 863 109 109 SER H H 7.83 0.01 1 864 109 109 SER HA H 4.06 0.04 1 865 109 109 SER HB3 H 3.8 0.02 1 866 109 109 SER HB2 H 3.8 0.02 1 867 109 109 SER CA C 61.28 0 1 868 109 109 SER CB C 61.88 0 1 869 109 109 SER N N 114.88 0.01 1 870 110 110 ARG H H 7.58 0.01 1 871 110 110 ARG HA H 4.04 0.03 1 872 110 110 ARG HB2 H 1.89 0.03 1 873 110 110 ARG HB3 H 1.89 0.03 1 874 110 110 ARG HG2 H 1.61 0.03 2 875 110 110 ARG HG3 H 1.57 0.04 2 876 110 110 ARG HD2 H 3.13 0.03 2 877 110 110 ARG HD3 H 3.15 0.02 2 878 110 110 ARG CA C 59.19 0.14 1 879 110 110 ARG CB C 29.41 0.06 1 880 110 110 ARG CG C 27.06 0.09 1 881 110 110 ARG CD C 43.13 0.05 1 882 110 110 ARG N N 124.47 0.03 1 883 111 111 PHE H H 7.47 0.01 1 884 111 111 PHE HA H 4.22 0.03 1 885 111 111 PHE HB2 H 2.97 0.05 1 886 111 111 PHE HB3 H 2.97 0.04 1 887 111 111 PHE HD1 H 7.23 0.02 1 888 111 111 PHE HD2 H 7.23 0.02 1 889 111 111 PHE CA C 60.48 0.08 1 890 111 111 PHE CB C 39.5 0.08 1 891 111 111 PHE CD1 C 131.88 0.04 1 892 111 111 PHE CD2 C 131.88 0.04 1 893 111 111 PHE N N 120.72 0.03 1 894 112 112 ILE H H 7.48 0.01 1 895 112 112 ILE HA H 3.55 0.02 1 896 112 112 ILE HB H 1.93 0.03 1 897 112 112 ILE HG12 H 1.26 0.05 1 898 112 112 ILE HG13 H 1.26 0.05 1 899 112 112 ILE HG2 H 0.95 0.03 1 900 112 112 ILE HD1 H 0.93 0.03 1 901 112 112 ILE CA C 65.64 0.1 1 902 112 112 ILE CB C 37.57 0.12 1 903 112 112 ILE CG1 C 29.83 0.13 1 904 112 112 ILE CG2 C 14.06 0.13 1 905 112 112 ILE CD1 C 14.17 0.05 1 906 112 112 ILE N N 116.54 0.02 1 907 113 113 SER H H 8.28 0.02 1 908 113 113 SER HA H 3.98 0.03 1 909 113 113 SER HB2 H 3.97 0.01 1 910 113 113 SER HB3 H 3.97 0.01 1 911 113 113 SER CA C 62.45 0.09 1 912 113 113 SER CB C 62.71 0 1 913 113 113 SER N N 115.79 0.04 1 914 114 114 GLU H H 8.33 0.01 1 915 114 114 GLU HA H 3.98 0.03 1 916 114 114 GLU CA C 59.56 0.07 1 917 114 114 GLU CB C 29.19 0.08 1 918 114 114 GLU CG C 36.51 0 1 919 114 114 GLU N N 122.58 0.03 1 920 115 115 ILE H H 7.81 0.03 1 921 115 115 ILE HA H 3.61 0.02 1 922 115 115 ILE HB H 1.78 0.04 1 923 115 115 ILE HG12 H 1.73 0 1 924 115 115 ILE HG13 H 1.73 0 1 925 115 115 ILE HG2 H 0.79 0.03 1 926 115 115 ILE HD1 H 0.55 0.02 1 927 115 115 ILE CA C 65.06 0.11 1 928 115 115 ILE CB C 36.51 0.13 1 929 115 115 ILE CG1 C 30.28 0.13 1 930 115 115 ILE CG2 C 17.6 0.09 1 931 115 115 ILE CD1 C 13.19 0.12 1 932 115 115 ILE N N 120.01 0.05 1 933 116 116 ARG H H 8.35 0.02 1 934 116 116 ARG HA H 3.73 0.02 1 935 116 116 ARG HB2 H 1.88 0.04 2 936 116 116 ARG HB3 H 1.87 0.04 2 937 116 116 ARG HG2 H 1.33 0 1 938 116 116 ARG HG3 H 1.33 0 1 939 116 116 ARG HD2 H 3.14 0.03 1 940 116 116 ARG HD3 H 3.14 0.03 1 941 116 116 ARG CA C 61.19 0.11 1 942 116 116 ARG CB C 30.27 0.11 1 943 116 116 ARG CG C 27.18 0.06 1 944 116 116 ARG CD C 43.5 0.09 1 945 116 116 ARG N N 119.62 0.08 1 946 117 117 SER H H 7.98 0.01 1 947 117 117 SER HA H 4.14 0.03 1 948 117 117 SER HB2 H 3.94 0.04 2 949 117 117 SER HB3 H 3.95 0.03 2 950 117 117 SER CA C 61.72 0.08 1 951 117 117 SER CB C 62.69 0.12 1 952 117 117 SER N N 115.2 0.04 1 953 118 118 LEU H H 8.17 0.01 1 954 118 118 LEU HA H 3.84 0.03 1 955 118 118 LEU HB2 H 1.71 0.04 2 956 118 118 LEU HB3 H 1.72 0.05 2 957 118 118 LEU HG H 1.62 0.03 1 958 118 118 LEU HD1 H 0.7 0.04 2 959 118 118 LEU HD2 H 0.71 0.03 2 960 118 118 LEU CA C 58.05 0.11 1 961 118 118 LEU CB C 42.47 0.04 1 962 118 118 LEU CG C 25.73 0.07 1 963 118 118 LEU CD1 C 25.72 0.07 2 964 118 118 LEU CD2 C 25.74 0.11 2 965 118 118 LEU N N 123.53 0.13 1 966 119 119 ILE H H 8.38 0.02 1 967 119 119 ILE HA H 3.51 0.03 1 968 119 119 ILE HB H 1.84 0.03 1 969 119 119 ILE HG12 H 1.38 0.01 1 970 119 119 ILE HG13 H 1.38 0.01 1 971 119 119 ILE HG2 H 0.81 0.04 1 972 119 119 ILE HD1 H 0.79 0.03 1 973 119 119 ILE CA C 66.64 0.11 1 974 119 119 ILE CB C 38.01 0.15 1 975 119 119 ILE CG1 C 30.12 0 1 976 119 119 ILE CG2 C 17.47 0.07 1 977 119 119 ILE CD1 C 15.22 0.05 1 978 119 119 ILE N N 119.1 0.05 1 979 120 120 GLY H H 8.17 0 1 980 120 120 GLY HA2 H 3.86 0.02 2 981 120 120 GLY HA3 H 3.75 0.03 2 982 120 120 GLY CA C 47.38 0.07 1 983 120 120 GLY N N 103.74 0.01 1 984 121 121 MET H H 7.69 0.05 1 985 121 121 MET HA H 4.07 0.03 1 986 121 121 MET HB2 H 1.94 0.04 1 987 121 121 MET HB3 H 1.94 0.05 1 988 121 121 MET HG2 H 2.27 0.03 2 989 121 121 MET HG3 H 2.48 0.04 2 990 121 121 MET CA C 58.73 0.07 1 991 121 121 MET CB C 32.99 0.25 1 992 121 121 MET CG C 32 0.05 1 993 121 121 MET N N 120.94 0.12 1 994 122 122 PHE H H 8.47 0.02 1 995 122 122 PHE HA H 4.39 0.02 1 996 122 122 PHE HB2 H 2.86 0.04 2 997 122 122 PHE HB3 H 3.14 0.03 2 998 122 122 PHE HD1 H 7.23 0.01 1 999 122 122 PHE HD2 H 7.23 0.01 1 1000 122 122 PHE HE1 H 7 0.01 1 1001 122 122 PHE HE2 H 7 0.01 1 1002 122 122 PHE HZ H 7.11 0.01 1 1003 122 122 PHE CA C 59.72 0.12 1 1004 122 122 PHE CB C 38.26 0.08 1 1005 122 122 PHE CD1 C 131.33 0.08 1 1006 122 122 PHE CD2 C 131.33 0.08 1 1007 122 122 PHE CE1 C 130.85 0.04 1 1008 122 122 PHE CE2 C 130.85 0.04 1 1009 122 122 PHE CZ C 129.38 0.05 1 1010 122 122 PHE N N 119.5 0.19 1 1011 123 123 ALA H H 8.36 0.01 1 1012 123 123 ALA HA H 4.2 0.02 1 1013 123 123 ALA HB H 1.49 0.03 1 1014 123 123 ALA CA C 54.34 0.09 1 1015 123 123 ALA CB C 19.14 0.05 1 1016 123 123 ALA N N 122.25 0.03 1 1017 124 124 GLN H H 7.72 0.02 1 1018 124 124 GLN HA H 4.15 0.02 1 1019 124 124 GLN HB2 H 2.07 0.04 2 1020 124 124 GLN HB3 H 2.08 0.04 2 1021 124 124 GLN HG2 H 2.42 0.03 2 1022 124 124 GLN HG3 H 2.37 0.02 2 1023 124 124 GLN HE21 H 7.38 0.00 2 1024 124 124 GLN HE22 H 6.78 0.00 2 1025 124 124 GLN CA C 57.17 0.06 1 1026 124 124 GLN CB C 29.04 0.08 1 1027 124 124 GLN CG C 34 0.13 1 1028 124 124 GLN N N 117.12 0.04 1 1029 125 125 ALA H H 7.89 0.03 1 1030 125 125 ALA HA H 4.21 0.03 1 1031 125 125 ALA HB H 1.41 0.03 1 1032 125 125 ALA CA C 53.65 0.06 1 1033 125 125 ALA CB C 18.96 0.08 1 1034 125 125 ALA N N 122.81 0.1 1 1035 126 126 SER H H 7.98 0.01 1 1036 126 126 SER HA H 4.36 0.02 1 1037 126 126 SER HB2 H 3.81 0.05 2 1038 126 126 SER HB3 H 3.88 0.02 2 1039 126 126 SER CA C 59.09 0.07 1 1040 126 126 SER CB C 63.85 0.08 1 1041 126 126 SER N N 113.75 0.17 1 1042 127 127 ALA H H 7.96 0.01 1 1043 127 127 ALA HA H 4.24 0.04 1 1044 127 127 ALA HB H 1.39 0.03 1 1045 127 127 ALA CA C 53.17 0.04 1 1046 127 127 ALA CB C 19.01 0.02 1 1047 127 127 ALA N N 124.96 0.03 1 1048 128 128 ASN H H 8.1 0.01 1 1049 128 128 ASN HA H 4.63 0.03 1 1050 128 128 ASN HB2 H 2.68 0.03 2 1051 128 128 ASN HB3 H 2.78 0.03 2 1052 128 128 ASN CA C 53.55 0.05 1 1053 128 128 ASN CB C 39.18 0.06 1 1054 128 128 ASN N N 116.91 0.06 1 1055 129 129 ASP H H 8.11 0.01 1 1056 129 129 ASP HA H 4.53 0.02 1 1057 129 129 ASP HB2 H 2.61 0.03 1 1058 129 129 ASP HB3 H 2.61 0.03 1 1059 129 129 ASP CA C 54.7 0.09 1 1060 129 129 ASP CB C 41.15 0.08 1 1061 129 129 ASP N N 120.68 0.07 1 1062 130 130 VAL H H 7.86 0.01 1 1063 130 130 VAL HA H 3.87 0.02 1 1064 130 130 VAL HB H 1.89 0.02 1 1065 130 130 VAL HG1 H 0.69 0.03 1 1066 130 130 VAL HG2 H 0.69 0.03 1 1067 130 130 VAL CA C 63.17 0.07 1 1068 130 130 VAL CB C 32.41 0.04 1 1069 130 130 VAL CG1 C 20.6 0.22 1 1070 130 130 VAL CG2 C 20.6 0.22 1 1071 130 130 VAL N N 119.67 0.04 1 1072 131 131 TYR H H 8.04 0.01 1 1073 131 131 TYR HA H 4.47 0.02 1 1074 131 131 TYR HB2 H 2.84 0.03 2 1075 131 131 TYR HB3 H 3.04 0.03 2 1076 131 131 TYR HD1 H 7.03 0.01 1 1077 131 131 TYR HD2 H 7.03 0.01 1 1078 131 131 TYR HE1 H 6.71 0.01 1 1079 131 131 TYR HE2 H 6.71 0.01 1 1080 131 131 TYR CA C 58.09 0.03 1 1081 131 131 TYR CB C 38.45 0.08 1 1082 131 131 TYR CD1 C 133.09 0.08 1 1083 131 131 TYR CD2 C 133.09 0.08 1 1084 131 131 TYR CE1 C 118.28 0.06 1 1085 131 131 TYR CE2 C 118.28 0.06 1 1086 131 131 TYR N N 122.03 0.04 1 1087 132 132 ALA H H 7.92 0.03 1 1088 132 132 ALA HA H 4.22 0.02 1 1089 132 132 ALA HB H 1.35 0.03 1 1090 132 132 ALA CA C 52.84 0.07 1 1091 132 132 ALA CB C 19.24 0.08 1 1092 132 132 ALA N N 124.84 0.02 1 1093 133 133 SER H H 8.1 0.01 1 1094 133 133 SER HA H 4.34 0.03 1 1095 133 133 SER HB2 H 3.82 0.05 1 1096 133 133 SER HB3 H 3.82 0.05 1 1097 133 133 SER CA C 58.41 0.03 1 1098 133 133 SER CB C 64.04 0.12 1 1099 133 133 SER N N 114.78 0.00 1 1100 134 134 ALA H H 8.23 0.00 1 1101 134 134 ALA N N 125.93 0.00 1 1102 134 134 ALA CA C 52.87 0.00 1 1103 134 134 ALA CB C 19.32 0.00 1 1104 135 135 GLY H H 8.23 0.00 1 1105 135 135 GLY N N 108.14 0.00 1 1106 135 135 GLY CA C 45.43 0.00 1 1107 136 136 SER H H 8.14 0.00 1 1108 136 136 SER N N 115.69 0.00 1 1109 136 136 SER CA C 58.38 0.00 1 1110 136 136 SER CB C 64.19 0.00 1 1111 137 137 GLY H H 8.04 0.00 1 1112 137 137 GLY N N 117.04 0.00 1 1113 137 137 GLY CA C 46.32 0.00 1 stop_ save_