data_4380 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C Resonance Assignments and Monomeric Structure of the Amino-Terminal Extracellular Domain of Epithelial Cadherin ; _BMRB_accession_number 4380 _BMRB_flat_file_name bmr4380.str _Entry_type original _Submission_date 1999-06-30 _Accession_date 1999-07-01 _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 Overduin Michael . . 2 Tong Kit I. . 3 Kay Cyril M. . 4 Ikura Mitsuhiko . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 658 "13C chemical shifts" 444 "15N chemical shifts" 133 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-07-13 original author . stop_ _Original_release_date 2007-07-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Overduin, M., Tong, K. I., Kay, C. M., and Ikura, M., "1H, 15N and 13C Resonance Assignments and Monomeric Structure of the Amino-Terminal Extracellular Domain of Epithelial Cadherin," J. Biomol. NMR 7, 173-189 (1996). ; _Citation_title ; 1H, 15N and 13C Resonance Assignments and Monomeric Structure of the Amino-Terminal Extracellular Domain of Epithelial Cadheri ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 96271285 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Overduin Michael . . 2 Tong Kit I. . 3 Kay Cyril M. . 4 Ikura Mitsuhiko . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 7 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 173 _Page_last 189 _Year 1996 _Details . save_ ################################## # Molecular system description # ################################## save_E-cadherin _Saveframe_category molecular_system _Mol_system_name 'Epithelial Cadherin' _Abbreviation_common E-cadherin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'E-cadherin domain 1' $Ecad-1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'fully reduced' loop_ _Biological_function 'calcium-dependent cell adhesion molecule' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Ecad-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Epithelial cadherin' _Abbreviation_common E-cadherin _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 146 _Mol_residue_sequence ; MRDWVIPPISCPENEKGEFP KNLVQIKSNRDKETKVFYSI TGQGADKPPVGVFIIERETG WLKVTQPLDREAIAKYILYS HAVSSNGEAVEDPMEIVITV TDQNDNRPEFTQEVFEGSVA EGAVPGTSVMKVSATDADDD VNTYNA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 MET 2 0 ARG 3 1 ASP 4 2 TRP 5 3 VAL 6 4 ILE 7 5 PRO 8 6 PRO 9 7 ILE 10 8 SER 11 9 CYS 12 10 PRO 13 11 GLU 14 12 ASN 15 13 GLU 16 14 LYS 17 15 GLY 18 16 GLU 19 17 PHE 20 18 PRO 21 19 LYS 22 20 ASN 23 21 LEU 24 22 VAL 25 23 GLN 26 24 ILE 27 25 LYS 28 26 SER 29 27 ASN 30 28 ARG 31 29 ASP 32 30 LYS 33 31 GLU 34 32 THR 35 33 LYS 36 34 VAL 37 35 PHE 38 36 TYR 39 37 SER 40 38 ILE 41 39 THR 42 40 GLY 43 41 GLN 44 42 GLY 45 43 ALA 46 44 ASP 47 45 LYS 48 46 PRO 49 47 PRO 50 48 VAL 51 49 GLY 52 50 VAL 53 51 PHE 54 52 ILE 55 53 ILE 56 54 GLU 57 55 ARG 58 56 GLU 59 57 THR 60 58 GLY 61 59 TRP 62 60 LEU 63 61 LYS 64 62 VAL 65 63 THR 66 64 GLN 67 65 PRO 68 66 LEU 69 67 ASP 70 68 ARG 71 69 GLU 72 70 ALA 73 71 ILE 74 72 ALA 75 73 LYS 76 74 TYR 77 75 ILE 78 76 LEU 79 77 TYR 80 78 SER 81 79 HIS 82 80 ALA 83 81 VAL 84 82 SER 85 83 SER 86 84 ASN 87 85 GLY 88 86 GLU 89 87 ALA 90 88 VAL 91 89 GLU 92 90 ASP 93 91 PRO 94 92 MET 95 93 GLU 96 94 ILE 97 95 VAL 98 96 ILE 99 97 THR 100 98 VAL 101 99 THR 102 100 ASP 103 101 GLN 104 102 ASN 105 103 ASP 106 104 ASN 107 105 ARG 108 106 PRO 109 107 GLU 110 108 PHE 111 109 THR 112 110 GLN 113 111 GLU 114 112 VAL 115 113 PHE 116 114 GLU 117 115 GLY 118 116 SER 119 117 VAL 120 118 ALA 121 119 GLU 122 120 GLY 123 121 ALA 124 122 VAL 125 123 PRO 126 124 GLY 127 125 THR 128 126 SER 129 127 VAL 130 128 MET 131 129 LYS 132 130 VAL 133 131 SER 134 132 ALA 135 133 THR 136 134 ASP 137 135 ALA 138 136 ASP 139 137 ASP 140 138 ASP 141 139 VAL 142 140 ASN 143 141 THR 144 142 TYR 145 143 ASN 146 144 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 1SUH "Amino-Terminal Domain Of Epithelial Cadherin In The Calcium Bound State, Nmr, 20 Structures" 100.00 146 100.00 100.00 8.14e-102 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'CALCIUM ION' _BMRB_code CA _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $Ecad-1 'house mouse' 10090 Eukaryota Metazoa Mus Musculus E-cadherin 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 $Ecad-1 '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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Ecad-1 . mM 0.1 2 '[U-13C; U-15N]' KCl 100 mM . . . 'perdeuterated dithiothreitol' 10 mM . . . 'perdeuterated Tris' 20 mM . . . 'sodium azide' 50 uM . . . CaCl2 10 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_Pipp _Saveframe_category software _Name PIPP _Version . loop_ _Task 'spectral analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UNITY-plus _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 7.2 0.1 n/a temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 _Indirect_shift_ratio_citation_label _Reference_correction_type _Correction_value_citation_label TSP H 1 'methyl protons' ppm 0.00 internal direct cylindrical internal parallel_to_Bo 1 $entry_citation pH $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details ; K14, G15, G124, and T125 exhibit a second set of resonances that may coorespond to a minor conformational state ; loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'E-cadherin domain 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 MET HA H 4.047 0.01 1 2 . 1 MET HB2 H 2.125 0.01 1 3 . 1 MET HB3 H 2.125 0.01 1 4 . 1 MET HG2 H 2.611 0.01 1 5 . 1 MET HG3 H 2.611 0.01 1 6 . 1 MET CA C 55.24 0.1 1 7 . 1 MET CB C 33.48 0.1 1 8 . 1 MET CG C 30.85 0.1 1 9 . 2 ARG HA H 4.032 0.01 1 10 . 2 ARG HB2 H 1.893 0.01 2 11 . 2 ARG HB3 H 1.433 0.01 2 12 . 2 ARG HG2 H 1.705 0.01 2 13 . 2 ARG HD2 H 3.013 0.01 2 14 . 2 ARG C C 175.06 0.1 1 15 . 2 ARG CA C 55.86 0.1 1 16 . 2 ARG CB C 30.54 0.1 1 17 . 2 ARG CG C 28.81 0.1 1 18 . 3 ASP N N 122.374 0.1 1 19 . 3 ASP H H 8.4563 0.01 1 20 . 3 ASP HA H 4.6325 0.01 1 21 . 3 ASP HB2 H 2.72 0.01 2 22 . 3 ASP HB3 H 2.62 0.01 2 23 . 3 ASP C C 175.3 0.1 1 24 . 3 ASP CA C 54.37 0.1 1 25 . 3 ASP CB C 41.28 0.1 1 26 . 4 TRP N N 122.67 0.1 1 27 . 4 TRP H H 8.267 0.01 1 28 . 4 TRP HA H 4.734 0.01 1 29 . 4 TRP HB2 H 3.38 0.01 2 30 . 4 TRP HB3 H 3.194 0.01 2 31 . 4 TRP HD1 H 7.265 0.01 1 32 . 4 TRP HE1 H 10.0888 0.01 1 33 . 4 TRP HE3 H 7.571 0.01 1 34 . 4 TRP HZ2 H 7.338 0.01 1 35 . 4 TRP HZ3 H 6.951 0.01 1 36 . 4 TRP HH2 H 7.003 0.01 1 37 . 4 TRP C C 174.35 0.1 1 38 . 4 TRP CA C 56.63 0.1 1 39 . 4 TRP CB C 29.46 0.1 1 40 . 5 VAL N N 121.029 0.1 1 41 . 5 VAL H H 7.7952 0.01 1 42 . 5 VAL HA H 4.084 0.01 1 43 . 5 VAL HB H 1.959 0.01 1 44 . 5 VAL HG1 H 0.907 0.01 2 45 . 5 VAL HG2 H 0.834 0.01 2 46 . 5 VAL C C 174.64 0.1 1 47 . 5 VAL CA C 61.19 0.1 1 48 . 5 VAL CB C 33.92 0.1 1 49 . 6 ILE N N 125.492 0.1 1 50 . 6 ILE H H 7.9921 0.01 1 51 . 6 ILE HA H 4.482 0.01 1 52 . 6 ILE HB H 1.772 0.01 1 53 . 6 ILE HG12 H 1.366 0.01 2 54 . 6 ILE HG13 H 1.133 0.01 2 55 . 6 ILE HG2 H 0.847 0.01 1 56 . 6 ILE HD1 H 0.66 0.01 1 57 . 6 ILE CA C 57.38 0.1 1 58 . 6 ILE CB C 39.24 0.1 1 59 . 8 PRO C C 176.36 0.1 1 60 . 8 PRO CA C 62.93 0.1 1 61 . 8 PRO CB C 31.74 0.1 1 62 . 9 ILE N N 124.392 0.1 1 63 . 9 ILE H H 8.4595 0.01 1 64 . 9 ILE HA H 4.294 0.01 1 65 . 9 ILE HB H 1.865 0.01 1 66 . 9 ILE HG12 H 1.041 0.01 2 67 . 9 ILE HG2 H 0.845 0.01 1 68 . 9 ILE HD1 H 0.588 0.01 1 69 . 9 ILE C C 174.73 0.1 1 70 . 9 ILE CA C 59.85 0.1 1 71 . 9 ILE CB C 40.3 0.1 1 72 . 10 SER N N 122.18 0.1 1 73 . 10 SER H H 8.5412 0.01 1 74 . 10 SER HA H 5.464 0.01 1 75 . 10 SER HB2 H 3.727 0.01 2 76 . 10 SER C C 173.32 0.1 1 77 . 10 SER CA C 56.55 0.1 1 78 . 10 SER CB C 64.83 0.1 1 79 . 11 CYS N N 124.361 0.1 1 80 . 11 CYS H H 8.9401 0.01 1 81 . 11 CYS HA H 5.041 0.01 1 82 . 11 CYS HB2 H 2.977 0.01 2 83 . 11 CYS HB3 H 2.371 0.01 2 84 . 11 CYS CA C 55.42 0.1 1 85 . 11 CYS CB C 30.04 0.1 1 86 . 12 PRO HA H 4.694 0.01 1 87 . 12 PRO HB2 H 1.893 0.01 2 88 . 12 PRO HB3 H 1.425 0.01 2 89 . 12 PRO C C 176.95 0.1 1 90 . 12 PRO CA C 61.9 0.1 1 91 . 12 PRO CB C 32.5 0.1 1 92 . 13 GLU N N 119.256 0.1 1 93 . 13 GLU H H 8.2241 0.01 1 94 . 13 GLU HA H 4.208 0.01 1 95 . 13 GLU HB2 H 1.905 0.01 2 96 . 13 GLU HG2 H 2.211 0.01 2 97 . 13 GLU HG3 H 2.121 0.01 2 98 . 13 GLU C C 174.83 0.1 1 99 . 13 GLU CA C 55.67 0.1 1 100 . 13 GLU CB C 29.39 0.1 1 101 . 14 ASN N N 114.937 0.1 1 102 . 14 ASN H H 8.901 0.01 1 103 . 14 ASN HA H 4.359 0.01 1 104 . 14 ASN HB2 H 3.077 0.01 2 105 . 14 ASN HB3 H 2.818 0.01 2 106 . 14 ASN C C 174.15 0.1 1 107 . 14 ASN CA C 53.57 0.1 1 108 . 14 ASN CB C 37.44 0.1 1 109 . 15 GLU N N 119.337 0.1 1 110 . 15 GLU H H 8.8361 0.01 1 111 . 15 GLU HA H 4.197 0.01 1 112 . 15 GLU HB2 H 2.158 0.01 2 113 . 15 GLU HB3 H 1.988 0.01 2 114 . 15 GLU HG2 H 2.415 0.01 2 115 . 15 GLU HG3 H 2.2 0.01 2 116 . 15 GLU C C 175.78 0.1 1 117 . 15 GLU CA C 58.16 0.1 1 118 . 15 GLU CB C 30.82 0.1 1 119 . 15 GLU CG C 37.42 0.1 1 120 . 16 LYS N N 120.529 0.1 1 121 . 16 LYS H H 8.2646 0.01 1 122 . 16 LYS HA H 4.677 0.01 1 123 . 16 LYS HB2 H 1.955 0.01 2 124 . 16 LYS HB3 H 1.716 0.01 2 125 . 16 LYS HG2 H 1.485 0.01 2 126 . 16 LYS C C 176.05 0.1 1 127 . 16 LYS CA C 54.28 0.1 1 128 . 16 LYS CB C 33.94 0.1 1 129 . 17 GLY N N 108.573 0.1 1 130 . 17 GLY H H 8.1948 0.01 1 131 . 17 GLY HA2 H 3.897 0.01 2 132 . 17 GLY HA3 H 3.696 0.01 2 133 . 17 GLY C C 172.25 0.1 1 134 . 17 GLY CA C 44.33 0.1 1 135 . 18 GLU N N 120.789 0.1 1 136 . 18 GLU H H 8.1122 0.01 1 137 . 18 GLU HA H 4.253 0.01 1 138 . 18 GLU HB2 H 1.861 0.01 2 139 . 18 GLU HB3 H 1.757 0.01 2 140 . 18 GLU HG2 H 2.211 0.01 2 141 . 18 GLU HG3 H 2.111 0.01 2 142 . 18 GLU C C 174.96 0.1 1 143 . 18 GLU CA C 55.87 0.1 1 144 . 18 GLU CB C 30.23 0.1 1 145 . 18 GLU CG C 36.1 0.1 1 146 . 19 PHE N N 122.104 0.1 1 147 . 19 PHE H H 8.5254 0.01 1 148 . 19 PHE HA H 4.2196 0.01 1 149 . 19 PHE HB2 H 2.756 0.01 2 150 . 19 PHE HB3 H 2.587 0.01 2 151 . 19 PHE HD1 H 7.036 0.01 1 152 . 19 PHE HD2 H 7.036 0.01 1 153 . 19 PHE HE1 H 7.167 0.01 1 154 . 19 PHE HE2 H 7.167 0.01 1 155 . 19 PHE HZ H 7.208 0.01 1 156 . 19 PHE CA C 56.28 0.1 1 157 . 19 PHE CB C 41.09 0.1 1 158 . 20 PRO C C 175.38 0.1 1 159 . 20 PRO CA C 61.96 0.1 1 160 . 20 PRO CB C 35.59 0.1 1 161 . 21 LYS N N 120.636 0.1 1 162 . 21 LYS H H 8.7524 0.01 1 163 . 21 LYS HA H 4.589 0.01 1 164 . 21 LYS HB2 H 1.72 0.01 2 165 . 21 LYS HB3 H 1.65 0.01 2 166 . 21 LYS C C 175.38 0.1 1 167 . 21 LYS CA C 54.66 0.1 1 168 . 21 LYS CB C 35.33 0.1 1 169 . 22 ASN N N 123.788 0.1 1 170 . 22 ASN H H 8.7541 0.01 1 171 . 22 ASN HA H 4.538 0.01 1 172 . 22 ASN HB2 H 2.41 0.01 2 173 . 22 ASN HB3 H 2.275 0.01 2 174 . 22 ASN C C 175.42 0.1 1 175 . 22 ASN CA C 53.8 0.1 1 176 . 22 ASN CB C 38.07 0.1 1 177 . 23 LEU N N 122.144 0.1 1 178 . 23 LEU H H 9.6163 0.01 1 179 . 23 LEU HG H 1.788 0.01 1 180 . 23 LEU C C 175.78 0.1 1 181 . 23 LEU CA C 55.79 0.1 1 182 . 23 LEU CB C 43.79 0.1 1 183 . 24 VAL N N 114.03 0.1 1 184 . 24 VAL H H 7.568 0.01 1 185 . 24 VAL HA H 4.454 0.01 1 186 . 24 VAL HB H 2.18 0.01 1 187 . 24 VAL HG1 H 0.833 0.01 2 188 . 24 VAL HG2 H 0.747 0.01 2 189 . 24 VAL C C 169.84 0.1 1 190 . 24 VAL CA C 60.08 0.1 1 191 . 24 VAL CB C 33.87 0.1 1 192 . 24 VAL CG1 C 20.49 0.1 2 193 . 24 VAL CG2 C 19.9 0.1 2 194 . 25 GLN N N 127.72 0.1 1 195 . 25 GLN H H 8.0687 0.01 1 196 . 25 GLN HA H 3.811 0.01 1 197 . 25 GLN HB2 H 1.117 0.01 2 198 . 25 GLN HG2 H 0.74 0.01 2 199 . 25 GLN HG3 H -1.082 0.01 2 200 . 25 GLN C C 174.19 0.1 1 201 . 25 GLN CA C 53.47 0.1 1 202 . 25 GLN CB C 27.21 0.1 1 203 . 26 ILE N N 130.685 0.1 1 204 . 26 ILE H H 8.2715 0.01 1 205 . 26 ILE HA H 3.733 0.01 1 206 . 26 ILE HB H 1.562 0.01 1 207 . 26 ILE HG12 H 1.142 0.01 2 208 . 26 ILE HG13 H 1.005 0.01 2 209 . 26 ILE HG2 H 0.646 0.01 1 210 . 26 ILE HD1 H 0.58 0.01 1 211 . 26 ILE C C 173.34 0.1 1 212 . 26 ILE CA C 60.15 0.1 1 213 . 26 ILE CB C 36.25 0.1 1 214 . 26 ILE CD1 C 12.224 0.1 1 215 . 27 LYS N N 122.618 0.1 1 216 . 27 LYS H H 7.531 0.01 1 217 . 27 LYS HA H 4.412 0.01 1 218 . 27 LYS HB2 H 1.529 0.01 2 219 . 27 LYS HB3 H 1.291 0.01 2 220 . 27 LYS HG2 H 1.075 0.01 2 221 . 27 LYS HE2 H 2.803 0.01 2 222 . 27 LYS C C 175.22 0.1 1 223 . 27 LYS CA C 54.57 0.1 1 224 . 27 LYS CB C 35.41 0.1 1 225 . 28 SER N N 118.58 0.1 1 226 . 28 SER H H 8.3417 0.01 1 227 . 28 SER HA H 4.584 0.01 1 228 . 28 SER HB2 H 3.629 0.01 2 229 . 28 SER HB3 H 3.513 0.01 2 230 . 28 SER C C 175.32 0.1 1 231 . 28 SER CA C 56.73 0.1 1 232 . 28 SER CB C 64.06 0.1 1 233 . 29 ASN N N 125.492 0.1 1 234 . 29 ASN H H 9.0877 0.01 1 235 . 29 ASN HA H 4.592 0.01 1 236 . 29 ASN HB2 H 2.774 0.01 2 237 . 29 ASN C C 175.87 0.1 1 238 . 29 ASN CA C 54.05 0.1 1 239 . 29 ASN CB C 38.08 0.1 1 240 . 30 ARG N N 120.596 0.1 1 241 . 30 ARG H H 8.3685 0.01 1 242 . 30 ARG HA H 4.259 0.01 1 243 . 30 ARG HB2 H 1.831 0.01 2 244 . 30 ARG HG2 H 1.56 0.01 2 245 . 30 ARG HD2 H 3.122 0.01 2 246 . 30 ARG C C 175.92 0.1 1 247 . 30 ARG CA C 55.8 0.1 1 248 . 30 ARG CB C 29.19 0.1 1 249 . 31 ASP N N 120.059 0.1 1 250 . 31 ASP H H 7.8975 0.01 1 251 . 31 ASP HA H 4.258 0.01 1 252 . 31 ASP HB2 H 2.916 0.01 2 253 . 31 ASP HB3 H 2.594 0.01 2 254 . 31 ASP C C 176.65 0.1 1 255 . 31 ASP CA C 54.4 0.1 1 256 . 31 ASP CB C 40.43 0.1 1 257 . 32 LYS N N 119.115 0.1 1 258 . 32 LYS H H 7.7625 0.01 1 259 . 32 LYS HA H 4.2204 0.01 1 260 . 32 LYS HB2 H 1.839 0.01 2 261 . 32 LYS HB3 H 1.686 0.01 2 262 . 32 LYS HG2 H 1.478 0.01 2 263 . 32 LYS HG3 H 1.383 0.01 2 264 . 32 LYS HE2 H 3.019 0.01 2 265 . 32 LYS C C 177.08 0.1 1 266 . 32 LYS CA C 56.79 0.1 1 267 . 32 LYS CB C 32.35 0.1 1 268 . 33 GLU N N 118.69 0.1 1 269 . 33 GLU H H 8.125 0.01 1 270 . 33 GLU HA H 4.318 0.01 1 271 . 33 GLU HB2 H 2.091 0.01 2 272 . 33 GLU HB3 H 1.981 0.01 2 273 . 33 GLU HG2 H 2.214 0.01 1 274 . 33 GLU HG3 H 2.214 0.01 1 275 . 33 GLU C C 175.71 0.1 1 276 . 33 GLU CA C 56.53 0.1 1 277 . 33 GLU CB C 30.7 0.1 1 278 . 33 GLU CG C 35.91 0.1 1 279 . 34 THR N N 115.777 0.1 1 280 . 34 THR H H 7.7578 0.01 1 281 . 34 THR HA H 4.33 0.01 1 282 . 34 THR HB H 3.968 0.01 1 283 . 34 THR HG2 H 0.983 0.01 1 284 . 34 THR C C 171.6 0.1 1 285 . 34 THR CA C 60.25 0.1 1 286 . 34 THR CB C 69.92 0.1 1 287 . 35 LYS N N 124.762 0.1 1 288 . 35 LYS H H 7.9303 0.01 1 289 . 35 LYS HA H 4.216 0.01 1 290 . 35 LYS HB2 H 1.662 0.01 2 291 . 35 LYS HG2 H 1.157 0.01 2 292 . 35 LYS HG3 H 1.054 0.01 2 293 . 35 LYS C C 174.91 0.1 1 294 . 35 LYS CA C 56.04 0.1 1 295 . 35 LYS CB C 32.06 0.1 1 296 . 36 VAL N N 124.637 0.1 1 297 . 36 VAL H H 7.7925 0.01 1 298 . 36 VAL HA H 4.257 0.01 1 299 . 36 VAL HB H 1.522 0.01 1 300 . 36 VAL HG1 H 0.552 0.01 2 301 . 36 VAL HG2 H 0.289 0.01 2 302 . 36 VAL C C 172.73 0.1 1 303 . 36 VAL CA C 60.09 0.1 1 304 . 36 VAL CB C 34.06 0.1 1 305 . 36 VAL CG1 C 21.51 0.1 2 306 . 36 VAL CG2 C 22.52 0.1 2 307 . 37 PHE N N 122.836 0.1 1 308 . 37 PHE H H 8.8536 0.01 1 309 . 37 PHE HA H 5.041 0.01 1 310 . 37 PHE HB2 H 2.86 0.01 2 311 . 37 PHE HB3 H 2.584 0.01 2 312 . 37 PHE HD1 H 7.028 0.01 1 313 . 37 PHE HD2 H 7.028 0.01 1 314 . 37 PHE HE1 H 7.117 0.01 1 315 . 37 PHE HE2 H 7.117 0.01 1 316 . 37 PHE HZ H 6.905 0.01 1 317 . 37 PHE C C 175.41 0.1 1 318 . 37 PHE CA C 54.99 0.1 1 319 . 37 PHE CB C 41.03 0.1 1 320 . 38 TYR N N 122.469 0.1 1 321 . 38 TYR H H 9.492 0.01 1 322 . 38 TYR HA H 5.6574 0.01 1 323 . 38 TYR HB2 H 3.034 0.01 2 324 . 38 TYR HB3 H 2.763 0.01 2 325 . 38 TYR HD1 H 7.058 0.01 1 326 . 38 TYR HD2 H 7.058 0.01 1 327 . 38 TYR HE1 H 6.49 0.01 1 328 . 38 TYR HE2 H 6.49 0.01 1 329 . 38 TYR C C 175.7 0.1 1 330 . 38 TYR CA C 58.01 0.1 1 331 . 38 TYR CB C 41.59 0.1 1 332 . 39 SER N N 114.047 0.1 1 333 . 39 SER H H 8.7987 0.01 1 334 . 39 SER HA H 4.77 0.01 1 335 . 39 SER HB2 H 3.954 0.01 2 336 . 39 SER HB3 H 3.927 0.01 2 337 . 39 SER C C 172.74 0.1 1 338 . 39 SER CA C 57.26 0.1 1 339 . 39 SER CB C 65.63 0.1 1 340 . 40 ILE N N 114.769 0.1 1 341 . 40 ILE H H 8.6398 0.01 1 342 . 40 ILE HA H 6.086 0.01 1 343 . 40 ILE HB H 1.599 0.01 1 344 . 40 ILE C C 174.64 0.1 1 345 . 40 ILE CA C 58.25 0.1 1 346 . 40 ILE CB C 43.81 0.1 1 347 . 41 THR N N 114.368 0.1 1 348 . 41 THR H H 9.3532 0.01 1 349 . 41 THR HA H 4.945 0.01 1 350 . 41 THR HB H 4.57 0.01 1 351 . 41 THR HG2 H 1.17 0.01 1 352 . 41 THR C C 172.73 0.1 1 353 . 41 THR CA C 59.18 0.1 1 354 . 41 THR CB C 72.43 0.1 1 355 . 42 GLY N N 108.057 0.1 1 356 . 42 GLY H H 9.5333 0.01 1 357 . 42 GLY HA2 H 5.188 0.01 2 358 . 42 GLY HA3 H 4.075 0.01 2 359 . 42 GLY C C 174.84 0.1 1 360 . 42 GLY CA C 43.25 0.1 1 361 . 43 GLN N N 123.778 0.1 1 362 . 43 GLN H H 8.9627 0.01 1 363 . 43 GLN HA H 3.984 0.01 1 364 . 43 GLN HB2 H 2.391 0.01 1 365 . 43 GLN HB3 H 2.391 0.01 1 366 . 43 GLN HG2 H 2.707 0.01 1 367 . 43 GLN HG3 H 2.707 0.01 1 368 . 43 GLN C C 174.88 0.1 1 369 . 43 GLN CA C 57.65 0.1 1 370 . 43 GLN CB C 28.16 0.1 1 371 . 44 GLY N N 114.34 0.1 1 372 . 44 GLY H H 7.9644 0.01 1 373 . 44 GLY HA2 H 4.25 0.01 2 374 . 44 GLY C C 172.32 0.1 1 375 . 44 GLY CA C 45.15 0.1 1 376 . 45 ALA N N 124.278 0.1 1 377 . 45 ALA H H 8.5204 0.01 1 378 . 45 ALA HA H 5.2935 0.01 1 379 . 45 ALA HB H 1.349 0.01 1 380 . 45 ALA C C 175.22 0.1 1 381 . 45 ALA CA C 51.51 0.1 1 382 . 45 ALA CB C 18.81 0.1 1 383 . 46 ASP N N 117.849 0.1 1 384 . 46 ASP H H 9.0885 0.01 1 385 . 46 ASP HA H 4.797 0.01 1 386 . 46 ASP HB2 H 3.001 0.01 2 387 . 46 ASP HB3 H 2.876 0.01 2 388 . 46 ASP C C 175.1 0.1 1 389 . 46 ASP CA C 53.43 0.1 1 390 . 46 ASP CB C 40.21 0.1 1 391 . 47 LYS N N 122.817 0.1 1 392 . 47 LYS H H 7.8526 0.01 1 393 . 47 LYS HA H 4.884 0.01 1 394 . 47 LYS HB2 H 2.009 0.01 2 395 . 47 LYS HG2 H 1.349 0.01 2 396 . 47 LYS HG3 H 1.3 0.01 2 397 . 47 LYS CA C 52.31 0.1 1 398 . 47 LYS CB C 32.68 0.1 1 399 . 49 PRO C C 174 0.1 1 400 . 49 PRO CA C 61.84 0.1 1 401 . 49 PRO CB C 32.63 0.1 1 402 . 50 VAL N N 124.057 0.1 1 403 . 50 VAL H H 8.2283 0.01 1 404 . 50 VAL HA H 3.461 0.01 1 405 . 50 VAL HB H 1.899 0.01 1 406 . 50 VAL HG1 H 0.899 0.01 2 407 . 50 VAL HG2 H 0.803 0.01 2 408 . 50 VAL C C 179.52 0.1 1 409 . 50 VAL CA C 62.84 0.1 1 410 . 50 VAL CB C 32.17 0.1 1 411 . 50 VAL CG1 C 19.36 0.1 2 412 . 51 GLY N N 112.096 0.1 1 413 . 51 GLY H H 9.1571 0.01 1 414 . 51 GLY HA2 H 3.862 0.01 2 415 . 51 GLY HA3 H 3.607 0.01 2 416 . 51 GLY C C 173.91 0.1 1 417 . 51 GLY CA C 45.76 0.1 1 418 . 52 VAL N N 125.111 0.1 1 419 . 52 VAL H H 7.6529 0.01 1 420 . 52 VAL HA H 3.021 0.01 1 421 . 52 VAL HB H 1.974 0.01 1 422 . 52 VAL HG1 H 0.733 0.01 2 423 . 52 VAL HG2 H -0.019 0.01 2 424 . 52 VAL C C 173.93 0.1 1 425 . 52 VAL CA C 66.25 0.1 1 426 . 52 VAL CB C 31.14 0.1 1 427 . 52 VAL CG1 C 22.62 0.1 2 428 . 52 VAL CG2 C 22 0.1 2 429 . 53 PHE N N 115.912 0.1 1 430 . 53 PHE H H 8.3465 0.01 1 431 . 53 PHE HA H 5.506 0.01 1 432 . 53 PHE HB2 H 2.72 0.01 2 433 . 53 PHE HB3 H 2.211 0.01 2 434 . 53 PHE HD1 H 6.742 0.01 1 435 . 53 PHE HD2 H 6.742 0.01 1 436 . 53 PHE HE1 H 6.106 0.01 1 437 . 53 PHE HE2 H 6.106 0.01 1 438 . 53 PHE HZ H 6.452 0.01 1 439 . 53 PHE C C 174.76 0.1 1 440 . 53 PHE CA C 55.26 0.1 1 441 . 53 PHE CB C 41.84 0.1 1 442 . 54 ILE N N 113.984 0.1 1 443 . 54 ILE H H 8.6102 0.01 1 444 . 54 ILE HA H 4.726 0.01 1 445 . 54 ILE HB H 1.897 0.01 1 446 . 54 ILE HG12 H 0.863 0.01 2 447 . 54 ILE HG2 H 0.799 0.01 1 448 . 54 ILE C C 172.99 0.1 1 449 . 54 ILE CA C 58.39 0.1 1 450 . 54 ILE CB C 42.48 0.1 1 451 . 55 ILE N N 121.239 0.1 1 452 . 55 ILE H H 8.773 0.01 1 453 . 55 ILE HA H 5.6058 0.01 1 454 . 55 ILE HB H 1.912 0.01 1 455 . 55 ILE HG12 H 1.093 0.01 2 456 . 55 ILE HG2 H 0.849 0.01 1 457 . 55 ILE C C 173.55 0.1 1 458 . 55 ILE CA C 57.69 0.1 1 459 . 55 ILE CB C 43.12 0.1 1 460 . 55 ILE CG1 C 16.89 0.1 1 461 . 56 GLU N N 129.878 0.1 1 462 . 56 GLU H H 8.5599 0.01 1 463 . 56 GLU HA H 4.4837 0.01 1 464 . 56 GLU HB2 H 2.147 0.01 1 465 . 56 GLU HB3 H 2.147 0.01 1 466 . 56 GLU HG2 H 2.532 0.01 2 467 . 56 GLU HG3 H 2.459 0.01 2 468 . 56 GLU C C 177.12 0.1 1 469 . 56 GLU CA C 56.09 0.1 1 470 . 56 GLU CB C 30.1 0.1 1 471 . 56 GLU CG C 36.72 0.1 1 472 . 57 ARG N N 130.008 0.1 1 473 . 57 ARG H H 8.8412 0.01 1 474 . 57 ARG HA H 4.5043 0.01 1 475 . 57 ARG C C 177.25 0.1 1 476 . 57 ARG CA C 59.14 0.1 1 477 . 57 ARG CB C 30.64 0.1 1 478 . 58 GLU N N 111.978 0.1 1 479 . 58 GLU H H 9.1497 0.01 1 480 . 58 GLU HA H 4.821 0.01 1 481 . 58 GLU HB2 H 2.362 0.01 2 482 . 58 GLU HB3 H 2.2031 0.01 2 483 . 58 GLU HG2 H 2.518 0.01 2 484 . 58 GLU HG3 H 2.481 0.01 2 485 . 58 GLU C C 177.99 0.1 1 486 . 58 GLU CA C 57.64 0.1 1 487 . 58 GLU CB C 30.73 0.1 1 488 . 58 GLU CG C 37.95 0.1 1 489 . 59 THR N N 106.397 0.1 1 490 . 59 THR H H 7.4757 0.01 1 491 . 59 THR HA H 4.702 0.01 1 492 . 59 THR HB H 4.021 0.01 1 493 . 59 THR HG2 H 1.164 0.01 1 494 . 59 THR C C 175.98 0.1 1 495 . 59 THR CA C 61.54 0.1 1 496 . 59 THR CB C 70.34 0.1 1 497 . 60 GLY N N 111.244 0.1 1 498 . 60 GLY H H 8.3727 0.01 1 499 . 60 GLY HA2 H 4.02 0.01 2 500 . 60 GLY HA3 H 2.81 0.01 2 501 . 60 GLY C C 174.33 0.1 1 502 . 60 GLY CA C 45.03 0.1 1 503 . 61 TRP N N 119.514 0.1 1 504 . 61 TRP H H 7.6678 0.01 1 505 . 61 TRP HA H 4.398 0.01 1 506 . 61 TRP HB2 H 2.889 0.01 2 507 . 61 TRP HD1 H 7.12 0.01 1 508 . 61 TRP HE1 H 9.9246 0.01 1 509 . 61 TRP HE3 H 7.571 0.01 1 510 . 61 TRP HZ2 H 7.338 0.01 1 511 . 61 TRP HZ3 H 6.951 0.01 1 512 . 61 TRP HH2 H 7.003 0.01 1 513 . 61 TRP C C 173.98 0.1 1 514 . 61 TRP CA C 60.09 0.1 1 515 . 61 TRP CB C 28.71 0.1 1 516 . 62 LEU N N 131.972 0.1 1 517 . 62 LEU H H 9.3549 0.01 1 518 . 62 LEU HA H 5.0376 0.01 1 519 . 62 LEU HB2 H 2.23 0.01 2 520 . 62 LEU HB3 H 1.28 0.01 2 521 . 62 LEU C C 175.55 0.1 1 522 . 62 LEU CA C 54.43 0.1 1 523 . 62 LEU CB C 43.52 0.1 1 524 . 63 LYS N N 126.379 0.1 1 525 . 63 LYS H H 9.6108 0.01 1 526 . 63 LYS HA H 5.5101 0.01 1 527 . 63 LYS HB2 H 1.457 0.01 2 528 . 63 LYS HG2 H 1.61 0.01 2 529 . 63 LYS C C 174.03 0.1 1 530 . 63 LYS CA C 54.22 0.1 1 531 . 63 LYS CB C 36.71 0.1 1 532 . 64 VAL N N 119.349 0.1 1 533 . 64 VAL H H 8.8527 0.01 1 534 . 64 VAL HA H 5.34 0.01 1 535 . 64 VAL HB H 2.128 0.01 1 536 . 64 VAL HG1 H 1.243 0.01 2 537 . 64 VAL HG2 H 1.008 0.01 2 538 . 64 VAL C C 176.54 0.1 1 539 . 64 VAL CA C 57.94 0.1 1 540 . 64 VAL CB C 34.67 0.1 1 541 . 64 VAL CG2 C 22.49 0.1 2 542 . 65 THR N N 116.368 0.1 1 543 . 65 THR H H 9.1403 0.01 1 544 . 65 THR HA H 4.164 0.01 1 545 . 65 THR HB H 4.481 0.01 1 546 . 65 THR HG2 H 0.94 0.01 1 547 . 65 THR C C 172.81 0.1 1 548 . 65 THR CA C 62.87 0.1 1 549 . 65 THR CB C 69.66 0.1 1 550 . 66 GLN N N 118.218 0.1 1 551 . 66 GLN H H 7.1344 0.01 1 552 . 66 GLN HA H 3.598 0.01 1 553 . 66 GLN HB2 H 1.924 0.01 2 554 . 66 GLN HB3 H 1.832 0.01 2 555 . 66 GLN CA C 52.07 0.1 1 556 . 66 GLN CB C 29.52 0.1 1 557 . 67 PRO HA H 4.362 0.01 1 558 . 67 PRO HB2 H 1.971 0.01 2 559 . 67 PRO HB3 H 1.844 0.01 2 560 . 67 PRO C C 176.18 0.1 1 561 . 67 PRO CA C 61.95 0.1 1 562 . 67 PRO CB C 31.81 0.1 1 563 . 68 LEU N N 123.638 0.1 1 564 . 68 LEU H H 9.3033 0.01 1 565 . 68 LEU HA H 4.588 0.01 1 566 . 68 LEU CA C 53.39 0.1 1 567 . 68 LEU CB C 43.44 0.1 1 568 . 69 ASP N N 119.918 0.1 1 569 . 69 ASP H H 8.4364 0.01 1 570 . 69 ASP HA H 5.021 0.01 1 571 . 69 ASP HB2 H 2.862 0.01 2 572 . 69 ASP HB3 H 2.611 0.01 2 573 . 69 ASP C C 176.53 0.1 1 574 . 69 ASP CA C 52.68 0.1 1 575 . 69 ASP CB C 42.14 0.1 1 576 . 70 ARG N N 128.521 0.1 1 577 . 70 ARG H H 9.1298 0.01 1 578 . 70 ARG HA H 3.931 0.01 1 579 . 70 ARG HB2 H 1.707 0.01 2 580 . 70 ARG HB3 H 1.657 0.01 2 581 . 70 ARG C C 175.99 0.1 1 582 . 70 ARG CA C 58.25 0.1 1 583 . 70 ARG CB C 30.37 0.1 1 584 . 71 GLU N N 116.174 0.1 1 585 . 71 GLU H H 8.0421 0.01 1 586 . 71 GLU HA H 3.929 0.01 1 587 . 71 GLU HB2 H 2.124 0.01 2 588 . 71 GLU HB3 H 2.036 0.01 2 589 . 71 GLU HG2 H 2.325 0.01 1 590 . 71 GLU HG3 H 2.325 0.01 1 591 . 71 GLU C C 176.56 0.1 1 592 . 71 GLU CA C 57.97 0.1 1 593 . 71 GLU CB C 28.77 0.1 1 594 . 71 GLU CG C 37.03 0.1 1 595 . 72 ALA N N 122.449 0.1 1 596 . 72 ALA H H 7.273 0.01 1 597 . 72 ALA HA H 4.3495 0.01 1 598 . 72 ALA HB H 1.51 0.01 1 599 . 72 ALA C C 177.12 0.1 1 600 . 72 ALA CA C 53.51 0.1 1 601 . 72 ALA CB C 18.87 0.1 1 602 . 73 ILE N N 116.595 0.1 1 603 . 73 ILE H H 7.2309 0.01 1 604 . 73 ILE HA H 3.901 0.01 1 605 . 73 ILE HB H 1.609 0.01 1 606 . 73 ILE HG12 H 0.81 0.01 2 607 . 73 ILE HG2 H 0.844 0.01 1 608 . 73 ILE HD1 H 0.068 0.01 1 609 . 73 ILE C C 174 0.1 1 610 . 73 ILE CA C 61.61 0.1 1 611 . 73 ILE CB C 41.13 0.1 1 612 . 73 ILE CD1 C 16.71 0.1 1 613 . 74 ALA N N 127.787 0.1 1 614 . 74 ALA H H 8.4612 0.01 1 615 . 74 ALA HA H 4.49 0.01 1 616 . 74 ALA HB H 1.492 0.01 1 617 . 74 ALA C C 176.53 0.1 1 618 . 74 ALA CA C 52.5 0.1 1 619 . 74 ALA CB C 19.52 0.1 1 620 . 75 LYS N N 119.194 0.1 1 621 . 75 LYS H H 7.1307 0.01 1 622 . 75 LYS HA H 5.25 0.01 1 623 . 75 LYS HB2 H 1.713 0.01 2 624 . 75 LYS HB3 H 1.587 0.01 2 625 . 75 LYS HG2 H 1.29 0.01 2 626 . 75 LYS HG3 H 1.135 0.01 2 627 . 75 LYS HE2 H 2.81 0.01 2 628 . 75 LYS C C 173.16 0.1 1 629 . 75 LYS CA C 54.96 0.1 1 630 . 75 LYS CB C 35.26 0.1 1 631 . 76 TYR N N 125.328 0.1 1 632 . 76 TYR H H 9.482 0.01 1 633 . 76 TYR HB2 H 2.802 0.01 2 634 . 76 TYR HD1 H 7.143 0.01 1 635 . 76 TYR HD2 H 7.143 0.01 1 636 . 76 TYR HE1 H 6.655 0.01 1 637 . 76 TYR HE2 H 6.655 0.01 1 638 . 76 TYR C C 173.75 0.1 1 639 . 76 TYR CA C 56.39 0.1 1 640 . 76 TYR CB C 40.53 0.1 1 641 . 77 ILE N N 122.585 0.1 1 642 . 77 ILE H H 8.6808 0.01 1 643 . 77 ILE HA H 4.077 0.01 1 644 . 77 ILE HB H 1.803 0.01 1 645 . 77 ILE HG12 H 1.563 0.01 2 646 . 77 ILE HG13 H 1.066 0.01 2 647 . 77 ILE HG2 H 0.85 0.01 1 648 . 77 ILE HD1 H 0.614 0.01 1 649 . 77 ILE C C 174.12 0.1 1 650 . 77 ILE CA C 60.53 0.1 1 651 . 77 ILE CB C 38.66 0.1 1 652 . 77 ILE CG2 C 21.18 0.1 1 653 . 77 ILE CD1 C 13.78 0.1 1 654 . 78 LEU N N 127.593 0.1 1 655 . 78 LEU H H 8.9223 0.01 1 656 . 78 LEU HA H 5.136 0.01 1 657 . 78 LEU HB2 H 1.375 0.01 2 658 . 78 LEU HB3 H 1.314 0.01 2 659 . 78 LEU HG H 0.669 0.01 1 660 . 78 LEU HD1 H 0.532 0.01 2 661 . 78 LEU HD2 H 0.466 0.01 2 662 . 78 LEU C C 174.37 0.1 1 663 . 78 LEU CA C 51.59 0.1 1 664 . 78 LEU CB C 45.21 0.1 1 665 . 78 LEU CD1 C 13.77 0.1 2 666 . 79 TYR N N 116.312 0.1 1 667 . 79 TYR H H 8.8639 0.01 1 668 . 79 TYR HA H 5.306 0.01 1 669 . 79 TYR HB2 H 2.811 0.01 2 670 . 79 TYR HB3 H 2.3 0.01 2 671 . 79 TYR HD1 H 6.841 0.01 1 672 . 79 TYR HD2 H 6.841 0.01 1 673 . 79 TYR HE1 H 6.778 0.01 1 674 . 79 TYR HE2 H 6.778 0.01 1 675 . 79 TYR C C 175.31 0.1 1 676 . 79 TYR CA C 56.24 0.1 1 677 . 79 TYR CB C 40.7 0.1 1 678 . 80 SER N N 116.871 0.1 1 679 . 80 SER H H 9.1831 0.01 1 680 . 80 SER HA H 5.456 0.01 1 681 . 80 SER HB2 H 3.696 0.01 2 682 . 80 SER HB3 H 3.549 0.01 2 683 . 80 SER C C 175.4 0.1 1 684 . 80 SER CA C 56.2 0.1 1 685 . 80 SER CB C 65.26 0.1 1 686 . 81 HIS N N 122.938 0.1 1 687 . 81 HIS H H 8.9709 0.01 1 688 . 81 HIS HA H 5.046 0.01 1 689 . 81 HIS HB2 H 3.208 0.01 2 690 . 81 HIS HB3 H 2.84 0.01 2 691 . 81 HIS C C 173.45 0.1 1 692 . 81 HIS CA C 54.33 0.1 1 693 . 81 HIS CB C 31.8 0.1 1 694 . 82 ALA N N 127.258 0.1 1 695 . 82 ALA H H 8.7644 0.01 1 696 . 82 ALA HA H 4.956 0.01 1 697 . 82 ALA HB H 0.903 0.01 1 698 . 82 ALA C C 176.12 0.1 1 699 . 82 ALA CA C 50.3 0.1 1 700 . 82 ALA CB C 20.45 0.1 1 701 . 83 VAL N N 119.86 0.1 1 702 . 83 VAL H H 8.8977 0.01 1 703 . 83 VAL HA H 5.2131 0.01 1 704 . 83 VAL HB H 1.898 0.01 1 705 . 83 VAL HG1 H 0.898 0.01 2 706 . 83 VAL HG2 H 0.829 0.01 2 707 . 83 VAL C C 174.4 0.1 1 708 . 83 VAL CA C 58.47 0.1 1 709 . 83 VAL CB C 35.81 0.1 1 710 . 83 VAL CG1 C 19.36 0.1 2 711 . 83 VAL CG2 C 20.37 0.1 2 712 . 84 SER N N 116.391 0.1 1 713 . 84 SER H H 8.7832 0.01 1 714 . 84 SER HA H 5.107 0.01 1 715 . 84 SER HB2 H 4.405 0.01 2 716 . 84 SER HB3 H 3.857 0.01 2 717 . 84 SER C C 177.34 0.1 1 718 . 84 SER CA C 56.33 0.1 1 719 . 84 SER CB C 64.92 0.1 1 720 . 85 SER N N 117.852 0.1 1 721 . 85 SER H H 9.2929 0.01 1 722 . 85 SER HA H 4.71 0.01 1 723 . 85 SER HB2 H 4.63 0.01 2 724 . 85 SER HB3 H 4.53 0.01 2 725 . 85 SER C C 174.27 0.1 1 726 . 85 SER CA C 61.6 0.1 1 727 . 85 SER CB C 62.48 0.1 1 728 . 86 ASN N N 117.951 0.1 1 729 . 86 ASN H H 7.9915 0.01 1 730 . 86 ASN HA H 4.73 0.01 1 731 . 86 ASN C C 175.77 0.1 1 732 . 86 ASN CA C 52.46 0.1 1 733 . 86 ASN CB C 37.96 0.1 1 734 . 87 GLY N N 108.317 0.1 1 735 . 87 GLY H H 8.035 0.01 1 736 . 87 GLY HA2 H 4.207 0.01 2 737 . 87 GLY HA3 H 3.475 0.01 2 738 . 87 GLY C C 173.5 0.1 1 739 . 87 GLY CA C 45.01 0.1 1 740 . 88 GLU N N 120.965 0.1 1 741 . 88 GLU H H 7.6761 0.01 1 742 . 88 GLU HA H 4.315 0.01 1 743 . 88 GLU HB2 H 2.079 0.01 2 744 . 88 GLU HB3 H 1.981 0.01 2 745 . 88 GLU HG2 H 2.352 0.01 1 746 . 88 GLU HG3 H 2.352 0.01 1 747 . 88 GLU C C 175.5 0.1 1 748 . 88 GLU CA C 55.19 0.1 1 749 . 88 GLU CB C 30.08 0.1 1 750 . 88 GLU CG C 36.44 0.1 1 751 . 89 ALA N N 126.674 0.1 1 752 . 89 ALA H H 8.7392 0.01 1 753 . 89 ALA HA H 4.695 0.01 1 754 . 89 ALA HB H 1.533 0.01 1 755 . 89 ALA C C 178.78 0.1 1 756 . 89 ALA CA C 52.71 0.1 1 757 . 89 ALA CB C 18.31 0.1 1 758 . 90 VAL N N 117.615 0.1 1 759 . 90 VAL H H 8.532 0.01 1 760 . 90 VAL HA H 4.305 0.01 1 761 . 90 VAL HB H 2.041 0.01 1 762 . 90 VAL HG1 H 0.847 0.01 2 763 . 90 VAL HG2 H 0.614 0.01 2 764 . 90 VAL C C 174.47 0.1 1 765 . 90 VAL CA C 61.07 0.1 1 766 . 90 VAL CB C 31.85 0.1 1 767 . 90 VAL CG1 C 19.45 0.1 2 768 . 91 GLU N N 116.774 0.1 1 769 . 91 GLU H H 7.3881 0.01 1 770 . 91 GLU HA H 4.52 0.01 1 771 . 91 GLU HB2 H 2.039 0.01 2 772 . 91 GLU C C 175.79 0.1 1 773 . 91 GLU CA C 53.67 0.1 1 774 . 91 GLU CB C 32.97 0.1 1 775 . 92 ASP N N 123.954 0.1 1 776 . 92 ASP H H 9.0057 0.01 1 777 . 92 ASP HA H 4.929 0.01 1 778 . 92 ASP HB2 H 2.796 0.01 2 779 . 92 ASP HB3 H 2.556 0.01 2 780 . 92 ASP CA C 53.33 0.1 1 781 . 92 ASP CB C 39.21 0.1 1 782 . 93 PRO HA H 4.71 0.01 1 783 . 93 PRO HB2 H 1.985 0.01 2 784 . 93 PRO HB3 H 1.903 0.01 2 785 . 93 PRO HG2 H 2.196 0.01 2 786 . 93 PRO HG3 H 2.371 0.01 2 787 . 93 PRO C C 176.2 0.1 1 788 . 93 PRO CA C 63.21 0.1 1 789 . 93 PRO CB C 31.86 0.1 1 790 . 94 MET N N 124.642 0.1 1 791 . 94 MET H H 8.5305 0.01 1 792 . 94 MET HA H 4.71 0.01 1 793 . 94 MET C C 173.94 0.1 1 794 . 94 MET CA C 53.81 0.1 1 795 . 94 MET CB C 34.92 0.1 1 796 . 95 GLU N N 127.793 0.1 1 797 . 95 GLU H H 8.4762 0.01 1 798 . 95 GLU HA H 3.9 0.01 1 799 . 95 GLU HB2 H 1.715 0.01 2 800 . 95 GLU HB3 H 1.697 0.01 2 801 . 95 GLU HG2 H 1.837 0.01 2 802 . 95 GLU C C 174.42 0.1 1 803 . 95 GLU CA C 56.08 0.1 1 804 . 95 GLU CB C 31.1 0.1 1 805 . 96 ILE N N 130.227 0.1 1 806 . 96 ILE H H 9.14 0.01 1 807 . 96 ILE HA H 4.029 0.01 1 808 . 96 ILE HB H 1.357 0.01 1 809 . 96 ILE HG2 H 0.467 0.01 1 810 . 96 ILE C C 173.25 0.1 1 811 . 96 ILE CA C 59.78 0.1 1 812 . 96 ILE CB C 39.64 0.1 1 813 . 96 ILE CG1 C 16.74 0.1 1 814 . 97 VAL N N 127.015 0.1 1 815 . 97 VAL H H 8.2299 0.01 1 816 . 97 VAL HA H 4.618 0.01 1 817 . 97 VAL HB H 1.805 0.01 1 818 . 97 VAL HG1 H 0.841 0.01 2 819 . 97 VAL HG2 H 0.824 0.01 2 820 . 97 VAL C C 175.12 0.1 1 821 . 97 VAL CA C 60.76 0.1 1 822 . 97 VAL CB C 32.81 0.1 1 823 . 98 ILE N N 128.663 0.1 1 824 . 98 ILE H H 9.0113 0.01 1 825 . 98 ILE HA H 4.815 0.01 1 826 . 98 ILE HB H 1.584 0.01 1 827 . 98 ILE HG12 H 1.012 0.01 2 828 . 98 ILE HG2 H 0.556 0.01 1 829 . 98 ILE HD1 H -0.154 0.01 1 830 . 98 ILE C C 173.39 0.1 1 831 . 98 ILE CA C 59.34 0.1 1 832 . 98 ILE CB C 39.85 0.1 1 833 . 98 ILE CD1 C 13.215 0.1 1 834 . 99 THR N N 122.926 0.1 1 835 . 99 THR H H 8.947 0.01 1 836 . 99 THR HA H 4.74 0.01 1 837 . 99 THR HB H 4.06 0.01 1 838 . 99 THR HG2 H 1.17 0.01 1 839 . 99 THR C C 172.71 0.1 1 840 . 99 THR CA C 61.17 0.1 1 841 . 99 THR CB C 69.8 0.1 1 842 . 100 VAL N N 127.192 0.1 1 843 . 100 VAL H H 8.2739 0.01 1 844 . 100 VAL HA H 5.05 0.01 1 845 . 100 VAL HB H 2.159 0.01 1 846 . 100 VAL HG1 H 1.202 0.01 2 847 . 100 VAL HG2 H 1.043 0.01 2 848 . 100 VAL C C 176.14 0.1 1 849 . 100 VAL CA C 61.02 0.1 1 850 . 100 VAL CB C 32.17 0.1 1 851 . 100 VAL CG1 C 21.74 0.1 2 852 . 100 VAL CG2 C 22.5 0.1 2 853 . 101 THR N N 120.594 0.1 1 854 . 101 THR H H 8.5275 0.01 1 855 . 101 THR HA H 4.583 0.01 1 856 . 101 THR HB H 4.357 0.01 1 857 . 101 THR HG2 H 1.115 0.01 1 858 . 101 THR C C 173.75 0.1 1 859 . 101 THR CA C 60.11 0.1 1 860 . 101 THR CB C 70.06 0.1 1 861 . 102 ASP N N 120.465 0.1 1 862 . 102 ASP H H 8.436 0.01 1 863 . 102 ASP HA H 4.58 0.01 1 864 . 102 ASP HB2 H 2.632 0.01 1 865 . 102 ASP HB3 H 2.632 0.01 1 866 . 102 ASP C C 176.39 0.1 1 867 . 102 ASP CA C 53.88 0.1 1 868 . 102 ASP CB C 41.78 0.1 1 869 . 103 GLN N N 122.815 0.1 1 870 . 103 GLN H H 9.1618 0.01 1 871 . 103 GLN HA H 4.382 0.01 1 872 . 103 GLN HB2 H 2.098 0.01 2 873 . 103 GLN HB3 H 2.06 0.01 2 874 . 103 GLN HG2 H 2.419 0.01 2 875 . 103 GLN HG3 H 2.347 0.01 2 876 . 103 GLN C C 175.62 0.1 1 877 . 103 GLN CA C 56.19 0.1 1 878 . 103 GLN CB C 29.24 0.1 1 879 . 104 ASN N N 121.15 0.1 1 880 . 104 ASN H H 8.7724 0.01 1 881 . 104 ASN C C 174.66 0.1 1 882 . 104 ASN CA C 53.17 0.1 1 883 . 104 ASN CB C 38.71 0.1 1 884 . 105 ASP N N 122.286 0.1 1 885 . 105 ASP H H 8.336 0.01 1 886 . 105 ASP HA H 4.5823 0.01 1 887 . 105 ASP HB2 H 2.665 0.01 1 888 . 105 ASP HB3 H 2.665 0.01 1 889 . 105 ASP C C 175.43 0.1 1 890 . 105 ASP CA C 53.91 0.1 1 891 . 105 ASP CB C 40.71 0.1 1 892 . 106 ASN N N 119.557 0.1 1 893 . 106 ASN H H 8.337 0.01 1 894 . 106 ASN HA H 4.69 0.01 1 895 . 106 ASN HB2 H 2.777 0.01 2 896 . 106 ASN HB3 H 2.68 0.01 2 897 . 106 ASN C C 174.51 0.1 1 898 . 106 ASN CA C 52.84 0.1 1 899 . 106 ASN CB C 38.56 0.1 1 900 . 107 ARG N N 122.747 0.1 1 901 . 107 ARG H H 8.1983 0.01 1 902 . 107 ARG HA H 4.5885 0.01 1 903 . 107 ARG HB2 H 1.86 0.01 2 904 . 107 ARG HB3 H 1.753 0.01 2 905 . 107 ARG HG2 H 1.666 0.01 1 906 . 107 ARG HG3 H 1.666 0.01 1 907 . 107 ARG HD2 H 3.214 0.01 1 908 . 107 ARG HD3 H 3.214 0.01 1 909 . 107 ARG CA C 53.81 0.1 1 910 . 107 ARG CB C 29.79 0.1 1 911 . 108 PRO HA H 4.406 0.01 1 912 . 108 PRO HB2 H 2.26 0.01 2 913 . 108 PRO HB3 H 1.846 0.01 2 914 . 108 PRO HG2 H 2.011 0.01 1 915 . 108 PRO HG3 H 2.011 0.01 1 916 . 108 PRO HD2 H 3.9 0.01 2 917 . 108 PRO HD3 H 3.708 0.01 2 918 . 108 PRO C C 176.55 0.1 1 919 . 108 PRO CA C 62.98 0.1 1 920 . 108 PRO CB C 31.69 0.1 1 921 . 109 GLU N N 121.107 0.1 1 922 . 109 GLU H H 8.624 0.01 1 923 . 109 GLU HA H 4.1606 0.01 1 924 . 109 GLU HB2 H 1.901 0.01 2 925 . 109 GLU HB3 H 1.86 0.01 2 926 . 109 GLU HG2 H 2.2 0.01 2 927 . 109 GLU HG3 H 2.1 0.01 2 928 . 109 GLU C C 175.96 0.1 1 929 . 109 GLU CA C 56.56 0.1 1 930 . 109 GLU CB C 29.76 0.1 1 931 . 109 GLU CG C 35.89 0.1 1 932 . 110 PHE N N 121.135 0.1 1 933 . 110 PHE H H 8.1628 0.01 1 934 . 110 PHE HA H 4.583 0.01 1 935 . 110 PHE HB2 H 3.21 0.01 2 936 . 110 PHE HB3 H 3.037 0.01 2 937 . 110 PHE HD1 H 6.648 0.01 1 938 . 110 PHE HD2 H 6.648 0.01 1 939 . 110 PHE HE1 H 7.16 0.01 1 940 . 110 PHE HE2 H 7.16 0.01 1 941 . 110 PHE HZ H 7.367 0.01 1 942 . 110 PHE C C 175.35 0.1 1 943 . 110 PHE CA C 57.14 0.1 1 944 . 110 PHE CB C 39.18 0.1 1 945 . 111 THR N N 116.801 0.1 1 946 . 111 THR H H 8.0328 0.01 1 947 . 111 THR HA H 4.281 0.01 1 948 . 111 THR HB H 4.161 0.01 1 949 . 111 THR HG2 H 1.169 0.01 1 950 . 111 THR C C 173.62 0.1 1 951 . 111 THR CA C 61.36 0.1 1 952 . 111 THR CB C 69.59 0.1 1 953 . 112 GLN N N 123.321 0.1 1 954 . 112 GLN H H 8.3196 0.01 1 955 . 112 GLN HA H 4.315 0.01 1 956 . 112 GLN HB2 H 2.095 0.01 2 957 . 112 GLN HB3 H 1.984 0.01 2 958 . 112 GLN HG2 H 2.345 0.01 1 959 . 112 GLN HG3 H 2.345 0.01 1 960 . 112 GLN C C 175.31 0.1 1 961 . 112 GLN CA C 55.51 0.1 1 962 . 112 GLN CB C 29.28 0.1 1 963 . 112 GLN CG C 33.5 0.1 1 964 . 113 GLU N N 123.414 0.1 1 965 . 113 GLU H H 8.448 0.01 1 966 . 113 GLU HA H 4.247 0.01 1 967 . 113 GLU HB2 H 2.021 0.01 2 968 . 113 GLU HB3 H 1.908 0.01 2 969 . 113 GLU HG2 H 2.216 0.01 1 970 . 113 GLU HG3 H 2.216 0.01 1 971 . 113 GLU C C 175.79 0.1 1 972 . 113 GLU CA C 56.33 0.1 1 973 . 113 GLU CB C 29.95 0.1 1 974 . 113 GLU CG C 35.88 0.1 1 975 . 114 VAL N N 121.807 0.1 1 976 . 114 VAL H H 8.1075 0.01 1 977 . 114 VAL HA H 4.039 0.01 1 978 . 114 VAL HB H 1.97 0.01 1 979 . 114 VAL HG1 H 0.865 0.01 2 980 . 114 VAL HG2 H 0.84 0.01 2 981 . 114 VAL C C 175.33 0.1 1 982 . 114 VAL CA C 61.76 0.1 1 983 . 114 VAL CB C 32.7 0.1 1 984 . 115 PHE N N 125.174 0.1 1 985 . 115 PHE H H 8.3724 0.01 1 986 . 115 PHE HA H 4.637 0.01 1 987 . 115 PHE HB2 H 3.114 0.01 2 988 . 115 PHE HB3 H 3.02 0.01 2 989 . 115 PHE HD1 H 7.256 0.01 1 990 . 115 PHE HD2 H 7.256 0.01 1 991 . 115 PHE HE1 H 7.336 0.01 1 992 . 115 PHE HE2 H 7.336 0.01 1 993 . 115 PHE HZ H 7.288 0.01 1 994 . 115 PHE C C 175.32 0.1 1 995 . 115 PHE CA C 57.18 0.1 1 996 . 115 PHE CB C 39.48 0.1 1 997 . 116 GLU N N 124.389 0.1 1 998 . 116 GLU H H 8.4437 0.01 1 999 . 116 GLU HA H 4.2303 0.01 1 1000 . 116 GLU HB2 H 1.979 0.01 2 1001 . 116 GLU HB3 H 1.871 0.01 2 1002 . 116 GLU HG2 H 2.186 0.01 1 1003 . 116 GLU HG3 H 2.186 0.01 1 1004 . 116 GLU C C 176.22 0.1 1 1005 . 116 GLU CA C 56.39 0.1 1 1006 . 116 GLU CB C 30.2 0.1 1 1007 . 117 GLY N N 110.227 0.1 1 1008 . 117 GLY H H 7.9794 0.01 1 1009 . 117 GLY HA2 H 4.242 0.01 2 1010 . 117 GLY HA3 H 3.909 0.01 2 1011 . 117 GLY C C 173.66 0.1 1 1012 . 117 GLY CA C 45.04 0.1 1 1013 . 118 SER N N 116.232 0.1 1 1014 . 118 SER H H 8.1866 0.01 1 1015 . 118 SER HA H 4.485 0.01 1 1016 . 118 SER HB2 H 3.84 0.01 2 1017 . 118 SER HB3 H 3.8 0.01 2 1018 . 118 SER C C 174.02 0.1 1 1019 . 118 SER CA C 57.93 0.1 1 1020 . 118 SER CB C 63.56 0.1 1 1021 . 119 VAL N N 122.284 0.1 1 1022 . 119 VAL H H 8.1327 0.01 1 1023 . 119 VAL HA H 4.1091 0.01 1 1024 . 119 VAL HB H 2.067 0.01 1 1025 . 119 VAL HG1 H 0.928 0.01 1 1026 . 119 VAL HG2 H 0.928 0.01 1 1027 . 119 VAL C C 175.64 0.1 1 1028 . 119 VAL CA C 61.97 0.1 1 1029 . 119 VAL CB C 32.47 0.1 1 1030 . 120 ALA N N 128.164 0.1 1 1031 . 120 ALA H H 8.3294 0.01 1 1032 . 120 ALA HA H 4.2861 0.01 1 1033 . 120 ALA HB H 1.356 0.01 1 1034 . 120 ALA C C 177.36 0.1 1 1035 . 120 ALA CA C 52.13 0.1 1 1036 . 120 ALA CB C 18.97 0.1 1 1037 . 121 GLU N N 121.1 0.1 1 1038 . 121 GLU H H 8.3361 0.01 1 1039 . 121 GLU HA H 4.247 0.01 1 1040 . 121 GLU HB2 H 2.059 0.01 2 1041 . 121 GLU HB3 H 1.963 0.01 2 1042 . 121 GLU HG2 H 2.277 0.01 1 1043 . 121 GLU HG3 H 2.277 0.01 1 1044 . 121 GLU C C 176.75 0.1 1 1045 . 121 GLU CA C 56.6 0.1 1 1046 . 121 GLU CB C 29.97 0.1 1 1047 . 121 GLU CG C 35.95 0.1 1 1048 . 122 GLY N N 110.757 0.1 1 1049 . 122 GLY H H 8.386 0.01 1 1050 . 122 GLY HA2 H 4.223 0.01 2 1051 . 122 GLY HA3 H 3.92 0.01 2 1052 . 122 GLY C C 173.35 0.1 1 1053 . 122 GLY CA C 44.87 0.1 1 1054 . 123 ALA N N 124.122 0.1 1 1055 . 123 ALA H H 8.0369 0.01 1 1056 . 123 ALA HA H 4.35 0.01 1 1057 . 123 ALA HB H 1.35 0.01 1 1058 . 123 ALA C C 177.24 0.1 1 1059 . 123 ALA CA C 51.96 0.1 1 1060 . 123 ALA CB C 19.18 0.1 1 1061 . 124 VAL N N 121.406 0.1 1 1062 . 124 VAL H H 8.1489 0.01 1 1063 . 124 VAL HA H 4.414 0.01 1 1064 . 124 VAL HB H 2.083 0.01 1 1065 . 124 VAL HG1 H 0.973 0.01 2 1066 . 124 VAL HG2 H 0.95 0.01 2 1067 . 124 VAL CA C 59.55 0.1 1 1068 . 124 VAL CB C 32.27 0.1 1 1069 . 124 VAL CG1 C 20.87 0.1 2 1070 . 125 PRO HA H 4.416 0.01 1 1071 . 125 PRO HB2 H 2.318 0.01 2 1072 . 125 PRO HB3 H 1.96 0.01 2 1073 . 125 PRO HG2 H 2.081 0.01 2 1074 . 125 PRO HG3 H 2.004 0.01 2 1075 . 125 PRO HD2 H 3.9 0.01 2 1076 . 125 PRO HD3 H 3.708 0.01 2 1077 . 125 PRO C C 177.19 0.1 1 1078 . 125 PRO CA C 63.26 0.1 1 1079 . 125 PRO CB C 31.82 0.1 1 1080 . 127 THR N N 113.617 0.1 1 1081 . 127 THR H H 7.9809 0.01 1 1082 . 127 THR HA H 4.374 0.01 1 1083 . 127 THR HB H 4.251 0.01 1 1084 . 127 THR HG2 H 1.203 0.01 1 1085 . 127 THR C C 174.32 0.1 1 1086 . 127 THR CA C 61.52 0.1 1 1087 . 127 THR CB C 69.62 0.1 1 1088 . 128 SER N N 118.921 0.1 1 1089 . 128 SER H H 8.3846 0.01 1 1090 . 128 SER HA H 4.506 0.01 1 1091 . 128 SER HB2 H 3.861 0.01 2 1092 . 128 SER C C 174.31 0.1 1 1093 . 128 SER CA C 58.01 0.1 1 1094 . 128 SER CB C 63.45 0.1 1 1095 . 129 VAL N N 122.208 0.1 1 1096 . 129 VAL H H 8.1805 0.01 1 1097 . 129 VAL HA H 4.132 0.01 1 1098 . 129 VAL HB H 2.086 0.01 1 1099 . 129 VAL HG1 H 0.928 0.01 1 1100 . 129 VAL HG2 H 0.928 0.01 1 1101 . 129 VAL C C 175.64 0.1 1 1102 . 129 VAL CA C 61.93 0.1 1 1103 . 129 VAL CB C 32.49 0.1 1 1104 . 130 MET N N 124.842 0.1 1 1105 . 130 MET H H 8.3658 0.01 1 1106 . 130 MET HA H 4.48 0.01 1 1107 . 130 MET HB2 H 2.037 0.01 2 1108 . 130 MET HB3 H 2.003 0.01 2 1109 . 130 MET HG2 H 2.589 0.01 2 1110 . 130 MET HG3 H 2.527 0.01 2 1111 . 130 MET C C 175.48 0.1 1 1112 . 130 MET CA C 55.06 0.1 1 1113 . 130 MET CB C 32.58 0.1 1 1114 . 130 MET CG C 31.61 0.1 1 1115 . 131 LYS N N 124.43 0.01 1 1116 . 131 LYS H H 8.3467 0.01 1 1117 . 131 LYS HB3 H 1.779 0.01 2 1118 . 131 LYS HG2 H 1.738 0.01 2 1119 . 131 LYS HG3 H 1.397 0.01 2 1120 . 131 LYS C C 175.95 0.1 1 1121 . 131 LYS CA C 55.71 0.1 1 1122 . 131 LYS CB C 32.89 0.1 1 1123 . 132 VAL N N 122.672 0.01 1 1124 . 132 VAL H H 8.2425 0.01 1 1125 . 132 VAL HG2 H 0.927 0.01 2 1126 . 132 VAL C C 175.78 0.1 1 1127 . 132 VAL CA C 61.83 0.1 1 1128 . 132 VAL CB C 32.74 0.1 2 1129 . 133 SER N N 120.445 0.01 1 1130 . 133 SER H H 8.435 0.01 1 1131 . 133 SER HB3 H 3.838 0.01 2 1132 . 133 SER C C 173.84 0.1 1 1133 . 133 SER CA C 57.65 0.1 1 1134 . 134 ALA N N 127.23 0.1 1 1135 . 134 ALA H H 8.4758 0.01 1 1136 . 134 ALA C C 177.6 0.1 1 1137 . 134 ALA CA C 52.39 0.1 1 1138 . 135 THR N N 113.111 0.1 1 1139 . 135 THR H H 8.1616 0.01 1 1140 . 135 THR HA H 4.376 0.01 1 1141 . 135 THR HB H 4.263 0.01 1 1142 . 135 THR HG2 H 1.197 0.01 1 1143 . 135 THR C C 174.11 0.1 1 1144 . 135 THR CA C 61.35 0.1 1 1145 . 135 THR CB C 69.52 0.1 1 1146 . 136 ASP N N 123.222 0.1 1 1147 . 136 ASP H H 8.3022 0.01 1 1148 . 136 ASP HA H 4.6024 0.01 1 1149 . 136 ASP HB2 H 2.668 0.01 1 1150 . 136 ASP HB3 H 2.668 0.01 1 1151 . 136 ASP C C 174.11 0.1 1 1152 . 136 ASP CA C 54.08 0.1 1 1153 . 136 ASP CB C 40.83 0.1 1 1154 . 137 ALA N N 124.73 0.1 1 1155 . 137 ALA H H 8.1838 0.01 1 1156 . 137 ALA HA H 4.299 0.01 1 1157 . 137 ALA HB H 1.38 0.01 1 1158 . 137 ALA C C 177.22 0.1 1 1159 . 137 ALA CA C 52.34 0.1 1 1160 . 137 ALA CB C 19.21 0.1 1 1161 . 138 ASP N N 120.108 0.1 1 1162 . 138 ASP H H 8.2676 0.01 1 1163 . 138 ASP HA H 4.5885 0.01 1 1164 . 138 ASP HB2 H 2.711 0.01 2 1165 . 138 ASP HB3 H 2.627 0.01 2 1166 . 138 ASP C C 175.75 0.1 1 1167 . 138 ASP CA C 54.09 0.1 1 1168 . 138 ASP CB C 40.88 0.1 1 1169 . 139 ASP N N 121.292 0.1 1 1170 . 139 ASP H H 8.2847 0.01 1 1171 . 139 ASP HA H 4.6137 0.01 1 1172 . 139 ASP HB2 H 2.72 0.01 2 1173 . 139 ASP HB3 H 2.627 0.01 2 1174 . 139 ASP C C 175.79 0.1 1 1175 . 139 ASP CA C 54.09 0.1 1 1176 . 139 ASP CB C 40.87 0.1 1 1177 . 140 ASP N N 121.091 0.1 1 1178 . 140 ASP H H 8.166 0.01 1 1179 . 140 ASP HA H 4.5704 0.01 1 1180 . 140 ASP HB2 H 2.658 0.01 1 1181 . 140 ASP HB3 H 2.658 0.01 1 1182 . 140 ASP C C 176.23 0.1 1 1183 . 140 ASP CA C 54.07 0.1 1 1184 . 140 ASP CB C 40.94 0.1 1 1185 . 141 VAL N N 120.44 0.1 1 1186 . 141 VAL H H 8.0298 0.01 1 1187 . 141 VAL HA H 4.0556 0.01 1 1188 . 141 VAL HB H 2.13 0.01 1 1189 . 141 VAL HG1 H 0.929 0.01 1 1190 . 141 VAL HG2 H 0.929 0.01 1 1191 . 141 VAL C C 175.86 0.1 1 1192 . 141 VAL CA C 62.33 0.1 1 1193 . 141 VAL CB C 32.13 0.1 1 1194 . 142 ASN N N 122.042 0.1 1 1195 . 142 ASN H H 8.4661 0.01 1 1196 . 142 ASN HA H 4.728 0.01 1 1197 . 142 ASN HB2 H 2.762 0.01 1 1198 . 142 ASN HB3 H 2.762 0.01 1 1199 . 142 ASN C C 175.07 0.1 1 1200 . 142 ASN CA C 53.07 0.1 1 1201 . 142 ASN CB C 38.74 0.1 1 1202 . 143 THR N N 114.868 0.1 1 1203 . 143 THR H H 7.9852 0.01 1 1204 . 143 THR HA H 4.25 0.01 1 1205 . 143 THR HB H 4.154 0.01 1 1206 . 143 THR HG2 H 1.113 0.01 1 1207 . 143 THR C C 173.91 0.1 1 1208 . 143 THR CA C 61.72 0.1 1 1209 . 143 THR CB C 69.24 0.1 1 1210 . 144 TYR N N 122.906 0.1 1 1211 . 144 TYR H H 8.1735 0.01 1 1212 . 144 TYR HA H 4.542 0.01 1 1213 . 144 TYR HB2 H 3.069 0.01 2 1214 . 144 TYR HB3 H 2.969 0.01 2 1215 . 144 TYR HD1 H 7.121 0.01 1 1216 . 144 TYR HD2 H 7.121 0.01 1 1217 . 144 TYR HE1 H 6.818 0.01 1 1218 . 144 TYR HE2 H 6.818 0.01 1 1219 . 144 TYR C C 175.03 0.1 1 1220 . 144 TYR CA C 57.65 0.1 1 1221 . 144 TYR CB C 38.28 0.1 1 1222 . 145 ASN N N 121.968 0.1 1 1223 . 145 ASN H H 8.2424 0.01 1 1224 . 145 ASN HA H 4.679 0.01 1 1225 . 145 ASN HB2 H 2.738 0.01 2 1226 . 145 ASN HB3 H 2.631 0.01 2 1227 . 145 ASN C C 173.15 0.1 1 1228 . 145 ASN CA C 52.76 0.1 1 1229 . 145 ASN CB C 38.81 0.1 1 1230 . 146 ALA N N 130.417 0.1 1 1231 . 146 ALA H H 7.7617 0.01 1 1232 . 146 ALA HA H 4.07 0.01 1 1233 . 146 ALA HB H 1.316 0.01 1 1234 . 146 ALA CA C 53.49 0.1 1 1235 . 146 ALA CB C 19.82 0.1 1 stop_ save_