data_25970 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the Acidic domain of SYNCRIP (24-140) ; _BMRB_accession_number 25970 _BMRB_flat_file_name bmr25970.str _Entry_type original _Submission_date 2016-02-02 _Accession_date 2016-02-02 _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 Serrano Pedro . . 2 Wuthrich Kurt . . 3 Beuck Christine . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 643 "13C chemical shifts" 478 "15N chemical shifts" 127 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 ; The acidic domain is a unique structural feature of the splicing factor SYNCRIP ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27081926 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Beuck Christine . . 2 Williamson James R. . 3 Wuthrich Kurt . . 4 Serrano Pedro . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 25 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1545 _Page_last 1550 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Acidic domain of SYNCRIP (24-140)' _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 12932.589 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 118 _Mol_residue_sequence ; GSENFQTLLDAGLPQKVAEK LDEIYVAGLVAHSDLDERAI EALKEFNEDGALAVLQQFKD SDLSHVQNKSAFLCGVMKTY RQREKQGTKVADSSKGPDEA KIKALLERTGYTLDVTTG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 GLU 4 ASN 5 PHE 6 GLN 7 THR 8 LEU 9 LEU 10 ASP 11 ALA 12 GLY 13 LEU 14 PRO 15 GLN 16 LYS 17 VAL 18 ALA 19 GLU 20 LYS 21 LEU 22 ASP 23 GLU 24 ILE 25 TYR 26 VAL 27 ALA 28 GLY 29 LEU 30 VAL 31 ALA 32 HIS 33 SER 34 ASP 35 LEU 36 ASP 37 GLU 38 ARG 39 ALA 40 ILE 41 GLU 42 ALA 43 LEU 44 LYS 45 GLU 46 PHE 47 ASN 48 GLU 49 ASP 50 GLY 51 ALA 52 LEU 53 ALA 54 VAL 55 LEU 56 GLN 57 GLN 58 PHE 59 LYS 60 ASP 61 SER 62 ASP 63 LEU 64 SER 65 HIS 66 VAL 67 GLN 68 ASN 69 LYS 70 SER 71 ALA 72 PHE 73 LEU 74 CYS 75 GLY 76 VAL 77 MET 78 LYS 79 THR 80 TYR 81 ARG 82 GLN 83 ARG 84 GLU 85 LYS 86 GLN 87 GLY 88 THR 89 LYS 90 VAL 91 ALA 92 ASP 93 SER 94 SER 95 LYS 96 GLY 97 PRO 98 ASP 99 GLU 100 ALA 101 LYS 102 ILE 103 LYS 104 ALA 105 LEU 106 LEU 107 GLU 108 ARG 109 THR 110 GLY 111 TYR 112 THR 113 LEU 114 ASP 115 VAL 116 THR 117 THR 118 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 Human 9606 Eukaryota Metazoa Homo sapiens 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 $entity 'recombinant technology' . Escherichia coli . pET28b 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 1.2 mM '[U-99% 13C; U-98% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_DYANA _Saveframe_category software _Name DYANA _Version . loop_ _Vendor _Address _Electronic_address 'G??ntert P.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_mbavance601 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_mbavance801 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_APSY_4D-HACANH_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 4D-HACANH' _Sample_label $sample_1 save_ save_APSY_5D-HACACONH_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 5D-HACACONH' _Sample_label $sample_1 save_ save_APSY_5D-CBCACONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 5D-CBCACONH' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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' 0.0798 . M pH 6.0 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $DYANA stop_ loop_ _Experiment_label 'APSY 4D-HACANH' 'APSY 5D-HACACONH' 'APSY 5D-CBCACONH' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' 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 1 1 GLY HA2 H 3.712 0.008 . 2 1 1 GLY HA3 H 3.537 0.008 . 3 1 1 GLY C C 167.632 0.19 . 4 1 1 GLY CA C 40.618 0.19 . 5 2 2 SER H H 9.734 0.008 . 6 2 2 SER HA H 4.503 0.008 . 7 2 2 SER HB2 H 4.104 0.008 . 8 2 2 SER HB3 H 3.922 0.008 . 9 2 2 SER C C 172.832 0.19 . 10 2 2 SER CA C 55.860 0.19 . 11 2 2 SER CB C 61.614 0.19 . 12 2 2 SER N N 118.913 0.14 . 13 3 3 GLU H H 9.164 0.008 . 14 3 3 GLU HA H 4.165 0.008 . 15 3 3 GLU HB2 H 1.952 0.008 . 16 3 3 GLU HB3 H 1.952 0.008 . 17 3 3 GLU HG2 H 2.200 0.008 . 18 3 3 GLU HG3 H 2.200 0.008 . 19 3 3 GLU C C 174.388 0.19 . 20 3 3 GLU CA C 55.637 0.19 . 21 3 3 GLU CB C 26.425 0.19 . 22 3 3 GLU CG C 33.108 0.19 . 23 3 3 GLU N N 121.433 0.14 . 24 4 4 ASN H H 8.445 0.008 . 25 4 4 ASN HA H 4.527 0.008 . 26 4 4 ASN HB2 H 2.443 0.008 . 27 4 4 ASN HB3 H 2.443 0.008 . 28 4 4 ASN HD21 H 6.593 0.008 . 29 4 4 ASN HD22 H 7.606 0.008 . 30 4 4 ASN C C 172.788 0.19 . 31 4 4 ASN CA C 51.560 0.19 . 32 4 4 ASN CB C 36.756 0.19 . 33 4 4 ASN N N 117.480 0.14 . 34 4 4 ASN ND2 N 113.828 0.14 . 35 5 5 PHE H H 7.840 0.008 . 36 5 5 PHE HA H 3.969 0.008 . 37 5 5 PHE HB2 H 2.996 0.008 . 38 5 5 PHE HB3 H 3.204 0.008 . 39 5 5 PHE HD1 H 7.003 0.008 . 40 5 5 PHE HD2 H 7.003 0.008 . 41 5 5 PHE HE1 H 7.164 0.008 . 42 5 5 PHE HE2 H 7.164 0.008 . 43 5 5 PHE CA C 58.734 0.19 . 44 5 5 PHE CB C 36.339 0.19 . 45 5 5 PHE CD1 C 128.714 0.19 . 46 5 5 PHE CD2 C 128.714 0.19 . 47 5 5 PHE CE1 C 128.731 0.19 . 48 5 5 PHE CE2 C 128.731 0.19 . 49 5 5 PHE N N 121.507 0.14 . 50 6 6 GLN H H 8.310 0.008 . 51 6 6 GLN HA H 3.470 0.008 . 52 6 6 GLN HB2 H 2.090 0.008 . 53 6 6 GLN HB3 H 1.950 0.008 . 54 6 6 GLN HG2 H 2.280 0.008 . 55 6 6 GLN HG3 H 2.280 0.008 . 56 6 6 GLN HE21 H 6.726 0.008 . 57 6 6 GLN HE22 H 7.734 0.008 . 58 6 6 GLN C C 174.663 0.19 . 59 6 6 GLN CA C 55.303 0.19 . 60 6 6 GLN CB C 25.480 0.19 . 61 6 6 GLN CG C 30.749 0.19 . 62 6 6 GLN N N 117.776 0.14 . 63 6 6 GLN NE2 N 115.891 0.14 . 64 7 7 THR H H 7.602 0.008 . 65 7 7 THR HA H 3.851 0.008 . 66 7 7 THR HB H 4.091 0.008 . 67 7 7 THR HG2 H 1.108 0.008 . 68 7 7 THR C C 173.957 0.19 . 69 7 7 THR CA C 62.968 0.19 . 70 7 7 THR CB C 65.797 0.19 . 71 7 7 THR CG2 C 19.252 0.19 . 72 7 7 THR N N 114.096 0.14 . 73 8 8 LEU H H 7.476 0.008 . 74 8 8 LEU HA H 3.882 0.008 . 75 8 8 LEU HB2 H 1.040 0.008 . 76 8 8 LEU HB3 H 1.932 0.008 . 77 8 8 LEU HG H 1.803 0.008 . 78 8 8 LEU HD1 H 0.744 0.008 . 79 8 8 LEU HD2 H 0.832 0.008 . 80 8 8 LEU C C 175.887 0.19 . 81 8 8 LEU CA C 54.578 0.19 . 82 8 8 LEU CB C 39.136 0.19 . 83 8 8 LEU CG C 23.495 0.19 . 84 8 8 LEU CD1 C 19.351 0.19 . 85 8 8 LEU CD2 C 23.784 0.19 . 86 8 8 LEU N N 121.797 0.14 . 87 9 9 LEU H H 7.394 0.008 . 88 9 9 LEU HA H 3.995 0.008 . 89 9 9 LEU HB2 H 1.532 0.008 . 90 9 9 LEU HB3 H 1.240 0.008 . 91 9 9 LEU HG H 0.986 0.008 . 92 9 9 LEU HD1 H 0.561 0.008 . 93 9 9 LEU HD2 H 0.525 0.008 . 94 9 9 LEU C C 179.651 0.19 . 95 9 9 LEU CA C 54.274 0.19 . 96 9 9 LEU CB C 38.510 0.19 . 97 9 9 LEU CG C 23.230 0.19 . 98 9 9 LEU CD1 C 22.942 0.19 . 99 9 9 LEU CD2 C 19.843 0.19 . 100 9 9 LEU N N 119.407 0.14 . 101 10 10 ASP H H 8.684 0.008 . 102 10 10 ASP HA H 4.220 0.008 . 103 10 10 ASP HB2 H 2.649 0.008 . 104 10 10 ASP HB3 H 2.564 0.008 . 105 10 10 ASP C C 174.747 0.19 . 106 10 10 ASP CA C 53.817 0.19 . 107 10 10 ASP CB C 37.151 0.19 . 108 10 10 ASP N N 121.973 0.14 . 109 11 11 ALA H H 7.403 0.008 . 110 11 11 ALA HA H 4.200 0.008 . 111 11 11 ALA HB H 1.391 0.008 . 112 11 11 ALA C C 174.573 0.19 . 113 11 11 ALA CA C 49.699 0.19 . 114 11 11 ALA CB C 15.534 0.19 . 115 11 11 ALA N N 121.075 0.14 . 116 12 12 GLY H H 7.821 0.008 . 117 12 12 GLY HA2 H 4.054 0.008 . 118 12 12 GLY HA3 H 3.608 0.008 . 119 12 12 GLY C C 172.185 0.19 . 120 12 12 GLY CA C 42.236 0.19 . 121 12 12 GLY N N 104.003 0.14 . 122 13 13 LEU H H 7.225 0.008 . 123 13 13 LEU HA H 4.357 0.008 . 124 13 13 LEU HB2 H 1.349 0.008 . 125 13 13 LEU HB3 H 0.977 0.008 . 126 13 13 LEU HG H 1.445 0.008 . 127 13 13 LEU HD1 H 0.694 0.008 . 128 13 13 LEU HD2 H 0.716 0.008 . 129 13 13 LEU CA C 50.098 0.19 . 130 13 13 LEU CB C 38.646 0.19 . 131 13 13 LEU CG C 24.552 0.19 . 132 13 13 LEU CD1 C 21.077 0.19 . 133 13 13 LEU CD2 C 23.734 0.19 . 134 13 13 LEU N N 120.491 0.14 . 135 14 14 PRO HA H 4.344 0.008 . 136 14 14 PRO HB2 H 2.493 0.008 . 137 14 14 PRO HB3 H 1.722 0.008 . 138 14 14 PRO HG2 H 2.096 0.008 . 139 14 14 PRO HG3 H 1.961 0.008 . 140 14 14 PRO HD2 H 3.254 0.008 . 141 14 14 PRO HD3 H 3.984 0.008 . 142 14 14 PRO C C 174.614 0.19 . 143 14 14 PRO CA C 59.553 0.19 . 144 14 14 PRO CB C 29.886 0.19 . 145 14 14 PRO CG C 25.421 0.19 . 146 14 14 PRO CD C 47.704 0.19 . 147 15 15 GLN H H 8.826 0.008 . 148 15 15 GLN HA H 3.682 0.008 . 149 15 15 GLN HB2 H 2.221 0.008 . 150 15 15 GLN HB3 H 1.915 0.008 . 151 15 15 GLN HG2 H 2.346 0.008 . 152 15 15 GLN HG3 H 2.296 0.008 . 153 15 15 GLN HE21 H 6.691 0.008 . 154 15 15 GLN HE22 H 7.863 0.008 . 155 15 15 GLN C C 174.841 0.19 . 156 15 15 GLN CA C 57.819 0.19 . 157 15 15 GLN CB C 25.477 0.19 . 158 15 15 GLN CG C 30.003 0.19 . 159 15 15 GLN N N 124.333 0.14 . 160 15 15 GLN NE2 N 111.751 0.14 . 161 16 16 LYS H H 9.287 0.008 . 162 16 16 LYS HA H 4.014 0.008 . 163 16 16 LYS HB2 H 1.681 0.008 . 164 16 16 LYS HB3 H 1.681 0.008 . 165 16 16 LYS HG2 H 1.413 0.008 . 166 16 16 LYS HG3 H 1.534 0.008 . 167 16 16 LYS HD2 H 1.592 0.008 . 168 16 16 LYS HD3 H 1.592 0.008 . 169 16 16 LYS HE2 H 2.864 0.008 . 170 16 16 LYS HE3 H 2.864 0.008 . 171 16 16 LYS C C 176.802 0.19 . 172 16 16 LYS CA C 56.610 0.19 . 173 16 16 LYS CB C 30.008 0.19 . 174 16 16 LYS CG C 23.024 0.19 . 175 16 16 LYS CD C 26.080 0.19 . 176 16 16 LYS CE C 39.311 0.19 . 177 16 16 LYS N N 115.595 0.14 . 178 17 17 VAL H H 7.005 0.008 . 179 17 17 VAL HA H 3.378 0.008 . 180 17 17 VAL HB H 1.986 0.008 . 181 17 17 VAL HG1 H 0.907 0.008 . 182 17 17 VAL HG2 H 0.775 0.008 . 183 17 17 VAL C C 173.947 0.19 . 184 17 17 VAL CA C 62.800 0.19 . 185 17 17 VAL CB C 29.201 0.19 . 186 17 17 VAL CG1 C 20.508 0.19 . 187 17 17 VAL CG2 C 19.353 0.19 . 188 17 17 VAL N N 118.379 0.14 . 189 18 18 ALA H H 8.350 0.008 . 190 18 18 ALA HA H 3.724 0.008 . 191 18 18 ALA HB H 1.095 0.008 . 192 18 18 ALA C C 176.579 0.19 . 193 18 18 ALA CA C 52.454 0.19 . 194 18 18 ALA CB C 15.665 0.19 . 195 18 18 ALA N N 121.741 0.14 . 196 19 19 GLU H H 8.588 0.008 . 197 19 19 GLU HA H 3.904 0.008 . 198 19 19 GLU HB2 H 1.941 0.008 . 199 19 19 GLU HB3 H 2.085 0.008 . 200 19 19 GLU HG2 H 2.559 0.008 . 201 19 19 GLU HG3 H 2.094 0.008 . 202 19 19 GLU C C 176.196 0.19 . 203 19 19 GLU CA C 56.980 0.19 . 204 19 19 GLU CB C 27.433 0.19 . 205 19 19 GLU CG C 34.427 0.19 . 206 19 19 GLU N N 116.150 0.14 . 207 20 20 LYS H H 7.355 0.008 . 208 20 20 LYS HA H 4.063 0.008 . 209 20 20 LYS HB2 H 1.941 0.008 . 210 20 20 LYS HB3 H 2.087 0.008 . 211 20 20 LYS HG2 H 2.087 0.008 . 212 20 20 LYS HG3 H 2.087 0.008 . 213 20 20 LYS HD2 H 1.805 0.008 . 214 20 20 LYS HD3 H 1.805 0.008 . 215 20 20 LYS HE2 H 2.840 0.008 . 216 20 20 LYS C C 175.716 0.19 . 217 20 20 LYS CA C 54.279 0.19 . 218 20 20 LYS CB C 27.588 0.19 . 219 20 20 LYS CG C 27.221 0.19 . 220 20 20 LYS CD C 27.839 0.19 . 221 20 20 LYS CE C 39.084 0.19 . 222 20 20 LYS N N 120.149 0.14 . 223 21 21 LEU H H 8.208 0.008 . 224 21 21 LEU HA H 3.895 0.008 . 225 21 21 LEU HB2 H 1.261 0.008 . 226 21 21 LEU HB3 H 1.456 0.008 . 227 21 21 LEU HG H 1.229 0.008 . 228 21 21 LEU HD1 H 0.554 0.008 . 229 21 21 LEU HD2 H 0.559 0.008 . 230 21 21 LEU C C 175.154 0.19 . 231 21 21 LEU CA C 54.718 0.19 . 232 21 21 LEU CB C 38.390 0.19 . 233 21 21 LEU CG C 24.012 0.19 . 234 21 21 LEU CD1 C 20.322 0.19 . 235 21 21 LEU CD2 C 22.463 0.19 . 236 21 21 LEU N N 120.104 0.14 . 237 22 22 ASP H H 8.381 0.008 . 238 22 22 ASP HA H 4.420 0.008 . 239 22 22 ASP HB2 H 2.684 0.008 . 240 22 22 ASP HB3 H 2.631 0.008 . 241 22 22 ASP C C 175.187 0.19 . 242 22 22 ASP CA C 55.321 0.19 . 243 22 22 ASP CB C 39.434 0.19 . 244 22 22 ASP N N 118.676 0.14 . 245 23 23 GLU H H 7.764 0.008 . 246 23 23 GLU HA H 3.883 0.008 . 247 23 23 GLU HB2 H 2.153 0.008 . 248 23 23 GLU HB3 H 2.220 0.008 . 249 23 23 GLU HG2 H 2.459 0.008 . 250 23 23 GLU HG3 H 2.074 0.008 . 251 23 23 GLU C C 177.135 0.19 . 252 23 23 GLU CA C 56.697 0.19 . 253 23 23 GLU CB C 27.106 0.19 . 254 23 23 GLU CG C 33.899 0.19 . 255 23 23 GLU N N 117.118 0.14 . 256 24 24 ILE H H 7.518 0.008 . 257 24 24 ILE HA H 3.605 0.008 . 258 24 24 ILE HB H 2.196 0.008 . 259 24 24 ILE HG12 H 1.997 0.008 . 260 24 24 ILE HG13 H 0.814 0.008 . 261 24 24 ILE HG2 H 0.883 0.008 . 262 24 24 ILE HD1 H 0.875 0.008 . 263 24 24 ILE C C 174.921 0.19 . 264 24 24 ILE CA C 63.129 0.19 . 265 24 24 ILE CB C 35.032 0.19 . 266 24 24 ILE CG1 C 27.358 0.19 . 267 24 24 ILE CG2 C 15.998 0.19 . 268 24 24 ILE CD1 C 12.385 0.19 . 269 24 24 ILE N N 121.428 0.14 . 270 25 25 TYR H H 7.974 0.008 . 271 25 25 TYR HA H 4.811 0.008 . 272 25 25 TYR HB2 H 3.110 0.008 . 273 25 25 TYR HB3 H 3.343 0.008 . 274 25 25 TYR HD1 H 7.013 0.008 . 275 25 25 TYR HD2 H 7.013 0.008 . 276 25 25 TYR HE1 H 6.492 0.008 . 277 25 25 TYR HE2 H 6.492 0.008 . 278 25 25 TYR C C 179.020 0.19 . 279 25 25 TYR CA C 56.160 0.19 . 280 25 25 TYR CB C 34.550 0.19 . 281 25 25 TYR CD1 C 129.268 0.19 . 282 25 25 TYR CE1 C 115.928 0.19 . 283 25 25 TYR N N 120.882 0.14 . 284 26 26 VAL H H 9.111 0.008 . 285 26 26 VAL HA H 3.592 0.008 . 286 26 26 VAL HB H 2.045 0.008 . 287 26 26 VAL HG1 H 1.042 0.008 . 288 26 26 VAL HG2 H 0.882 0.008 . 289 26 26 VAL C C 175.366 0.19 . 290 26 26 VAL CA C 63.452 0.19 . 291 26 26 VAL CB C 29.139 0.19 . 292 26 26 VAL CG1 C 20.984 0.19 . 293 26 26 VAL CG2 C 18.559 0.19 . 294 26 26 VAL N N 123.442 0.14 . 295 27 27 ALA H H 7.702 0.008 . 296 27 27 ALA HA H 4.199 0.008 . 297 27 27 ALA HB H 1.479 0.008 . 298 27 27 ALA C C 175.626 0.19 . 299 27 27 ALA CA C 50.235 0.19 . 300 27 27 ALA CB C 16.045 0.19 . 301 27 27 ALA N N 120.013 0.14 . 302 28 28 GLY H H 7.924 0.008 . 303 28 28 GLY HA2 H 4.010 0.008 . 304 28 28 GLY HA3 H 3.767 0.008 . 305 28 28 GLY C C 172.331 0.19 . 306 28 28 GLY CA C 42.594 0.19 . 307 28 28 GLY N N 105.510 0.14 . 308 29 29 LEU H H 7.509 0.008 . 309 29 29 LEU HA H 3.997 0.008 . 310 29 29 LEU HB2 H 1.379 0.008 . 311 29 29 LEU HB3 H 1.657 0.008 . 312 29 29 LEU HG H 1.513 0.008 . 313 29 29 LEU HD1 H 0.760 0.008 . 314 29 29 LEU HD2 H 0.888 0.008 . 315 29 29 LEU C C 173.808 0.19 . 316 29 29 LEU CA C 54.193 0.19 . 317 29 29 LEU CB C 39.854 0.19 . 318 29 29 LEU CG C 24.712 0.19 . 319 29 29 LEU CD1 C 20.290 0.19 . 320 29 29 LEU CD2 C 22.968 0.19 . 321 29 29 LEU N N 119.069 0.14 . 322 30 30 VAL H H 7.060 0.008 . 323 30 30 VAL HA H 4.209 0.008 . 324 30 30 VAL HB H 2.035 0.008 . 325 30 30 VAL HG1 H 0.849 0.008 . 326 30 30 VAL HG2 H 0.667 0.008 . 327 30 30 VAL C C 170.255 0.19 . 328 30 30 VAL CA C 56.314 0.19 . 329 30 30 VAL CB C 32.457 0.19 . 330 30 30 VAL CG1 C 19.420 0.19 . 331 30 30 VAL CG2 C 18.037 0.19 . 332 30 30 VAL N N 109.199 0.14 . 333 31 31 ALA H H 8.949 0.008 . 334 31 31 ALA HA H 4.553 0.008 . 335 31 31 ALA HB H 1.282 0.008 . 336 31 31 ALA C C 175.990 0.19 . 337 31 31 ALA CA C 47.468 0.19 . 338 31 31 ALA CB C 18.087 0.19 . 339 31 31 ALA N N 126.162 0.14 . 340 32 32 HIS H H 8.677 0.008 . 341 32 32 HIS HA H 3.985 0.008 . 342 32 32 HIS HB2 H 2.774 0.008 . 343 32 32 HIS HB3 H 2.818 0.008 . 344 32 32 HIS HD2 H 6.891 0.008 . 345 32 32 HIS HE1 H 7.885 0.008 . 346 32 32 HIS C C 174.376 0.19 . 347 32 32 HIS CA C 56.678 0.19 . 348 32 32 HIS CB C 26.589 0.19 . 349 32 32 HIS CD2 C 116.245 0.19 . 350 32 32 HIS CE1 C 134.380 0.19 . 351 32 32 HIS N N 120.709 0.14 . 352 33 33 SER H H 7.810 0.008 . 353 33 33 SER HA H 4.122 0.008 . 354 33 33 SER HB2 H 3.674 0.008 . 355 33 33 SER HB3 H 3.916 0.008 . 356 33 33 SER C C 172.435 0.19 . 357 33 33 SER CA C 56.128 0.19 . 358 33 33 SER CB C 60.021 0.19 . 359 33 33 SER N N 109.944 0.14 . 360 34 34 ASP H H 7.672 0.008 . 361 34 34 ASP HA H 4.514 0.008 . 362 34 34 ASP HB2 H 2.553 0.008 . 363 34 34 ASP HB3 H 2.916 0.008 . 364 34 34 ASP CA C 53.419 0.19 . 365 34 34 ASP CB C 39.634 0.19 . 366 34 34 ASP N N 119.726 0.14 . 367 35 35 LEU H H 7.389 0.008 . 368 35 35 LEU HA H 4.442 0.008 . 369 35 35 LEU HB2 H 1.789 0.008 . 370 35 35 LEU HB3 H 0.973 0.008 . 371 35 35 LEU HG H 1.515 0.008 . 372 35 35 LEU HD1 H 0.567 0.008 . 373 35 35 LEU HD2 H 0.696 0.008 . 374 35 35 LEU CA C 50.320 0.19 . 375 35 35 LEU CB C 38.779 0.19 . 376 35 35 LEU CG C 24.184 0.19 . 377 35 35 LEU CD1 C 20.502 0.19 . 378 35 35 LEU CD2 C 22.866 0.19 . 379 35 35 LEU N N 118.140 0.14 . 380 36 36 ASP H H 8.026 0.008 . 381 36 36 ASP HA H 4.415 0.008 . 382 36 36 ASP HB2 H 2.929 0.008 . 383 36 36 ASP HB3 H 2.612 0.008 . 384 36 36 ASP C C 173.045 0.19 . 385 36 36 ASP CA C 49.807 0.19 . 386 36 36 ASP CB C 39.302 0.19 . 387 36 36 ASP N N 122.935 0.14 . 388 37 37 GLU H H 8.578 0.008 . 389 37 37 GLU HA H 3.817 0.008 . 390 37 37 GLU HB2 H 1.947 0.008 . 391 37 37 GLU HB3 H 1.947 0.008 . 392 37 37 GLU HG2 H 2.243 0.008 . 393 37 37 GLU HG3 H 2.243 0.008 . 394 37 37 GLU C C 175.873 0.19 . 395 37 37 GLU CA C 56.898 0.19 . 396 37 37 GLU CB C 26.560 0.19 . 397 37 37 GLU CG C 33.482 0.19 . 398 37 37 GLU N N 119.313 0.14 . 399 38 38 ARG H H 7.968 0.008 . 400 38 38 ARG HA H 3.923 0.008 . 401 38 38 ARG HB2 H 1.711 0.008 . 402 38 38 ARG HB3 H 1.801 0.008 . 403 38 38 ARG HG2 H 1.583 0.008 . 404 38 38 ARG HG3 H 1.583 0.008 . 405 38 38 ARG HD2 H 3.099 0.008 . 406 38 38 ARG HD3 H 3.099 0.008 . 407 38 38 ARG C C 176.280 0.19 . 408 38 38 ARG CA C 55.770 0.19 . 409 38 38 ARG CB C 26.747 0.19 . 410 38 38 ARG CG C 24.439 0.19 . 411 38 38 ARG CD C 40.469 0.19 . 412 38 38 ARG N N 117.845 0.14 . 413 38 38 ARG NH2 N 75.993 0.14 . 414 39 39 ALA H H 7.859 0.008 . 415 39 39 ALA HA H 3.870 0.008 . 416 39 39 ALA HB H 1.307 0.008 . 417 39 39 ALA C C 175.869 0.19 . 418 39 39 ALA CA C 52.172 0.19 . 419 39 39 ALA CB C 15.300 0.19 . 420 39 39 ALA N N 123.101 0.14 . 421 40 40 ILE H H 7.425 0.008 . 422 40 40 ILE HA H 3.434 0.008 . 423 40 40 ILE HB H 1.854 0.008 . 424 40 40 ILE HG12 H 1.094 0.008 . 425 40 40 ILE HG13 H 1.319 0.008 . 426 40 40 ILE HG2 H 0.703 0.008 . 427 40 40 ILE HD1 H 0.526 0.008 . 428 40 40 ILE C C 175.192 0.19 . 429 40 40 ILE CA C 60.787 0.19 . 430 40 40 ILE CB C 33.741 0.19 . 431 40 40 ILE CG1 C 25.598 0.19 . 432 40 40 ILE CG2 C 14.559 0.19 . 433 40 40 ILE CD1 C 7.865 0.19 . 434 40 40 ILE N N 116.419 0.14 . 435 41 41 GLU H H 8.181 0.008 . 436 41 41 GLU HA H 3.779 0.008 . 437 41 41 GLU HB2 H 1.943 0.008 . 438 41 41 GLU HB3 H 1.943 0.008 . 439 41 41 GLU HG2 H 2.271 0.008 . 440 41 41 GLU HG3 H 2.235 0.008 . 441 41 41 GLU C C 176.502 0.19 . 442 41 41 GLU CA C 56.350 0.19 . 443 41 41 GLU CB C 26.520 0.19 . 444 41 41 GLU CG C 33.514 0.19 . 445 41 41 GLU N N 117.790 0.14 . 446 42 42 ALA H H 7.613 0.008 . 447 42 42 ALA HA H 4.060 0.008 . 448 42 42 ALA HB H 1.441 0.008 . 449 42 42 ALA CA C 51.980 0.19 . 450 42 42 ALA CB C 15.401 0.19 . 451 42 42 ALA N N 120.812 0.14 . 452 43 43 LEU H H 7.769 0.008 . 453 43 43 LEU HA H 4.128 0.008 . 454 43 43 LEU HB2 H 1.646 0.008 . 455 43 43 LEU HB3 H 1.578 0.008 . 456 43 43 LEU HG H 1.580 0.008 . 457 43 43 LEU HD1 H 0.579 0.008 . 458 43 43 LEU HD2 H 0.636 0.008 . 459 43 43 LEU C C 176.358 0.19 . 460 43 43 LEU CA C 54.829 0.19 . 461 43 43 LEU CB C 39.598 0.19 . 462 43 43 LEU CG C 24.132 0.19 . 463 43 43 LEU CD1 C 22.556 0.19 . 464 43 43 LEU CD2 C 21.679 0.19 . 465 43 43 LEU N N 120.398 0.14 . 466 44 44 LYS H H 7.733 0.008 . 467 44 44 LYS HA H 4.024 0.008 . 468 44 44 LYS HB2 H 1.905 0.008 . 469 44 44 LYS HB3 H 1.779 0.008 . 470 44 44 LYS HG2 H 1.290 0.008 . 471 44 44 LYS HG3 H 1.290 0.008 . 472 44 44 LYS HD2 H 1.579 0.008 . 473 44 44 LYS HD3 H 1.579 0.008 . 474 44 44 LYS C C 174.405 0.19 . 475 44 44 LYS CA C 55.611 0.19 . 476 44 44 LYS CB C 29.848 0.19 . 477 44 44 LYS CG C 23.287 0.19 . 478 44 44 LYS CD C 27.073 0.19 . 479 44 44 LYS N N 116.588 0.14 . 480 45 45 GLU H H 7.294 0.008 . 481 45 45 GLU HA H 4.022 0.008 . 482 45 45 GLU HB2 H 1.861 0.008 . 483 45 45 GLU HB3 H 1.861 0.008 . 484 45 45 GLU HG2 H 2.420 0.008 . 485 45 45 GLU HG3 H 2.092 0.008 . 486 45 45 GLU C C 174.393 0.19 . 487 45 45 GLU CA C 54.376 0.19 . 488 45 45 GLU CB C 27.210 0.19 . 489 45 45 GLU CG C 33.789 0.19 . 490 45 45 GLU N N 115.805 0.14 . 491 46 46 PHE H H 7.362 0.008 . 492 46 46 PHE HA H 4.333 0.008 . 493 46 46 PHE HB2 H 3.204 0.008 . 494 46 46 PHE HB3 H 2.991 0.008 . 495 46 46 PHE HD1 H 7.322 0.008 . 496 46 46 PHE HD2 H 7.322 0.008 . 497 46 46 PHE HE1 H 7.140 0.008 . 498 46 46 PHE HE2 H 7.140 0.008 . 499 46 46 PHE HZ H 7.230 0.008 . 500 46 46 PHE C C 173.947 0.19 . 501 46 46 PHE CA C 55.539 0.19 . 502 46 46 PHE CB C 38.490 0.19 . 503 46 46 PHE CD1 C 128.688 0.19 . 504 46 46 PHE CD2 C 128.688 0.19 . 505 46 46 PHE CE1 C 128.575 0.19 . 506 46 46 PHE CE2 C 128.575 0.19 . 507 46 46 PHE CZ C 125.683 0.19 . 508 46 46 PHE N N 118.412 0.14 . 509 47 47 ASN H H 8.383 0.008 . 510 47 47 ASN HA H 4.601 0.008 . 511 47 47 ASN HB2 H 3.165 0.008 . 512 47 47 ASN HB3 H 2.940 0.008 . 513 47 47 ASN HD21 H 7.013 0.008 . 514 47 47 ASN HD22 H 7.676 0.008 . 515 47 47 ASN C C 172.502 0.19 . 516 47 47 ASN CA C 49.604 0.19 . 517 47 47 ASN CB C 35.248 0.19 . 518 47 47 ASN N N 117.521 0.14 . 519 47 47 ASN ND2 N 112.867 0.14 . 520 48 48 GLU H H 8.671 0.008 . 521 48 48 GLU HA H 3.671 0.008 . 522 48 48 GLU HB2 H 1.924 0.008 . 523 48 48 GLU HB3 H 2.026 0.008 . 524 48 48 GLU HG2 H 2.026 0.008 . 525 48 48 GLU HG3 H 2.026 0.008 . 526 48 48 GLU C C 174.316 0.19 . 527 48 48 GLU CA C 58.565 0.19 . 528 48 48 GLU CB C 27.733 0.19 . 529 48 48 GLU CG C 34.683 0.19 . 530 48 48 GLU N N 121.077 0.14 . 531 49 49 ASP H H 8.200 0.008 . 532 49 49 ASP HA H 4.217 0.008 . 533 49 49 ASP HB2 H 2.504 0.008 . 534 49 49 ASP HB3 H 2.573 0.008 . 535 49 49 ASP C C 176.775 0.19 . 536 49 49 ASP CA C 54.663 0.19 . 537 49 49 ASP CB C 37.590 0.19 . 538 49 49 ASP N N 115.255 0.14 . 539 50 50 GLY H H 8.150 0.008 . 540 50 50 GLY HA2 H 3.707 0.008 . 541 50 50 GLY HA3 H 3.833 0.008 . 542 50 50 GLY C C 171.491 0.19 . 543 50 50 GLY CA C 44.456 0.19 . 544 50 50 GLY N N 109.705 0.14 . 545 51 51 ALA H H 8.547 0.008 . 546 51 51 ALA HA H 3.346 0.008 . 547 51 51 ALA HB H 1.310 0.008 . 548 51 51 ALA C C 177.028 0.19 . 549 51 51 ALA CA C 52.097 0.19 . 550 51 51 ALA CB C 16.853 0.19 . 551 51 51 ALA N N 123.574 0.14 . 552 52 52 LEU H H 8.131 0.008 . 553 52 52 LEU HA H 3.777 0.008 . 554 52 52 LEU HB2 H 1.813 0.008 . 555 52 52 LEU HB3 H 1.353 0.008 . 556 52 52 LEU HG H 1.813 0.008 . 557 52 52 LEU HD1 H 0.662 0.008 . 558 52 52 LEU HD2 H 0.763 0.008 . 559 52 52 LEU C C 176.763 0.19 . 560 52 52 LEU CA C 55.349 0.19 . 561 52 52 LEU CB C 38.012 0.19 . 562 52 52 LEU CG C 24.206 0.19 . 563 52 52 LEU CD1 C 20.739 0.19 . 564 52 52 LEU CD2 C 23.039 0.19 . 565 52 52 LEU N N 115.645 0.14 . 566 53 53 ALA H H 7.525 0.008 . 567 53 53 ALA HA H 4.024 0.008 . 568 53 53 ALA HB H 1.369 0.008 . 569 53 53 ALA CA C 52.392 0.19 . 570 53 53 ALA CB C 15.659 0.19 . 571 53 53 ALA N N 123.428 0.14 . 572 54 54 VAL H H 7.879 0.008 . 573 54 54 VAL HA H 3.088 0.008 . 574 54 54 VAL HB H 1.630 0.008 . 575 54 54 VAL HG1 H 0.308 0.008 . 576 54 54 VAL HG2 H 0.039 0.008 . 577 54 54 VAL C C 175.873 0.19 . 578 54 54 VAL CA C 62.950 0.19 . 579 54 54 VAL CB C 28.399 0.19 . 580 54 54 VAL CG1 C 18.748 0.19 . 581 54 54 VAL CG2 C 19.726 0.19 . 582 54 54 VAL N N 119.325 0.14 . 583 55 55 LEU H H 7.967 0.008 . 584 55 55 LEU HA H 3.837 0.008 . 585 55 55 LEU HB2 H 1.026 0.008 . 586 55 55 LEU HB3 H 1.799 0.008 . 587 55 55 LEU HG H 1.748 0.008 . 588 55 55 LEU HD1 H 0.515 0.008 . 589 55 55 LEU HD2 H 0.666 0.008 . 590 55 55 LEU C C 176.014 0.19 . 591 55 55 LEU CA C 54.609 0.19 . 592 55 55 LEU CB C 38.909 0.19 . 593 55 55 LEU CG C 23.688 0.19 . 594 55 55 LEU CD1 C 19.640 0.19 . 595 55 55 LEU CD2 C 25.053 0.19 . 596 55 55 LEU N N 118.068 0.14 . 597 56 56 GLN H H 8.100 0.008 . 598 56 56 GLN HA H 3.760 0.008 . 599 56 56 GLN HB2 H 2.126 0.008 . 600 56 56 GLN HB3 H 2.053 0.008 . 601 56 56 GLN HG2 H 2.285 0.008 . 602 56 56 GLN HG3 H 2.285 0.008 . 603 56 56 GLN HE21 H 7.935 0.008 . 604 56 56 GLN HE22 H 6.818 0.008 . 605 56 56 GLN C C 174.356 0.19 . 606 56 56 GLN CA C 55.601 0.19 . 607 56 56 GLN CB C 25.330 0.19 . 608 56 56 GLN CG C 30.429 0.19 . 609 56 56 GLN N N 120.271 0.14 . 610 56 56 GLN NE2 N 116.192 0.14 . 611 57 57 GLN H H 7.718 0.008 . 612 57 57 GLN HA H 3.986 0.008 . 613 57 57 GLN HB2 H 1.936 0.008 . 614 57 57 GLN HB3 H 1.936 0.008 . 615 57 57 GLN HG2 H 2.250 0.008 . 616 57 57 GLN HG3 H 2.451 0.008 . 617 57 57 GLN HE21 H 6.569 0.008 . 618 57 57 GLN HE22 H 7.369 0.008 . 619 57 57 GLN C C 177.122 0.19 . 620 57 57 GLN CA C 56.190 0.19 . 621 57 57 GLN CB C 25.275 0.19 . 622 57 57 GLN CG C 31.204 0.19 . 623 57 57 GLN N N 117.571 0.14 . 624 57 57 GLN NE2 N 109.942 0.14 . 625 58 58 PHE H H 8.494 0.008 . 626 58 58 PHE HA H 4.200 0.008 . 627 58 58 PHE HB2 H 2.939 0.008 . 628 58 58 PHE HB3 H 3.327 0.008 . 629 58 58 PHE HD1 H 7.062 0.008 . 630 58 58 PHE HD2 H 7.062 0.008 . 631 58 58 PHE HE1 H 7.182 0.008 . 632 58 58 PHE HE2 H 7.182 0.008 . 633 58 58 PHE HZ H 6.918 0.008 . 634 58 58 PHE C C 172.946 0.19 . 635 58 58 PHE CA C 58.583 0.19 . 636 58 58 PHE CB C 37.445 0.19 . 637 58 58 PHE CD1 C 128.541 0.19 . 638 58 58 PHE CD2 C 128.541 0.19 . 639 58 58 PHE CE1 C 128.629 0.19 . 640 58 58 PHE CE2 C 128.629 0.19 . 641 58 58 PHE CZ C 126.517 0.19 . 642 58 58 PHE N N 120.337 0.14 . 643 59 59 LYS H H 8.421 0.008 . 644 59 59 LYS HA H 3.622 0.008 . 645 59 59 LYS HB2 H 1.798 0.008 . 646 59 59 LYS HG2 H 1.237 0.008 . 647 59 59 LYS HG3 H 1.517 0.008 . 648 59 59 LYS HD2 H 1.522 0.008 . 649 59 59 LYS HD3 H 1.450 0.008 . 650 59 59 LYS HE2 H 2.774 0.008 . 651 59 59 LYS HE3 H 2.774 0.008 . 652 59 59 LYS C C 174.011 0.19 . 653 59 59 LYS CA C 56.183 0.19 . 654 59 59 LYS CB C 29.596 0.19 . 655 59 59 LYS CG C 22.303 0.19 . 656 59 59 LYS CD C 26.841 0.19 . 657 59 59 LYS CE C 39.190 0.19 . 658 59 59 LYS N N 117.717 0.14 . 659 60 60 ASP H H 7.627 0.008 . 660 60 60 ASP HA H 4.630 0.008 . 661 60 60 ASP HB2 H 2.810 0.008 . 662 60 60 ASP HB3 H 2.544 0.008 . 663 60 60 ASP C C 174.252 0.19 . 664 60 60 ASP CA C 51.895 0.19 . 665 60 60 ASP CB C 38.073 0.19 . 666 60 60 ASP N N 116.567 0.14 . 667 61 61 SER H H 7.375 0.008 . 668 61 61 SER HA H 4.380 0.008 . 669 61 61 SER HB2 H 3.902 0.008 . 670 61 61 SER HB3 H 3.624 0.008 . 671 61 61 SER C C 169.535 0.19 . 672 61 61 SER CA C 56.579 0.19 . 673 61 61 SER CB C 61.590 0.19 . 674 61 61 SER N N 117.036 0.14 . 675 62 62 ASP H H 8.503 0.008 . 676 62 62 ASP HA H 4.545 0.008 . 677 62 62 ASP HB2 H 2.757 0.008 . 678 62 62 ASP HB3 H 2.513 0.008 . 679 62 62 ASP CA C 50.210 0.19 . 680 62 62 ASP CB C 36.298 0.19 . 681 62 62 ASP N N 120.555 0.14 . 682 63 63 LEU H H 8.252 0.008 . 683 63 63 LEU HA H 3.804 0.008 . 684 63 63 LEU HB2 H 1.449 0.008 . 685 63 63 LEU HB3 H 1.093 0.008 . 686 63 63 LEU HG H 1.143 0.008 . 687 63 63 LEU HD1 H 0.104 0.008 . 688 63 63 LEU HD2 H -0.180 0.008 . 689 63 63 LEU CA C 51.895 0.19 . 690 63 63 LEU CB C 39.085 0.19 . 691 63 63 LEU CG C 23.210 0.19 . 692 63 63 LEU CD1 C 23.174 0.19 . 693 63 63 LEU CD2 C 20.024 0.19 . 694 63 63 LEU N N 126.188 0.14 . 695 64 64 SER H H 8.221 0.008 . 696 64 64 SER HA H 3.853 0.008 . 697 64 64 SER HB2 H 3.680 0.008 . 698 64 64 SER HB3 H 3.534 0.008 . 699 64 64 SER C C 172.835 0.19 . 700 64 64 SER CA C 58.814 0.19 . 701 64 64 SER CB C 59.803 0.19 . 702 64 64 SER N N 116.368 0.14 . 703 65 65 HIS H H 8.154 0.008 . 704 65 65 HIS HA H 4.713 0.008 . 705 65 65 HIS HB2 H 2.704 0.008 . 706 65 65 HIS HB3 H 3.432 0.008 . 707 65 65 HIS HD2 H 7.179 0.008 . 708 65 65 HIS HE1 H 8.354 0.008 . 709 65 65 HIS C C 171.011 0.19 . 710 65 65 HIS CA C 52.241 0.19 . 711 65 65 HIS CB C 25.656 0.19 . 712 65 65 HIS CD2 C 117.092 0.19 . 713 65 65 HIS CE1 C 133.324 0.19 . 714 65 65 HIS N N 117.550 0.14 . 715 66 66 VAL H H 6.993 0.008 . 716 66 66 VAL HA H 3.860 0.008 . 717 66 66 VAL HB H 1.650 0.008 . 718 66 66 VAL HG1 H 0.575 0.008 . 719 66 66 VAL HG2 H 0.403 0.008 . 720 66 66 VAL C C 172.361 0.19 . 721 66 66 VAL CA C 59.059 0.19 . 722 66 66 VAL CB C 29.748 0.19 . 723 66 66 VAL CG1 C 19.341 0.19 . 724 66 66 VAL CG2 C 18.329 0.19 . 725 66 66 VAL N N 121.439 0.14 . 726 67 67 GLN H H 8.560 0.008 . 727 67 67 GLN HA H 4.141 0.008 . 728 67 67 GLN HB2 H 2.035 0.008 . 729 67 67 GLN HB3 H 1.892 0.008 . 730 67 67 GLN HG2 H 2.325 0.008 . 731 67 67 GLN HG3 H 2.325 0.008 . 732 67 67 GLN HE21 H 6.758 0.008 . 733 67 67 GLN HE22 H 7.408 0.008 . 734 67 67 GLN CA C 55.047 0.19 . 735 67 67 GLN CB C 26.494 0.19 . 736 67 67 GLN CG C 31.288 0.19 . 737 67 67 GLN N N 127.272 0.14 . 738 67 67 GLN NE2 N 112.133 0.14 . 739 68 68 ASN H H 8.211 0.008 . 740 68 68 ASN HA H 4.932 0.008 . 741 68 68 ASN HB2 H 2.636 0.008 . 742 68 68 ASN HB3 H 3.071 0.008 . 743 68 68 ASN HD21 H 7.684 0.008 . 744 68 68 ASN HD22 H 7.079 0.008 . 745 68 68 ASN C C 173.073 0.19 . 746 68 68 ASN CA C 48.605 0.19 . 747 68 68 ASN CB C 35.214 0.19 . 748 68 68 ASN N N 117.031 0.14 . 749 68 68 ASN ND2 N 112.879 0.14 . 750 69 69 LYS H H 9.072 0.008 . 751 69 69 LYS HA H 3.927 0.008 . 752 69 69 LYS HB2 H 1.884 0.008 . 753 69 69 LYS HG2 H 1.564 0.008 . 754 69 69 LYS HG3 H 1.376 0.008 . 755 69 69 LYS HD2 H 1.663 0.008 . 756 69 69 LYS HD3 H 1.663 0.008 . 757 69 69 LYS HE2 H 2.995 0.008 . 758 69 69 LYS HE3 H 2.995 0.008 . 759 69 69 LYS C C 175.246 0.19 . 760 69 69 LYS CA C 57.495 0.19 . 761 69 69 LYS CB C 30.487 0.19 . 762 69 69 LYS CG C 25.349 0.19 . 763 69 69 LYS CD C 26.795 0.19 . 764 69 69 LYS CE C 40.016 0.19 . 765 69 69 LYS N N 125.017 0.14 . 766 70 70 SER H H 8.514 0.008 . 767 70 70 SER HB2 H 3.974 0.008 . 768 70 70 SER HB3 H 4.215 0.008 . 769 70 70 SER CB C 59.878 0.19 . 770 70 70 SER N N 115.927 0.14 . 771 71 71 ALA H H 7.908 0.008 . 772 71 71 ALA HA H 3.962 0.008 . 773 71 71 ALA HB H 1.330 0.008 . 774 71 71 ALA CA C 51.854 0.19 . 775 71 71 ALA CB C 15.126 0.19 . 776 71 71 ALA N N 123.395 0.14 . 777 72 72 PHE H H 7.892 0.008 . 778 72 72 PHE HA H 4.134 0.008 . 779 72 72 PHE HB2 H 3.190 0.008 . 780 72 72 PHE HB3 H 3.190 0.008 . 781 72 72 PHE HD1 H 7.175 0.008 . 782 72 72 PHE HD2 H 7.175 0.008 . 783 72 72 PHE HE1 H 7.246 0.008 . 784 72 72 PHE HE2 H 7.246 0.008 . 785 72 72 PHE HZ H 7.223 0.008 . 786 72 72 PHE C C 175.686 0.19 . 787 72 72 PHE CA C 58.850 0.19 . 788 72 72 PHE CB C 37.404 0.19 . 789 72 72 PHE CD1 C 128.727 0.19 . 790 72 72 PHE CD2 C 128.727 0.19 . 791 72 72 PHE CE1 C 128.874 0.19 . 792 72 72 PHE CE2 C 128.874 0.19 . 793 72 72 PHE CZ C 127.421 0.19 . 794 72 72 PHE N N 120.055 0.14 . 795 73 73 LEU H H 8.484 0.008 . 796 73 73 LEU HA H 3.751 0.008 . 797 73 73 LEU HB2 H 1.854 0.008 . 798 73 73 LEU HB3 H 1.064 0.008 . 799 73 73 LEU HG H 1.251 0.008 . 800 73 73 LEU HD1 H 0.326 0.008 . 801 73 73 LEU HD2 H 0.104 0.008 . 802 73 73 LEU C C 175.893 0.19 . 803 73 73 LEU CA C 55.639 0.19 . 804 73 73 LEU CB C 37.550 0.19 . 805 73 73 LEU CG C 23.979 0.19 . 806 73 73 LEU CD1 C 22.761 0.19 . 807 73 73 LEU CD2 C 18.964 0.19 . 808 73 73 LEU N N 121.810 0.14 . 809 74 74 CYS H H 8.309 0.008 . 810 74 74 CYS HA H 4.119 0.008 . 811 74 74 CYS HB2 H 2.955 0.008 . 812 74 74 CYS HB3 H 2.775 0.008 . 813 74 74 CYS C C 174.946 0.19 . 814 74 74 CYS CA C 61.373 0.19 . 815 74 74 CYS CB C 23.618 0.19 . 816 74 74 CYS N N 116.936 0.14 . 817 75 75 GLY H H 8.124 0.008 . 818 75 75 GLY HA2 H 3.795 0.008 . 819 75 75 GLY HA3 H 3.761 0.008 . 820 75 75 GLY C C 173.623 0.19 . 821 75 75 GLY CA C 44.471 0.19 . 822 75 75 GLY N N 110.569 0.14 . 823 76 76 VAL H H 7.875 0.008 . 824 76 76 VAL HA H 3.512 0.008 . 825 76 76 VAL HB H 2.148 0.008 . 826 76 76 VAL HG1 H 0.869 0.008 . 827 76 76 VAL HG2 H 0.713 0.008 . 828 76 76 VAL CA C 63.458 0.19 . 829 76 76 VAL CB C 28.598 0.19 . 830 76 76 VAL CG1 C 20.117 0.19 . 831 76 76 VAL CG2 C 20.175 0.19 . 832 76 76 VAL N N 124.470 0.14 . 833 77 77 MET H H 7.945 0.008 . 834 77 77 MET HA H 3.753 0.008 . 835 77 77 MET HB2 H 1.983 0.008 . 836 77 77 MET HB3 H 2.488 0.008 . 837 77 77 MET HG2 H 2.071 0.008 . 838 77 77 MET HG3 H 2.344 0.008 . 839 77 77 MET HE H 1.966 0.008 . 840 77 77 MET C C 174.624 0.19 . 841 77 77 MET CA C 57.789 0.19 . 842 77 77 MET CB C 31.875 0.19 . 843 77 77 MET CG C 31.096 0.19 . 844 77 77 MET CE C 16.016 0.19 . 845 77 77 MET N N 118.242 0.14 . 846 78 78 LYS H H 7.893 0.008 . 847 78 78 LYS HA H 3.959 0.008 . 848 78 78 LYS HB2 H 1.896 0.008 . 849 78 78 LYS HB3 H 1.896 0.008 . 850 78 78 LYS HG2 H 1.483 0.008 . 851 78 78 LYS HG3 H 1.483 0.008 . 852 78 78 LYS HE2 H 2.799 0.008 . 853 78 78 LYS HE3 H 2.799 0.008 . 854 78 78 LYS C C 176.613 0.19 . 855 78 78 LYS CA C 57.021 0.19 . 856 78 78 LYS CB C 29.687 0.19 . 857 78 78 LYS CG C 22.382 0.19 . 858 78 78 LYS CE C 39.160 0.19 . 859 78 78 LYS N N 119.060 0.14 . 860 79 79 THR H H 8.073 0.008 . 861 79 79 THR HA H 3.868 0.008 . 862 79 79 THR HB H 4.148 0.008 . 863 79 79 THR HG2 H 1.139 0.008 . 864 79 79 THR C C 173.525 0.19 . 865 79 79 THR CA C 63.327 0.19 . 866 79 79 THR CB C 65.891 0.19 . 867 79 79 THR CG2 C 19.264 0.19 . 868 79 79 THR N N 115.304 0.14 . 869 80 80 TYR H H 8.245 0.008 . 870 80 80 TYR HA H 3.955 0.008 . 871 80 80 TYR HB2 H 2.958 0.008 . 872 80 80 TYR HB3 H 2.994 0.008 . 873 80 80 TYR HD1 H 6.904 0.008 . 874 80 80 TYR HD2 H 6.904 0.008 . 875 80 80 TYR HE1 H 6.633 0.008 . 876 80 80 TYR HE2 H 6.633 0.008 . 877 80 80 TYR C C 174.599 0.19 . 878 80 80 TYR CA C 59.238 0.19 . 879 80 80 TYR CB C 36.209 0.19 . 880 80 80 TYR CD1 C 130.279 0.19 . 881 80 80 TYR CD2 C 130.279 0.19 . 882 80 80 TYR CE1 C 115.079 0.19 . 883 80 80 TYR CE2 C 115.079 0.19 . 884 80 80 TYR N N 123.507 0.14 . 885 81 81 ARG H H 8.233 0.008 . 886 81 81 ARG HA H 4.037 0.008 . 887 81 81 ARG HB2 H 1.851 0.008 . 888 81 81 ARG HB3 H 1.951 0.008 . 889 81 81 ARG HG2 H 1.828 0.008 . 890 81 81 ARG HG3 H 1.677 0.008 . 891 81 81 ARG HD3 H 3.038 0.008 . 892 81 81 ARG HE H 7.174 0.008 . 893 81 81 ARG C C 175.625 0.19 . 894 81 81 ARG CA C 55.897 0.19 . 895 81 81 ARG CB C 27.773 0.19 . 896 81 81 ARG CG C 25.072 0.19 . 897 81 81 ARG CD C 40.577 0.19 . 898 81 81 ARG N N 118.227 0.14 . 899 81 81 ARG NE N 84.239 0.14 . 900 82 82 GLN H H 7.807 0.008 . 901 82 82 GLN HA H 4.031 0.008 . 902 82 82 GLN HB2 H 2.074 0.008 . 903 82 82 GLN HB3 H 2.074 0.008 . 904 82 82 GLN HG2 H 2.305 0.008 . 905 82 82 GLN HG3 H 2.431 0.008 . 906 82 82 GLN HE21 H 6.795 0.008 . 907 82 82 GLN HE22 H 7.372 0.008 . 908 82 82 GLN C C 174.812 0.19 . 909 82 82 GLN CA C 55.069 0.19 . 910 82 82 GLN CB C 25.754 0.19 . 911 82 82 GLN CG C 31.347 0.19 . 912 82 82 GLN N N 118.054 0.14 . 913 82 82 GLN NE2 N 111.547 0.14 . 914 83 83 ARG H H 7.731 0.008 . 915 83 83 ARG HA H 4.015 0.008 . 916 83 83 ARG HB2 H 1.692 0.008 . 917 83 83 ARG HB3 H 1.692 0.008 . 918 83 83 ARG HG2 H 1.484 0.008 . 919 83 83 ARG HG3 H 1.484 0.008 . 920 83 83 ARG HD2 H 2.948 0.008 . 921 83 83 ARG HD3 H 2.948 0.008 . 922 83 83 ARG CA C 55.103 0.19 . 923 83 83 ARG CB C 27.489 0.19 . 924 83 83 ARG CG C 24.338 0.19 . 925 83 83 ARG CD C 40.720 0.19 . 926 83 83 ARG N N 119.467 0.14 . 927 84 84 GLU H H 7.897 0.008 . 928 84 84 GLU HA H 3.978 0.008 . 929 84 84 GLU HB2 H 1.835 0.008 . 930 84 84 GLU HB3 H 1.917 0.008 . 931 84 84 GLU HG2 H 2.120 0.008 . 932 84 84 GLU HG3 H 2.016 0.008 . 933 84 84 GLU CA C 59.921 0.19 . 934 84 84 GLU CB C 27.328 0.19 . 935 84 84 GLU CG C 33.494 0.19 . 936 84 84 GLU N N 120.021 0.14 . 937 85 85 LYS H H 8.500 0.008 . 938 85 85 LYS N N 120.428 0.14 . 939 86 86 GLN H H 8.215 0.008 . 940 86 86 GLN HA H 4.126 0.008 . 941 86 86 GLN HB2 H 1.968 0.008 . 942 86 86 GLN HB3 H 1.968 0.008 . 943 86 86 GLN HE21 H 7.448 0.008 . 944 86 86 GLN HE22 H 6.770 0.008 . 945 86 86 GLN C C 174.052 0.19 . 946 86 86 GLN CA C 53.476 0.19 . 947 86 86 GLN CB C 27.482 0.19 . 948 86 86 GLN N N 117.072 0.14 . 949 86 86 GLN NE2 N 112.412 0.14 . 950 87 87 GLY H H 8.188 0.008 . 951 87 87 GLY HA2 H 3.917 0.008 . 952 87 87 GLY HA3 H 3.917 0.008 . 953 87 87 GLY C C 171.580 0.19 . 954 87 87 GLY CA C 42.729 0.19 . 955 87 87 GLY N N 109.075 0.14 . 956 88 88 THR H H 7.937 0.008 . 957 88 88 THR HA H 4.216 0.008 . 958 88 88 THR HB H 4.721 0.008 . 959 88 88 THR HG2 H 1.097 0.008 . 960 88 88 THR C C 171.742 0.19 . 961 88 88 THR CA C 59.357 0.19 . 962 88 88 THR CB C 67.214 0.19 . 963 88 88 THR CG2 C 18.888 0.19 . 964 88 88 THR N N 113.955 0.14 . 965 89 89 LYS H H 8.259 0.008 . 966 89 89 LYS HA H 4.276 0.008 . 967 89 89 LYS HB2 H 1.661 0.008 . 968 89 89 LYS HB3 H 1.726 0.008 . 969 89 89 LYS C C 173.757 0.19 . 970 89 89 LYS CA C 53.580 0.19 . 971 89 89 LYS CB C 30.314 0.19 . 972 89 89 LYS N N 124.185 0.14 . 973 90 90 VAL H H 8.103 0.008 . 974 90 90 VAL HA H 3.967 0.008 . 975 90 90 VAL HB H 1.944 0.008 . 976 90 90 VAL HG1 H 0.830 0.008 . 977 90 90 VAL HG2 H 0.829 0.008 . 978 90 90 VAL C C 173.187 0.19 . 979 90 90 VAL CA C 59.319 0.19 . 980 90 90 VAL CB C 29.974 0.19 . 981 90 90 VAL CG1 C 18.082 0.19 . 982 90 90 VAL CG2 C 18.480 0.19 . 983 90 90 VAL N N 122.111 0.14 . 984 91 91 ALA H H 8.327 0.008 . 985 91 91 ALA HA H 4.199 0.008 . 986 91 91 ALA HB H 1.277 0.008 . 987 91 91 ALA C C 174.695 0.19 . 988 91 91 ALA CA C 49.551 0.19 . 989 91 91 ALA CB C 16.567 0.19 . 990 91 91 ALA N N 127.842 0.14 . 991 92 92 ASP H H 8.223 0.008 . 992 92 92 ASP HA H 4.511 0.008 . 993 92 92 ASP HB2 H 2.625 0.008 . 994 92 92 ASP HB3 H 2.555 0.008 . 995 92 92 ASP C C 173.869 0.19 . 996 92 92 ASP CA C 51.439 0.19 . 997 92 92 ASP CB C 38.509 0.19 . 998 92 92 ASP N N 120.170 0.14 . 999 93 93 SER H H 8.272 0.008 . 1000 93 93 SER HA H 4.349 0.008 . 1001 93 93 SER HB3 H 3.770 0.008 . 1002 93 93 SER C C 172.187 0.19 . 1003 93 93 SER CA C 55.793 0.19 . 1004 93 93 SER CB C 60.934 0.19 . 1005 93 93 SER N N 116.914 0.14 . 1006 94 94 SER H H 8.329 0.008 . 1007 94 94 SER HA H 4.340 0.008 . 1008 94 94 SER HB2 H 3.858 0.008 . 1009 94 94 SER C C 171.807 0.19 . 1010 94 94 SER CA C 56.262 0.19 . 1011 94 94 SER CB C 60.935 0.19 . 1012 94 94 SER N N 117.942 0.14 . 1013 95 95 LYS H H 8.076 0.008 . 1014 95 95 LYS HA H 4.296 0.008 . 1015 95 95 LYS HB3 H 1.681 0.008 . 1016 95 95 LYS HG3 H 1.327 0.008 . 1017 95 95 LYS C C 173.981 0.19 . 1018 95 95 LYS CA C 53.496 0.19 . 1019 95 95 LYS CB C 30.433 0.19 . 1020 95 95 LYS CG C 22.023 0.19 . 1021 95 95 LYS N N 122.575 0.14 . 1022 96 96 GLY H H 8.177 0.008 . 1023 96 96 GLY HA2 H 3.952 0.008 . 1024 96 96 GLY HA3 H 4.071 0.008 . 1025 96 96 GLY CA C 42.037 0.19 . 1026 96 96 GLY N N 109.829 0.14 . 1027 97 97 PRO HA H 4.311 0.008 . 1028 97 97 PRO HB2 H 2.168 0.008 . 1029 97 97 PRO HG2 H 1.908 0.008 . 1030 97 97 PRO HD2 H 3.515 0.008 . 1031 97 97 PRO HD3 H 3.546 0.008 . 1032 97 97 PRO CA C 60.558 0.19 . 1033 97 97 PRO CB C 29.399 0.19 . 1034 97 97 PRO CG C 24.409 0.19 . 1035 97 97 PRO CD C 47.019 0.19 . 1036 98 98 ASP H H 8.333 0.008 . 1037 98 98 ASP HA H 4.472 0.008 . 1038 98 98 ASP HB2 H 2.544 0.008 . 1039 98 98 ASP HB3 H 2.644 0.008 . 1040 98 98 ASP C C 173.966 0.19 . 1041 98 98 ASP CA C 52.414 0.19 . 1042 98 98 ASP CB C 38.295 0.19 . 1043 98 98 ASP N N 120.167 0.14 . 1044 99 99 GLU H H 8.246 0.008 . 1045 99 99 GLU HA H 4.000 0.008 . 1046 99 99 GLU HB2 H 1.924 0.008 . 1047 99 99 GLU HB3 H 1.845 0.008 . 1048 99 99 GLU HG2 H 2.164 0.008 . 1049 99 99 GLU HG3 H 2.164 0.008 . 1050 99 99 GLU C C 174.603 0.19 . 1051 99 99 GLU CA C 55.456 0.19 . 1052 99 99 GLU CB C 27.169 0.19 . 1053 99 99 GLU CG C 33.491 0.19 . 1054 99 99 GLU N N 121.782 0.14 . 1055 100 100 ALA H H 8.153 0.008 . 1056 100 100 ALA HA H 4.087 0.008 . 1057 100 100 ALA HB H 1.326 0.008 . 1058 100 100 ALA C C 176.512 0.19 . 1059 100 100 ALA CA C 51.065 0.19 . 1060 100 100 ALA CB C 15.853 0.19 . 1061 100 100 ALA N N 122.759 0.14 . 1062 101 101 LYS H H 7.853 0.008 . 1063 101 101 LYS HA H 4.079 0.008 . 1064 101 101 LYS HB2 H 1.761 0.008 . 1065 101 101 LYS HG2 H 1.387 0.008 . 1066 101 101 LYS HG3 H 1.319 0.008 . 1067 101 101 LYS HD2 H 1.578 0.008 . 1068 101 101 LYS HD3 H 1.578 0.008 . 1069 101 101 LYS HE2 H 2.856 0.008 . 1070 101 101 LYS HE3 H 2.856 0.008 . 1071 101 101 LYS C C 175.072 0.19 . 1072 101 101 LYS CA C 54.990 0.19 . 1073 101 101 LYS CB C 29.950 0.19 . 1074 101 101 LYS CG C 22.049 0.19 . 1075 101 101 LYS CD C 26.435 0.19 . 1076 101 101 LYS CE C 39.252 0.19 . 1077 101 101 LYS N N 119.630 0.14 . 1078 102 102 ILE H H 7.785 0.008 . 1079 102 102 ILE HA H 3.829 0.008 . 1080 102 102 ILE HB H 1.788 0.008 . 1081 102 102 ILE HG12 H 1.435 0.008 . 1082 102 102 ILE HG13 H 1.097 0.008 . 1083 102 102 ILE HG2 H 0.801 0.008 . 1084 102 102 ILE HD1 H 0.723 0.008 . 1085 102 102 ILE C C 174.528 0.19 . 1086 102 102 ILE CA C 59.816 0.19 . 1087 102 102 ILE CB C 35.437 0.19 . 1088 102 102 ILE CG1 C 25.410 0.19 . 1089 102 102 ILE CG2 C 14.743 0.19 . 1090 102 102 ILE CD1 C 10.012 0.19 . 1091 102 102 ILE N N 120.413 0.14 . 1092 103 103 LYS H H 8.062 0.008 . 1093 103 103 LYS HA H 4.005 0.008 . 1094 103 103 LYS HB2 H 1.714 0.008 . 1095 103 103 LYS HG2 H 1.399 0.008 . 1096 103 103 LYS HG3 H 1.299 0.008 . 1097 103 103 LYS HD2 H 1.571 0.008 . 1098 103 103 LYS HD3 H 1.571 0.008 . 1099 103 103 LYS HE2 H 2.872 0.008 . 1100 103 103 LYS HE3 H 2.872 0.008 . 1101 103 103 LYS C C 174.678 0.19 . 1102 103 103 LYS CA C 55.352 0.19 . 1103 103 103 LYS CB C 30.015 0.19 . 1104 103 103 LYS CG C 22.311 0.19 . 1105 103 103 LYS CD C 26.434 0.19 . 1106 103 103 LYS CE C 39.361 0.19 . 1107 103 103 LYS N N 122.617 0.14 . 1108 104 104 ALA H H 7.860 0.008 . 1109 104 104 ALA HA H 4.125 0.008 . 1110 104 104 ALA HB H 1.319 0.008 . 1111 104 104 ALA C C 176.144 0.19 . 1112 104 104 ALA CA C 50.643 0.19 . 1113 104 104 ALA CB C 15.999 0.19 . 1114 104 104 ALA N N 122.308 0.14 . 1115 105 105 LEU H H 7.816 0.008 . 1116 105 105 LEU HA H 4.117 0.008 . 1117 105 105 LEU HB3 H 1.633 0.008 . 1118 105 105 LEU HG H 1.450 0.008 . 1119 105 105 LEU HD1 H 0.766 0.008 . 1120 105 105 LEU HD2 H 0.804 0.008 . 1121 105 105 LEU C C 175.641 0.19 . 1122 105 105 LEU CA C 53.619 0.19 . 1123 105 105 LEU CB C 39.397 0.19 . 1124 105 105 LEU CD1 C 20.958 0.19 . 1125 105 105 LEU CD2 C 22.199 0.19 . 1126 105 105 LEU N N 119.827 0.14 . 1127 106 106 LEU H H 7.925 0.008 . 1128 106 106 LEU HA H 4.127 0.008 . 1129 106 106 LEU HB2 H 1.642 0.008 . 1130 106 106 LEU HB3 H 1.470 0.008 . 1131 106 106 LEU HD1 H 0.788 0.008 . 1132 106 106 LEU HD2 H 0.733 0.008 . 1133 106 106 LEU C C 175.394 0.19 . 1134 106 106 LEU CA C 53.068 0.19 . 1135 106 106 LEU CB C 39.456 0.19 . 1136 106 106 LEU CD1 C 22.348 0.19 . 1137 106 106 LEU CD2 C 20.668 0.19 . 1138 106 106 LEU N N 120.985 0.14 . 1139 107 107 GLU H H 7.997 0.008 . 1140 107 107 GLU HA H 4.114 0.008 . 1141 107 107 GLU HB2 H 1.910 0.008 . 1142 107 107 GLU HG2 H 2.137 0.008 . 1143 107 107 GLU HG3 H 2.137 0.008 . 1144 107 107 GLU C C 174.156 0.19 . 1145 107 107 GLU CA C 54.401 0.19 . 1146 107 107 GLU CB C 27.384 0.19 . 1147 107 107 GLU CG C 33.595 0.19 . 1148 107 107 GLU N N 120.039 0.14 . 1149 108 108 ARG H H 8.012 0.008 . 1150 108 108 ARG HA H 4.270 0.008 . 1151 108 108 ARG HB2 H 1.746 0.008 . 1152 108 108 ARG HB3 H 1.814 0.008 . 1153 108 108 ARG HG2 H 1.537 0.008 . 1154 108 108 ARG HG3 H 1.537 0.008 . 1155 108 108 ARG HD2 H 3.069 0.008 . 1156 108 108 ARG HD3 H 3.069 0.008 . 1157 108 108 ARG C C 173.932 0.19 . 1158 108 108 ARG CA C 53.796 0.19 . 1159 108 108 ARG CB C 27.912 0.19 . 1160 108 108 ARG CG C 24.477 0.19 . 1161 108 108 ARG CD C 40.689 0.19 . 1162 108 108 ARG N N 120.451 0.14 . 1163 109 109 THR H H 8.031 0.008 . 1164 109 109 THR HA H 4.219 0.008 . 1165 109 109 THR HB H 4.718 0.008 . 1166 109 109 THR HG2 H 1.109 0.008 . 1167 109 109 THR C C 172.444 0.19 . 1168 109 109 THR CA C 59.528 0.19 . 1169 109 109 THR CB C 67.153 0.19 . 1170 109 109 THR CG2 C 18.990 0.19 . 1171 109 109 THR N N 113.983 0.14 . 1172 110 110 GLY H H 8.266 0.008 . 1173 110 110 GLY HA2 H 3.789 0.008 . 1174 110 110 GLY HA3 H 3.856 0.008 . 1175 110 110 GLY C C 171.048 0.19 . 1176 110 110 GLY CA C 42.655 0.19 . 1177 110 110 GLY N N 110.753 0.14 . 1178 111 111 TYR H H 7.917 0.008 . 1179 111 111 TYR HA H 4.518 0.008 . 1180 111 111 TYR HB2 H 2.843 0.008 . 1181 111 111 TYR HB3 H 2.938 0.008 . 1182 111 111 TYR HD1 H 6.983 0.008 . 1183 111 111 TYR HD2 H 6.983 0.008 . 1184 111 111 TYR HE1 H 6.709 0.008 . 1185 111 111 TYR HE2 H 6.709 0.008 . 1186 111 111 TYR C C 172.988 0.19 . 1187 111 111 TYR CA C 55.044 0.19 . 1188 111 111 TYR CB C 36.322 0.19 . 1189 111 111 TYR CD1 C 130.316 0.19 . 1190 111 111 TYR CE1 C 115.394 0.19 . 1191 111 111 TYR N N 119.890 0.14 . 1192 112 112 THR H H 7.949 0.008 . 1193 112 112 THR HA H 4.280 0.008 . 1194 112 112 THR HB H 4.036 0.008 . 1195 112 112 THR HG2 H 1.046 0.008 . 1196 112 112 THR C C 171.094 0.19 . 1197 112 112 THR CA C 58.848 0.19 . 1198 112 112 THR CB C 67.027 0.19 . 1199 112 112 THR CG2 C 18.766 0.19 . 1200 112 112 THR N N 116.266 0.14 . 1201 113 113 LEU H H 8.061 0.008 . 1202 113 113 LEU HA H 4.217 0.008 . 1203 113 113 LEU HB2 H 1.489 0.008 . 1204 113 113 LEU HD2 H 1.489 0.008 . 1205 113 113 LEU C C 173.966 0.19 . 1206 113 113 LEU CA C 52.275 0.19 . 1207 113 113 LEU CB C 39.716 0.19 . 1208 113 113 LEU CD2 C 24.338 0.19 . 1209 113 113 LEU N N 124.493 0.14 . 1210 114 114 ASP H H 8.241 0.008 . 1211 114 114 ASP HA H 4.488 0.008 . 1212 114 114 ASP HB2 H 2.468 0.008 . 1213 114 114 ASP HB3 H 2.624 0.008 . 1214 114 114 ASP C C 173.377 0.19 . 1215 114 114 ASP CA C 51.687 0.19 . 1216 114 114 ASP CB C 38.364 0.19 . 1217 114 114 ASP N N 121.752 0.14 . 1218 115 115 VAL H H 7.999 0.008 . 1219 115 115 VAL HA H 4.130 0.008 . 1220 115 115 VAL HB H 2.047 0.008 . 1221 115 115 VAL HG2 H 0.821 0.008 . 1222 115 115 VAL C C 173.767 0.19 . 1223 115 115 VAL CA C 59.217 0.19 . 1224 115 115 VAL CB C 29.974 0.19 . 1225 115 115 VAL CG1 C 16.614 0.19 . 1226 115 115 VAL CG2 C 17.398 0.19 . 1227 115 115 VAL N N 119.841 0.14 . 1228 116 116 THR H H 8.274 0.008 . 1229 116 116 THR HA H 4.339 0.008 . 1230 116 116 THR HB H 4.097 0.008 . 1231 116 116 THR HG2 H 1.107 0.008 . 1232 116 116 THR C C 172.083 0.19 . 1233 116 116 THR CA C 59.028 0.19 . 1234 116 116 THR CB C 67.157 0.19 . 1235 116 116 THR CG2 C 18.916 0.19 . 1236 116 116 THR N N 117.476 0.14 . 1237 117 117 THR H H 8.017 0.008 . 1238 117 117 THR HB H 4.197 0.008 . 1239 117 117 THR C C 171.438 0.19 . 1240 117 117 THR CA C 50.252 0.19 . 1241 117 117 THR CB C 67.022 0.19 . 1242 117 117 THR CG2 C 20.353 0.19 . 1243 117 117 THR N N 115.649 0.14 . 1244 118 118 GLY H H 7.911 0.008 . 1245 118 118 GLY HA2 H 3.673 0.008 . 1246 118 118 GLY HA3 H 3.673 0.008 . 1247 118 118 GLY CA C 43.478 0.19 . 1248 118 118 GLY N N 117.228 0.14 . stop_ save_