data_6340 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of AT3g03773 from Arabidopsis Thaliana ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Singh Shanteri . . stop_ _BMRB_accession_number 6340 _BMRB_flat_file_name bmr6340.str _Entry_type new _Submission_date 2004-10-06 _Accession_date 2004-10-06 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 795 '15N chemical shifts' 158 '13C chemical shifts' 590 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Solution structure of AT3g03773 from Arabidopsis Thaliana ; _Citation_status "other publication status" _Citation_type "publication other" _MEDLINE_UI_code . _PubMed_ID . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Singh Shanteri . . stop_ _Journal_abbreviation ? _Journal_volume ? _Page_first ? _Page_last ? _Year ? _Details "p23 domain" loop_ _Keyword "Structural Genomics" "Protein Structure Initiative" stop_ save_ ################################## # Molecular system description # ################################## save_system_AT3g03773 _Saveframe_category molecular_system _Mol_system_name "AT3g03773 monomer" _Abbreviation_common AT3g03773 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "AT3g03773 monomer" $AT3g03773_monomer stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' save_ ######################## # Monomeric polymers # ######################## save_AT3g03773_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "Arabidopsis Thaliana" _Name_variant . _Abbreviation_common "Arabidopsis Thaliana" _Mol_thiol_state 'all free' ############################## # Polymer residue sequence # ############################## _Residue_count 150 _Mol_residue_sequence ; MSRNPEVLWAQRSDKVYLTV ALPDAKDISVKCEPQGLFSF SALGAQGERFEFSLELYGKI MTEYRKNVGLRNIIFSIQKE ERSWWTRLLKSEEKPAPYIK VDWNKWCDEDEEVNSETASD DESAFVNQDSESSDDDGLLY LPDLEKARNK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 ARG 4 ASN 5 PRO 6 GLU 7 VAL 8 LEU 9 TRP 10 ALA 11 GLN 12 ARG 13 SER 14 ASP 15 LYS 16 VAL 17 TYR 18 LEU 19 THR 20 VAL 21 ALA 22 LEU 23 PRO 24 ASP 25 ALA 26 LYS 27 ASP 28 ILE 29 SER 30 VAL 31 LYS 32 CYS 33 GLU 34 PRO 35 GLN 36 GLY 37 LEU 38 PHE 39 SER 40 PHE 41 SER 42 ALA 43 LEU 44 GLY 45 ALA 46 GLN 47 GLY 48 GLU 49 ARG 50 PHE 51 GLU 52 PHE 53 SER 54 LEU 55 GLU 56 LEU 57 TYR 58 GLY 59 LYS 60 ILE 61 MET 62 THR 63 GLU 64 TYR 65 ARG 66 LYS 67 ASN 68 VAL 69 GLY 70 LEU 71 ARG 72 ASN 73 ILE 74 ILE 75 PHE 76 SER 77 ILE 78 GLN 79 LYS 80 GLU 81 GLU 82 ARG 83 SER 84 TRP 85 TRP 86 THR 87 ARG 88 LEU 89 LEU 90 LYS 91 SER 92 GLU 93 GLU 94 LYS 95 PRO 96 ALA 97 PRO 98 TYR 99 ILE 100 LYS 101 VAL 102 ASP 103 TRP 104 ASN 105 LYS 106 TRP 107 CYS 108 ASP 109 GLU 110 ASP 111 GLU 112 GLU 113 VAL 114 ASN 115 SER 116 GLU 117 THR 118 ALA 119 SER 120 ASP 121 ASP 122 GLU 123 SER 124 ALA 125 PHE 126 VAL 127 ASN 128 GLN 129 ASP 130 SER 131 GLU 132 SER 133 SER 134 ASP 135 ASP 136 ASP 137 GLY 138 LEU 139 LEU 140 TYR 141 LEU 142 PRO 143 ASP 144 LEU 145 GLU 146 LYS 147 ALA 148 ARG 149 ASN 150 LYS stop_ _Sequence_homology_query_date 2004-11-29 _Sequence_homology_query_revised_last_date 2004-10-22 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 GenBank AAT41786.1 "At3g03773 [Arabidopsis thaliana]" 100.00 150 100 100 10e-84 GenBank AAT68743.1 "hypothetical protein At3g03773[Arabidopsis thaliana]" 100.00 150 100 100 10e-84 GenBank AAT70471.1 "At3g03773 [Arabidopsis thaliana]" 100.00 150 100 100 10e-84 REF NP_683525.2 "expressed protein [Arabidopsisthaliana]" 100.00 150 100 100 10e-84 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AT3g03773_monomer "Thale cress" 3702 Eukaryota Viridiplantae Arabidopsis thaliana 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 $AT3g03773_monomer 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $AT3g03773_monomer 1 mM 0.5 1.0 "[U-13C; U-15N]" Bis-Tris 10 mM . . . NaCl 50 mM . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; HSQC HNCACB CBCACONH HAHBCONH HCCONH CCONH HNCO CCH-TOCSY ; save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 n/a temperature 298 1 K 'ionic strength' 0.05 0.002 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference 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 H2O H 1 protons ppm 4.773 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "AT3g03773 monomer" loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 SER CA C 58.295 0.3 1 2 2 SER HA H 4.609 0.03 1 3 2 SER CB C 64.451 0.3 1 4 2 SER HB3 H 3.701 0.03 2 5 2 SER C C 173.453 0.3 1 6 3 ARG N N 121.912 0.3 1 7 3 ARG H H 8.436 0.03 1 8 3 ARG CA C 55.463 0.3 1 9 3 ARG HA H 4.400 0.03 1 10 3 ARG CB C 32.352 0.3 1 11 3 ARG HB3 H 1.604 0.03 2 12 3 ARG HB2 H 1.288 0.03 2 13 3 ARG CG C 27.073 0.3 1 14 3 ARG HG3 H 1.410 0.03 2 15 3 ARG CD C 43.695 0.3 1 16 3 ARG HD3 H 2.924 0.03 2 17 3 ARG HD2 H 2.983 0.03 2 18 3 ARG C C 175.217 0.3 1 19 4 ASN N N 119.649 0.3 1 20 4 ASN H H 8.542 0.03 1 21 4 ASN CA C 50.787 0.3 1 22 4 ASN HA H 5.451 0.03 1 23 4 ASN CB C 39.321 0.3 1 24 4 ASN HB3 H 1.916 0.03 2 25 4 ASN HB2 H 1.612 0.03 2 26 4 ASN ND2 N 109.812 0.3 1 27 4 ASN HD21 H 7.630 0.03 2 28 4 ASN HD22 H 6.970 0.03 2 29 5 PRO CA C 61.948 0.3 1 30 5 PRO HA H 4.760 0.03 1 31 5 PRO CB C 31.571 0.3 1 32 5 PRO HB3 H 1.730 0.03 2 33 5 PRO HB2 H 1.840 0.03 2 34 5 PRO CG C 26.848 0.3 1 35 5 PRO HG3 H 1.724 0.03 2 36 5 PRO CD C 50.138 0.3 1 37 5 PRO HD3 H 4.014 0.03 2 38 5 PRO HD2 H 3.630 0.03 2 39 5 PRO C C 172.920 0.3 1 40 6 GLU N N 116.933 0.3 1 41 6 GLU H H 8.142 0.03 1 42 6 GLU CA C 57.527 0.3 1 43 6 GLU HA H 4.646 0.03 1 44 6 GLU CB C 31.044 0.3 1 45 6 GLU HB3 H 1.961 0.03 2 46 6 GLU HB2 H 1.977 0.03 2 47 6 GLU CG C 37.814 0.3 1 48 6 GLU HG3 H 2.329 0.03 2 49 6 GLU HG2 H 2.160 0.03 2 50 6 GLU C C 175.455 0.3 1 51 7 VAL N N 124.930 0.3 1 52 7 VAL H H 8.893 0.03 1 53 7 VAL CA C 61.046 0.3 1 54 7 VAL HA H 4.671 0.03 1 55 7 VAL CB C 34.932 0.3 1 56 7 VAL HB H 1.640 0.03 1 57 7 VAL CG2 C 21.222 0.3 1 58 7 VAL HG2 H 0.502 0.03 2 59 7 VAL CG1 C 21.255 0.3 1 60 7 VAL HG1 H 0.130 0.03 2 61 7 VAL C C 173.641 0.3 1 62 8 LEU N N 125.232 0.3 1 63 8 LEU H H 9.291 0.03 1 64 8 LEU CA C 52.722 0.3 1 65 8 LEU HA H 5.704 0.03 1 66 8 LEU CB C 44.101 0.3 1 67 8 LEU HB3 H 1.122 0.03 2 68 8 LEU HB2 H 1.570 0.03 2 69 8 LEU CG C 27.935 0.3 1 70 8 LEU HG H 1.353 0.03 1 71 8 LEU CD1 C 24.414 0.3 1 72 8 LEU CD2 C 25.789 0.3 1 73 8 LEU HD2 H 0.774 0.03 2 74 8 LEU C C 178.008 0.3 1 75 9 TRP N N 124.025 0.3 1 76 9 TRP H H 9.233 0.03 1 77 9 TRP CA C 54.651 0.3 1 78 9 TRP HA H 6.380 0.03 1 79 9 TRP CB C 34.694 0.3 1 80 9 TRP HB3 H 3.547 0.03 2 81 9 TRP HB2 H 2.646 0.03 2 82 9 TRP HD1 H 6.971 0.03 1 83 9 TRP NE1 N 130.769 0.3 1 84 9 TRP HE1 H 10.543 0.03 4 85 9 TRP HZ2 H 7.499 0.03 4 86 9 TRP C C 173.300 0.3 1 87 10 ALA N N 120.263 0.3 1 88 10 ALA H H 9.014 0.03 1 89 10 ALA CA C 51.361 0.3 1 90 10 ALA HA H 4.050 0.03 1 91 10 ALA CB C 23.144 0.3 1 92 10 ALA HB H 1.410 0.03 1 93 10 ALA C C 174.733 0.3 1 94 11 GLN N N 113.335 0.3 1 95 11 GLN H H 8.409 0.03 1 96 11 GLN CA C 54.376 0.3 1 97 11 GLN HA H 4.645 0.03 1 98 11 GLN CB C 32.834 0.3 1 99 11 GLN HB3 H 1.951 0.03 2 100 11 GLN HB2 H 1.895 0.03 2 101 11 GLN CG C 36.414 0.3 1 102 11 GLN HG3 H 1.815 0.03 2 103 11 GLN HG2 H 1.660 0.03 2 104 11 GLN NE2 N 113.557 0.3 1 105 11 GLN HE21 H 7.644 0.03 2 106 11 GLN HE22 H 6.930 0.03 2 107 11 GLN C C 174.385 0.3 1 108 12 ARG N N 119.800 0.3 1 109 12 ARG H H 8.741 0.03 1 110 12 ARG CA C 53.506 0.3 1 111 12 ARG HA H 4.669 0.03 1 112 12 ARG CB C 33.553 0.3 1 113 12 ARG HB3 H 1.536 0.03 2 114 12 ARG HB2 H 2.388 0.03 2 115 12 ARG CG C 29.388 0.3 1 116 12 ARG HG3 H 1.624 0.03 2 117 12 ARG CD C 45.254 0.3 1 118 12 ARG HD3 H 2.955 0.03 2 119 12 ARG HD2 H 3.105 0.03 2 120 12 ARG C C 177.142 0.3 1 121 13 SER N N 122.333 0.3 1 122 13 SER H H 10.845 0.03 1 123 13 SER CA C 64.478 0.3 1 124 13 SER HA H 3.715 0.03 1 125 13 SER CB C 62.374 0.3 1 126 13 SER HB3 H 3.900 0.03 2 127 13 SER C C 172.861 0.3 1 128 14 ASP N N 110.634 0.3 1 129 14 ASP H H 8.491 0.03 1 130 14 ASP CA C 52.979 0.3 1 131 14 ASP HA H 4.599 0.03 1 132 14 ASP CB C 42.030 0.3 1 133 14 ASP HB3 H 2.863 0.03 2 134 14 ASP HB2 H 2.310 0.03 2 135 14 ASP C C 176.380 0.3 1 136 15 LYS N N 116.821 0.3 1 137 15 LYS H H 6.693 0.03 1 138 15 LYS CA C 55.420 0.3 1 139 15 LYS HA H 5.197 0.03 1 140 15 LYS CB C 37.268 0.3 1 141 15 LYS HB3 H 1.260 0.03 2 142 15 LYS HB2 H 0.970 0.03 2 143 15 LYS CG C 23.447 0.3 1 144 15 LYS HG3 H 1.012 0.03 2 145 15 LYS HG2 H 0.712 0.03 2 146 15 LYS CD C 29.297 0.3 1 147 15 LYS HD3 H 1.298 0.03 2 148 15 LYS HD2 H 1.194 0.03 2 149 15 LYS CE C 41.697 0.3 1 150 15 LYS HE3 H 2.735 0.03 2 151 15 LYS HE2 H 3.067 0.03 2 152 15 LYS C C 173.701 0.3 1 153 16 VAL N N 121.309 0.3 1 154 16 VAL H H 9.185 0.03 1 155 16 VAL CA C 61.514 0.3 1 156 16 VAL HA H 4.078 0.03 1 157 16 VAL CB C 35.363 0.3 1 158 16 VAL HB H 1.400 0.03 1 159 16 VAL CG2 C 21.887 0.3 1 160 16 VAL HG2 H 0.097 0.03 2 161 16 VAL CG1 C 20.840 0.3 1 162 16 VAL HG1 H 0.731 0.03 2 163 16 VAL C C 173.314 0.3 1 164 17 TYR N N 124.243 0.3 1 165 17 TYR H H 8.660 0.03 1 166 17 TYR CA C 56.309 0.3 1 167 17 TYR HA H 5.500 0.03 1 168 17 TYR CB C 41.154 0.3 1 169 17 TYR HB3 H 2.930 0.03 2 170 17 TYR HB2 H 2.360 0.03 2 171 17 TYR HD1 H 6.676 0.03 3 172 17 TYR HE1 H 6.508 0.03 3 173 17 TYR C C 175.467 0.3 1 174 18 LEU N N 120.693 0.3 1 175 18 LEU H H 8.750 0.03 1 176 18 LEU CA C 53.393 0.3 1 177 18 LEU HA H 5.201 0.03 1 178 18 LEU CB C 45.765 0.3 1 179 18 LEU HB3 H 1.615 0.03 2 180 18 LEU HB2 H 1.066 0.03 2 181 18 LEU CG C 26.641 0.3 1 182 18 LEU HG H 1.299 0.03 1 183 18 LEU CD1 C 24.167 0.3 1 184 18 LEU HD1 H 0.669 0.03 2 185 18 LEU CD2 C 26.069 0.3 1 186 18 LEU HD2 H 0.130 0.03 2 187 18 LEU C C 175.516 0.3 1 188 19 THR N N 122.507 0.3 1 189 19 THR H H 9.542 0.03 1 190 19 THR CA C 62.547 0.3 1 191 19 THR HA H 5.170 0.03 1 192 19 THR CB C 69.314 0.3 1 193 19 THR HB H 4.023 0.03 1 194 19 THR CG2 C 20.661 0.3 1 195 19 THR HG2 H 0.931 0.03 1 196 19 THR C C 173.566 0.3 1 197 20 VAL N N 127.242 0.3 1 198 20 VAL H H 9.689 0.03 1 199 20 VAL CA C 61.155 0.3 1 200 20 VAL HA H 4.517 0.03 1 201 20 VAL CB C 33.153 0.3 1 202 20 VAL HB H 2.040 0.03 1 203 20 VAL CG2 C 21.604 0.3 1 204 20 VAL HG2 H 0.506 0.03 2 205 20 VAL CG1 C 21.171 0.3 1 206 20 VAL HG1 H 0.826 0.03 2 207 20 VAL C C 176.093 0.3 1 208 21 ALA N N 134.403 0.3 1 209 21 ALA H H 8.816 0.03 1 210 21 ALA CA C 51.886 0.3 1 211 21 ALA HA H 4.583 0.03 1 212 21 ALA CB C 17.674 0.3 1 213 21 ALA HB H 1.340 0.03 1 214 21 ALA C C 174.974 0.3 1 215 22 LEU N N 125.685 0.3 1 216 22 LEU H H 7.595 0.03 1 217 22 LEU CA C 51.761 0.3 1 218 22 LEU HA H 4.576 0.03 1 219 22 LEU CB C 44.839 0.3 1 220 22 LEU HB3 H 0.805 0.03 2 221 22 LEU HB2 H 1.628 0.03 2 222 22 LEU CG C 27.236 0.3 1 223 22 LEU HG H 1.140 0.03 1 224 22 LEU CD1 C 26.323 0.3 1 225 22 LEU HD1 H 0.568 0.03 2 226 22 LEU CD2 C 23.888 0.3 1 227 22 LEU HD2 H 0.248 0.03 2 228 23 PRO CA C 62.312 0.3 1 229 23 PRO HA H 4.274 0.03 1 230 23 PRO CB C 33.053 0.3 1 231 23 PRO HB3 H 2.255 0.03 2 232 23 PRO HB2 H 1.920 0.03 2 233 23 PRO CG C 27.243 0.3 1 234 23 PRO HG3 H 2.031 0.03 2 235 23 PRO HG2 H 1.923 0.03 2 236 23 PRO CD C 51.076 0.3 1 237 23 PRO HD3 H 3.736 0.03 2 238 23 PRO HD2 H 3.863 0.03 2 239 23 PRO C C 175.812 0.3 1 240 24 ASP N N 118.354 0.3 1 241 24 ASP H H 8.113 0.03 1 242 24 ASP CA C 54.990 0.3 1 243 24 ASP HA H 4.529 0.03 1 244 24 ASP CB C 40.464 0.3 1 245 24 ASP HB3 H 2.850 0.03 2 246 24 ASP HB2 H 2.460 0.03 2 247 24 ASP C C 174.468 0.3 1 248 25 ALA N N 118.984 0.3 1 249 25 ALA H H 8.119 0.03 1 250 25 ALA CA C 53.059 0.3 1 251 25 ALA HA H 4.410 0.03 1 252 25 ALA CB C 20.861 0.3 1 253 25 ALA HB H 1.256 0.03 1 254 25 ALA C C 178.287 0.3 1 255 26 LYS N N 119.881 0.3 1 256 26 LYS H H 8.924 0.03 1 257 26 LYS CA C 54.425 0.3 1 258 26 LYS HA H 4.645 0.03 1 259 26 LYS CB C 36.208 0.3 1 260 26 LYS HB3 H 1.815 0.03 2 261 26 LYS HB2 H 1.660 0.03 2 262 26 LYS CG C 24.377 0.3 1 263 26 LYS HG3 H 1.374 0.03 1 264 26 LYS HG2 H 1.374 0.03 1 265 26 LYS CD C 29.061 0.3 1 266 26 LYS HD3 H 1.641 0.03 2 267 26 LYS HD2 H 1.586 0.03 2 268 26 LYS CE C 42.441 0.3 1 269 26 LYS HE3 H 2.912 0.03 2 270 26 LYS C C 174.385 0.3 1 271 27 ASP N N 120.103 0.3 1 272 27 ASP H H 8.717 0.03 1 273 27 ASP CA C 54.960 0.3 1 274 27 ASP HA H 4.145 0.03 1 275 27 ASP CB C 39.646 0.3 1 276 27 ASP HB3 H 2.820 0.03 2 277 27 ASP HB2 H 2.430 0.03 2 278 27 ASP C C 174.714 0.3 1 279 28 ILE N N 117.838 0.3 1 280 28 ILE H H 8.131 0.03 1 281 28 ILE CA C 62.545 0.3 1 282 28 ILE HA H 4.008 0.03 1 283 28 ILE CB C 39.048 0.3 1 284 28 ILE HB H 1.702 0.03 1 285 28 ILE CG1 C 29.162 0.3 2 286 28 ILE HG13 H 1.452 0.03 1 287 28 ILE HG12 H 0.812 0.03 1 288 28 ILE CD1 C 15.791 0.3 1 289 28 ILE HD1 H 0.934 0.03 1 290 28 ILE CG2 C 18.203 0.3 1 291 28 ILE HG2 H 0.841 0.03 1 292 28 ILE C C 177.229 0.3 1 293 29 SER N N 125.524 0.3 1 294 29 SER H H 9.140 0.03 1 295 29 SER CA C 57.293 0.3 1 296 29 SER HA H 4.688 0.03 1 297 29 SER CB C 64.512 0.3 1 298 29 SER HB3 H 3.583 0.03 2 299 29 SER HB2 H 3.511 0.03 2 300 29 SER C C 173.048 0.3 1 301 30 VAL N N 126.891 0.3 1 302 30 VAL H H 8.373 0.03 1 303 30 VAL CA C 59.908 0.3 1 304 30 VAL HA H 4.690 0.03 1 305 30 VAL CB C 36.628 0.3 1 306 30 VAL HB H 1.695 0.03 1 307 30 VAL CG2 C 22.629 0.3 1 308 30 VAL HG2 H 0.720 0.03 2 309 30 VAL CG1 C 22.633 0.3 1 310 30 VAL HG1 H -0.078 0.03 2 311 30 VAL C C 175.420 0.3 1 312 31 LYS N N 127.029 0.3 1 313 31 LYS H H 8.148 0.03 1 314 31 LYS CA C 55.319 0.3 1 315 31 LYS HA H 4.507 0.03 1 316 31 LYS CB C 35.137 0.3 1 317 31 LYS HB3 H 1.600 0.03 2 318 31 LYS HB2 H 1.495 0.03 2 319 31 LYS CG C 24.791 0.3 1 320 31 LYS HG3 H 1.210 0.03 2 321 31 LYS HG2 H 1.193 0.03 2 322 31 LYS CD C 29.158 0.3 1 323 31 LYS HD3 H 1.550 0.03 2 324 31 LYS HD2 H 1.551 0.03 2 325 31 LYS CE C 42.173 0.3 1 326 31 LYS HE3 H 2.831 0.03 2 327 31 LYS HE2 H 2.828 0.03 2 328 31 LYS C C 173.874 0.3 1 329 32 CYS N N 125.723 0.3 1 330 32 CYS H H 8.782 0.03 1 331 32 CYS CA C 57.696 0.3 1 332 32 CYS HA H 5.169 0.03 1 333 32 CYS CB C 29.158 0.3 1 334 32 CYS HB3 H 3.030 0.03 2 335 32 CYS HB2 H 2.500 0.03 2 336 32 CYS C C 173.435 0.3 1 337 33 GLU N N 124.192 0.3 1 338 33 GLU H H 9.028 0.03 1 339 33 GLU CA C 53.628 0.3 1 340 33 GLU HA H 4.995 0.03 1 341 33 GLU CB C 31.067 0.3 1 342 33 GLU HB3 H 2.503 0.03 2 343 33 GLU HB2 H 1.783 0.03 2 344 33 GLU CG C 36.278 0.3 1 345 33 GLU HG3 H 2.164 0.03 1 346 33 GLU HG2 H 2.164 0.03 1 347 34 PRO CA C 64.891 0.3 1 348 34 PRO HA H 4.708 0.03 1 349 34 PRO CB C 33.012 0.3 1 350 34 PRO HB3 H 2.490 0.03 2 351 34 PRO HB2 H 2.145 0.03 2 352 34 PRO CG C 27.626 0.3 1 353 34 PRO HG3 H 2.458 0.03 2 354 34 PRO HG2 H 2.145 0.03 2 355 34 PRO CD C 51.499 0.3 1 356 34 PRO HD3 H 3.850 0.03 2 357 34 PRO C C 176.875 0.3 1 358 35 GLN N N 115.362 0.3 1 359 35 GLN H H 8.983 0.03 1 360 35 GLN CA C 57.789 0.3 1 361 35 GLN HA H 4.160 0.03 1 362 35 GLN CB C 27.056 0.3 1 363 35 GLN HB3 H 2.075 0.03 2 364 35 GLN HB2 H 1.925 0.03 2 365 35 GLN CG C 33.129 0.3 1 366 35 GLN HG3 H 2.490 0.03 2 367 35 GLN HG2 H 2.121 0.03 2 368 35 GLN NE2 N 113.013 0.3 1 369 35 GLN HE21 H 7.680 0.03 2 370 35 GLN HE22 H 7.381 0.03 2 371 35 GLN C C 175.331 0.3 1 372 36 GLY N N 107.524 0.3 1 373 36 GLY H H 8.574 0.03 1 374 36 GLY CA C 45.737 0.3 1 375 36 GLY HA3 H 4.410 0.03 2 376 36 GLY HA2 H 3.540 0.03 2 377 36 GLY C C 172.218 0.3 1 378 37 LEU N N 123.000 0.3 1 379 37 LEU H H 7.214 0.03 1 380 37 LEU CA C 54.535 0.3 1 381 37 LEU HA H 5.204 0.03 1 382 37 LEU CB C 44.488 0.3 1 383 37 LEU HB3 H 1.580 0.03 2 384 37 LEU HB2 H 1.412 0.03 2 385 37 LEU CG C 27.794 0.3 1 386 37 LEU HG H 1.365 0.03 1 387 37 LEU CD1 C 25.001 0.3 1 388 37 LEU HD1 H 0.720 0.03 2 389 37 LEU CD2 C 24.219 0.3 1 390 37 LEU HD2 H 0.742 0.03 2 391 37 LEU C C 174.364 0.3 1 392 38 PHE N N 127.058 0.3 1 393 38 PHE H H 8.855 0.03 1 394 38 PHE CA C 57.295 0.3 1 395 38 PHE HA H 5.158 0.03 1 396 38 PHE CB C 43.118 0.3 1 397 38 PHE HB3 H 2.920 0.03 2 398 38 PHE HB2 H 2.558 0.03 2 399 38 PHE HD1 H 6.838 0.03 3 400 38 PHE C C 174.805 0.3 1 401 39 SER N N 122.667 0.3 1 402 39 SER H H 8.537 0.03 1 403 39 SER CA C 56.851 0.3 1 404 39 SER HA H 4.956 0.03 1 405 39 SER CB C 65.304 0.3 1 406 39 SER HB3 H 3.615 0.03 2 407 39 SER HB2 H 3.569 0.03 2 408 39 SER C C 170.917 0.3 1 409 40 PHE N N 124.529 0.3 1 410 40 PHE H H 8.331 0.03 1 411 40 PHE CA C 56.449 0.3 1 412 40 PHE HA H 4.748 0.03 1 413 40 PHE CB C 44.257 0.3 1 414 40 PHE HB3 H 1.962 0.03 2 415 40 PHE HB2 H 1.346 0.03 2 416 40 PHE C C 173.909 0.3 1 417 41 SER N N 123.120 0.3 1 418 41 SER H H 7.871 0.03 1 419 41 SER CA C 56.916 0.3 1 420 41 SER HA H 5.126 0.03 1 421 41 SER CB C 65.438 0.3 1 422 41 SER HB3 H 3.572 0.03 2 423 41 SER HB2 H 3.681 0.03 2 424 41 SER C C 171.828 0.3 1 425 42 ALA N N 122.818 0.3 1 426 42 ALA H H 8.755 0.03 1 427 42 ALA CA C 51.875 0.3 1 428 42 ALA HA H 4.559 0.03 1 429 42 ALA CB C 24.835 0.3 1 430 42 ALA HB H 1.200 0.03 1 431 42 ALA C C 174.949 0.3 1 432 43 LEU N N 119.498 0.3 1 433 43 LEU H H 8.763 0.03 1 434 43 LEU CA C 53.705 0.3 1 435 43 LEU HA H 5.285 0.03 1 436 43 LEU CB C 45.121 0.3 1 437 43 LEU HB3 H 1.560 0.03 2 438 43 LEU HB2 H 1.390 0.03 2 439 43 LEU CG C 27.317 0.3 1 440 43 LEU HG H 1.618 0.03 1 441 43 LEU CD1 C 25.402 0.3 1 442 43 LEU HD1 H 0.826 0.03 2 443 43 LEU CD2 C 23.848 0.3 1 444 43 LEU HD2 H 0.732 0.03 2 445 43 LEU C C 177.536 0.3 1 446 44 GLY N N 107.551 0.3 1 447 44 GLY H H 8.994 0.03 1 448 44 GLY CA C 43.815 0.3 1 449 44 GLY HA3 H 4.590 0.03 2 450 44 GLY HA2 H 3.825 0.03 2 451 44 GLY C C 175.107 0.3 1 452 45 ALA N N 123.723 0.3 1 453 45 ALA H H 8.829 0.03 1 454 45 ALA CA C 54.360 0.3 1 455 45 ALA HA H 4.170 0.03 1 456 45 ALA CB C 19.122 0.3 1 457 45 ALA HB H 1.491 0.03 1 458 45 ALA C C 179.098 0.3 1 459 46 GLN N N 114.830 0.3 1 460 46 GLN H H 8.865 0.03 1 461 46 GLN CA C 56.056 0.3 1 462 46 GLN HA H 4.280 0.03 1 463 46 GLN CB C 27.750 0.3 1 464 46 GLN HB3 H 2.351 0.03 2 465 46 GLN HB2 H 2.200 0.03 2 466 46 GLN CG C 34.801 0.3 1 467 46 GLN HG3 H 2.362 0.03 2 468 46 GLN HG2 H 2.345 0.03 2 469 46 GLN NE2 N 112.404 0.3 1 470 46 GLN HE21 H 7.611 0.03 2 471 46 GLN HE22 H 6.859 0.03 2 472 46 GLN C C 176.386 0.3 1 473 47 GLY N N 107.007 0.3 1 474 47 GLY H H 8.244 0.03 1 475 47 GLY CA C 46.177 0.3 1 476 47 GLY HA3 H 4.125 0.03 2 477 47 GLY HA2 H 3.574 0.03 2 478 47 GLY C C 173.732 0.3 1 479 48 GLU N N 121.460 0.3 1 480 48 GLU H H 7.940 0.03 1 481 48 GLU CA C 56.357 0.3 1 482 48 GLU HA H 4.120 0.03 1 483 48 GLU CB C 30.569 0.3 1 484 48 GLU HB3 H 1.877 0.03 2 485 48 GLU HB2 H 1.745 0.03 2 486 48 GLU CG C 36.560 0.3 1 487 48 GLU HG3 H 2.137 0.03 2 488 48 GLU HG2 H 1.901 0.03 2 489 48 GLU C C 174.453 0.3 1 490 49 ARG N N 124.176 0.3 1 491 49 ARG H H 8.378 0.03 1 492 49 ARG CA C 55.763 0.3 1 493 49 ARG HA H 4.848 0.03 1 494 49 ARG CB C 31.219 0.3 1 495 49 ARG HB3 H 1.751 0.03 2 496 49 ARG HB2 H 1.491 0.03 2 497 49 ARG CG C 27.528 0.3 1 498 49 ARG CD C 42.820 0.3 1 499 49 ARG HD3 H 3.074 0.03 2 500 49 ARG C C 175.045 0.3 1 501 50 PHE N N 125.202 0.3 1 502 50 PHE H H 9.258 0.03 1 503 50 PHE CA C 56.724 0.3 1 504 50 PHE HA H 5.376 0.03 1 505 50 PHE CB C 43.352 0.3 1 506 50 PHE HB3 H 2.879 0.03 2 507 50 PHE HB2 H 2.728 0.03 2 508 50 PHE C C 175.041 0.3 1 509 51 GLU N N 117.986 0.3 1 510 51 GLU H H 8.732 0.03 1 511 51 GLU CA C 54.942 0.3 1 512 51 GLU HA H 5.607 0.03 1 513 51 GLU CB C 35.116 0.3 1 514 51 GLU HB3 H 2.060 0.03 2 515 51 GLU HB2 H 1.979 0.03 2 516 51 GLU CG C 36.282 0.3 1 517 51 GLU HG3 H 2.221 0.03 2 518 51 GLU HG2 H 2.099 0.03 2 519 51 GLU C C 175.360 0.3 1 520 52 PHE N N 113.900 0.3 1 521 52 PHE H H 8.480 0.03 1 522 52 PHE CA C 58.492 0.3 1 523 52 PHE HA H 4.863 0.03 1 524 52 PHE CB C 40.753 0.3 1 525 52 PHE HB3 H 3.357 0.03 2 526 52 PHE HB2 H 3.341 0.03 2 527 52 PHE HD1 H 6.855 0.03 3 528 52 PHE C C 172.675 0.3 1 529 53 SER N N 114.536 0.3 1 530 53 SER H H 8.569 0.03 1 531 53 SER CA C 57.701 0.3 1 532 53 SER HA H 5.252 0.03 1 533 53 SER CB C 65.030 0.3 1 534 53 SER HB3 H 3.714 0.03 2 535 53 SER C C 172.778 0.3 1 536 54 LEU N N 123.408 0.3 1 537 54 LEU H H 9.394 0.03 1 538 54 LEU CA C 53.417 0.3 1 539 54 LEU HA H 4.879 0.03 1 540 54 LEU CB C 45.402 0.3 1 541 54 LEU HB3 H 1.930 0.03 2 542 54 LEU HB2 H 1.280 0.03 2 543 54 LEU CG C 27.330 0.3 1 544 54 LEU HG H 0.855 0.03 1 545 54 LEU CD1 C 23.476 0.3 1 546 54 LEU HD1 H 1.010 0.03 2 547 54 LEU CD2 C 23.504 0.3 1 548 54 LEU HD2 H 0.737 0.03 2 549 54 LEU C C 175.175 0.3 1 550 55 GLU N N 123.743 0.3 1 551 55 GLU H H 8.494 0.03 1 552 55 GLU CA C 55.609 0.3 1 553 55 GLU HA H 4.734 0.03 1 554 55 GLU CB C 29.579 0.3 1 555 55 GLU HB3 H 1.960 0.03 2 556 55 GLU HB2 H 1.799 0.03 2 557 55 GLU CG C 36.837 0.3 1 558 55 GLU HG3 H 2.117 0.03 2 559 55 GLU HG2 H 1.981 0.03 2 560 55 GLU C C 176.048 0.3 1 561 56 LEU N N 125.524 0.3 1 562 56 LEU H H 8.982 0.03 1 563 56 LEU CA C 55.520 0.3 1 564 56 LEU CB C 43.347 0.3 1 565 57 TYR N N 119.474 0.3 1 566 57 TYR H H 8.113 0.03 1 567 57 TYR CA C 61.159 0.3 1 568 57 TYR HA H 2.939 0.03 1 569 57 TYR CB C 39.674 0.3 1 570 57 TYR HB3 H 2.215 0.03 2 571 57 TYR HB2 H 1.277 0.03 2 572 57 TYR HD1 H 5.934 0.03 3 573 57 TYR HE1 H 6.609 0.03 3 574 58 GLY CA C 42.569 0.3 1 575 58 GLY HA3 H 4.131 0.03 2 576 58 GLY HA2 H 2.870 0.03 2 577 58 GLY C C 170.013 0.3 1 578 59 LYS N N 112.574 0.3 1 579 59 LYS H H 7.489 0.03 1 580 59 LYS CA C 57.320 0.3 1 581 59 LYS HA H 4.108 0.03 1 582 59 LYS CB C 33.559 0.3 1 583 59 LYS HB3 H 1.499 0.03 2 584 59 LYS CG C 24.844 0.3 1 585 59 LYS CD C 29.128 0.3 1 586 59 LYS HD3 H 2.109 0.03 2 587 59 LYS HD2 H 2.036 0.03 2 588 59 LYS CE C 41.897 0.3 1 589 59 LYS HE3 H 2.882 0.03 2 590 59 LYS C C 179.037 0.3 1 591 60 ILE N N 114.013 0.3 1 592 60 ILE H H 8.504 0.03 1 593 60 ILE CA C 60.090 0.3 1 594 60 ILE HA H 5.150 0.03 1 595 60 ILE CB C 42.923 0.3 1 596 60 ILE HB H 2.035 0.03 1 597 60 ILE CG1 C 25.447 0.3 2 598 60 ILE CD1 C 18.187 0.3 1 599 60 ILE HD1 H 0.940 0.03 1 600 60 ILE CG2 C 22.705 0.3 1 601 60 ILE C C 174.989 0.3 1 602 61 MET N N 117.477 0.3 1 603 61 MET H H 8.342 0.03 1 604 61 MET CA C 54.192 0.3 1 605 61 MET HA H 4.815 0.03 1 606 61 MET CB C 32.420 0.3 1 607 61 MET HB3 H 2.427 0.03 2 608 61 MET HB2 H 2.396 0.03 2 609 61 MET C C 177.674 0.3 1 610 62 THR N N 111.039 0.3 1 611 62 THR H H 8.491 0.03 1 612 62 THR CA C 64.518 0.3 1 613 62 THR HA H 4.224 0.03 1 614 62 THR CB C 68.964 0.3 1 615 62 THR HB H 4.425 0.03 1 616 62 THR CG2 C 22.541 0.3 1 617 62 THR HG2 H 1.313 0.03 1 618 62 THR C C 175.493 0.3 1 619 63 GLU N N 120.705 0.3 1 620 63 GLU H H 7.582 0.03 1 621 63 GLU CA C 56.300 0.3 1 622 63 GLU HA H 4.531 0.03 1 623 63 GLU CB C 29.058 0.3 1 624 63 GLU HB3 H 1.920 0.03 2 625 63 GLU HB2 H 2.050 0.03 2 626 63 GLU CG C 36.389 0.3 1 627 63 GLU HG3 H 2.193 0.03 2 628 63 GLU C C 175.723 0.3 1 629 64 TYR N N 124.643 0.3 1 630 64 TYR H H 7.802 0.03 1 631 64 TYR CA C 55.815 0.3 1 632 64 TYR HA H 5.170 0.03 1 633 64 TYR CB C 40.938 0.3 1 634 64 TYR HB3 H 3.340 0.03 2 635 64 TYR HB2 H 3.242 0.03 2 636 64 TYR C C 173.864 0.3 1 637 65 ARG N N 119.177 0.3 1 638 65 ARG H H 8.650 0.03 1 639 65 ARG CA C 54.700 0.3 1 640 65 ARG HA H 4.919 0.03 1 641 65 ARG CB C 33.579 0.3 1 642 65 ARG HB3 H 1.920 0.03 2 643 65 ARG HB2 H 1.737 0.03 2 644 65 ARG CG C 27.621 0.3 1 645 65 ARG HG3 H 1.598 0.03 2 646 65 ARG HG2 H 1.706 0.03 2 647 65 ARG CD C 43.595 0.3 1 648 65 ARG HD3 H 3.122 0.03 2 649 65 ARG C C 175.286 0.3 1 650 66 LYS N N 121.620 0.3 1 651 66 LYS H H 9.027 0.03 1 652 66 LYS CA C 54.615 0.3 1 653 66 LYS HA H 5.439 0.03 1 654 66 LYS CB C 37.420 0.3 1 655 66 LYS HB3 H 1.910 0.03 2 656 66 LYS HB2 H 1.424 0.03 2 657 66 LYS CG C 24.290 0.3 1 658 66 LYS HG3 H 1.424 0.03 2 659 66 LYS HG2 H 1.158 0.03 2 660 66 LYS CD C 30.164 0.3 1 661 66 LYS HD3 H 1.854 0.03 2 662 66 LYS HD2 H 1.556 0.03 2 663 66 LYS CE C 42.225 0.3 1 664 66 LYS HE3 H 3.072 0.03 2 665 66 LYS HE2 H 2.733 0.03 2 666 66 LYS C C 173.964 0.3 1 667 67 ASN N N 122.210 0.3 1 668 67 ASN H H 8.749 0.03 1 669 67 ASN CA C 52.876 0.3 1 670 67 ASN HA H 4.887 0.03 1 671 67 ASN CB C 41.079 0.3 1 672 67 ASN HB3 H 2.611 0.03 2 673 67 ASN HB2 H 2.310 0.03 2 674 67 ASN ND2 N 111.348 0.3 1 675 67 ASN HD21 H 6.750 0.03 2 676 67 ASN HD22 H 7.367 0.03 2 677 67 ASN C C 174.144 0.3 1 678 68 VAL N N 127.894 0.3 1 679 68 VAL H H 9.030 0.03 1 680 68 VAL CA C 63.712 0.3 1 681 68 VAL HA H 3.964 0.03 1 682 68 VAL CB C 31.975 0.3 1 683 68 VAL HB H 2.139 0.03 1 684 68 VAL CG2 C 21.563 0.3 1 685 68 VAL HG2 H 0.905 0.03 2 686 68 VAL CG1 C 21.563 0.3 1 687 68 VAL HG1 H 0.998 0.03 2 688 68 VAL C C 174.989 0.3 1 689 69 GLY N N 117.729 0.3 1 690 69 GLY H H 8.373 0.03 1 691 69 GLY CA C 43.931 0.3 1 692 69 GLY HA3 H 4.663 0.03 2 693 69 GLY HA2 H 3.959 0.03 2 694 69 GLY C C 173.562 0.3 1 695 70 LEU N N 118.895 0.3 1 696 70 LEU H H 8.556 0.03 1 697 70 LEU CA C 57.713 0.3 1 698 70 LEU HA H 4.211 0.03 1 699 70 LEU CB C 42.800 0.3 1 700 70 LEU HB3 H 1.658 0.03 2 701 70 LEU HB2 H 1.536 0.03 2 702 70 LEU CG C 27.342 0.3 1 703 70 LEU HG H 2.089 0.03 1 704 70 LEU CD1 C 25.082 0.3 1 705 70 LEU HD1 H 1.342 0.03 2 706 70 LEU CD2 C 23.452 0.3 1 707 70 LEU HD2 H 0.885 0.03 2 708 70 LEU C C 179.462 0.3 1 709 71 ARG N N 114.022 0.3 1 710 71 ARG H H 8.660 0.03 1 711 71 ARG CA C 55.964 0.3 1 712 71 ARG HA H 4.335 0.03 1 713 71 ARG CB C 32.188 0.3 1 714 71 ARG HB3 H 1.846 0.03 2 715 71 ARG HB2 H 1.625 0.03 2 716 71 ARG CG C 27.500 0.3 1 717 71 ARG HG3 H 1.590 0.03 2 718 71 ARG HG2 H 1.833 0.03 2 719 71 ARG CD C 42.906 0.3 1 720 71 ARG HD3 H 3.110 0.03 2 721 71 ARG C C 174.716 0.3 1 722 72 ASN N N 112.703 0.3 1 723 72 ASN H H 7.384 0.03 1 724 72 ASN CA C 51.894 0.3 1 725 72 ASN HA H 4.497 0.03 1 726 72 ASN CB C 41.261 0.3 1 727 72 ASN HB3 H 2.743 0.03 2 728 72 ASN HB2 H 2.471 0.03 2 729 72 ASN ND2 N 112.692 0.3 1 730 72 ASN HD21 H 7.294 0.03 2 731 72 ASN HD22 H 6.626 0.03 2 732 72 ASN C C 172.962 0.3 1 733 73 ILE N N 117.728 0.3 1 734 73 ILE H H 8.441 0.03 1 735 73 ILE CA C 60.816 0.3 1 736 73 ILE HA H 4.660 0.03 1 737 73 ILE CB C 42.998 0.3 1 738 73 ILE HB H 1.600 0.03 1 739 73 ILE CG1 C 27.986 0.3 2 740 73 ILE HG13 H 1.084 0.03 1 741 73 ILE HG12 H 1.819 0.03 1 742 73 ILE CD1 C 16.891 0.3 1 743 73 ILE HD1 H 0.800 0.03 1 744 73 ILE CG2 C 20.357 0.3 1 745 73 ILE HG2 H 0.403 0.03 1 746 73 ILE C C 174.485 0.3 1 747 74 ILE N N 125.232 0.3 1 748 74 ILE H H 8.535 0.03 1 749 74 ILE CA C 60.608 0.3 1 750 74 ILE HA H 4.957 0.03 1 751 74 ILE CB C 41.020 0.3 1 752 74 ILE HB H 1.571 0.03 1 753 74 ILE CG1 C 27.748 0.3 2 754 74 ILE HG13 H 1.523 0.03 1 755 74 ILE HG12 H 0.855 0.03 1 756 74 ILE CD1 C 14.418 0.3 1 757 74 ILE HD1 H 0.680 0.03 1 758 74 ILE CG2 C 17.066 0.3 1 759 74 ILE HG2 H 0.791 0.03 1 760 74 ILE C C 175.563 0.3 1 761 75 PHE N N 126.127 0.3 1 762 75 PHE H H 9.766 0.03 1 763 75 PHE CA C 57.176 0.3 1 764 75 PHE HA H 5.615 0.03 1 765 75 PHE CB C 42.116 0.3 1 766 75 PHE HB3 H 3.026 0.03 2 767 75 PHE HB2 H 2.822 0.03 2 768 75 PHE C C 175.078 0.3 1 769 76 SER N N 116.357 0.3 1 770 76 SER H H 8.961 0.03 1 771 76 SER CA C 56.933 0.3 1 772 76 SER HA H 5.035 0.03 1 773 76 SER CB C 64.208 0.3 1 774 76 SER HB3 H 3.580 0.03 2 775 76 SER C C 173.712 0.3 1 776 77 ILE N N 129.322 0.3 1 777 77 ILE H H 9.099 0.03 1 778 77 ILE CA C 59.621 0.3 1 779 77 ILE HA H 4.473 0.03 1 780 77 ILE CB C 40.956 0.3 1 781 77 ILE HB H 1.577 0.03 1 782 77 ILE CG1 C 27.748 0.3 2 783 77 ILE HG13 H 1.224 0.03 1 784 77 ILE HG12 H 0.854 0.03 1 785 77 ILE CD1 C 14.461 0.3 1 786 77 ILE HD1 H 0.230 0.03 1 787 77 ILE CG2 C 18.785 0.3 1 788 77 ILE HG2 H 0.789 0.03 1 789 77 ILE C C 175.059 0.3 1 790 78 GLN N N 128.258 0.3 1 791 78 GLN H H 9.956 0.03 1 792 78 GLN CA C 55.451 0.3 1 793 78 GLN HA H 4.377 0.03 1 794 78 GLN CB C 30.165 0.3 1 795 78 GLN HB3 H 1.988 0.03 2 796 78 GLN HB2 H 2.136 0.03 2 797 78 GLN CG C 34.142 0.3 1 798 78 GLN HG3 H 2.490 0.03 2 799 78 GLN HG2 H 2.375 0.03 2 800 78 GLN NE2 N 111.156 0.3 1 801 78 GLN HE21 H 7.453 0.03 2 802 78 GLN HE22 H 6.849 0.03 2 803 78 GLN C C 175.974 0.3 1 804 79 LYS N N 124.914 0.3 1 805 79 LYS H H 7.934 0.03 1 806 79 LYS CA C 57.022 0.3 1 807 79 LYS HA H 4.500 0.03 1 808 79 LYS CB C 34.972 0.3 1 809 79 LYS HB3 H 2.350 0.03 2 810 79 LYS HB2 H 1.200 0.03 2 811 79 LYS CG C 26.343 0.3 1 812 79 LYS HG3 H 0.882 0.03 2 813 79 LYS HG2 H 0.623 0.03 2 814 79 LYS CD C 31.218 0.3 1 815 79 LYS HD3 H 1.325 0.03 2 816 79 LYS HD2 H 1.677 0.03 2 817 79 LYS CE C 40.941 0.3 1 818 79 LYS HE3 H 1.778 0.03 2 819 79 LYS HE2 H 0.312 0.03 2 820 79 LYS HZ H 2.591 0.03 1 821 79 LYS C C 176.579 0.3 1 822 80 GLU N N 122.955 0.3 1 823 80 GLU H H 8.123 0.03 1 824 80 GLU CA C 59.607 0.3 1 825 80 GLU HA H 3.953 0.03 1 826 80 GLU CB C 30.720 0.3 1 827 80 GLU HB3 H 1.610 0.03 2 828 80 GLU HB2 H 1.820 0.03 2 829 80 GLU CG C 36.688 0.3 1 830 80 GLU HG3 H 2.104 0.03 2 831 80 GLU HG2 H 1.919 0.03 2 832 80 GLU C C 175.676 0.3 1 833 81 GLU N N 115.085 0.3 1 834 81 GLU H H 8.048 0.03 1 835 81 GLU CA C 53.997 0.3 1 836 81 GLU HA H 4.567 0.03 1 837 81 GLU CB C 32.840 0.3 1 838 81 GLU HB3 H 1.951 0.03 2 839 81 GLU HB2 H 1.875 0.03 2 840 81 GLU CG C 36.410 0.3 1 841 81 GLU HG3 H 2.174 0.03 2 842 81 GLU HG2 H 2.164 0.03 2 843 81 GLU C C 175.173 0.3 1 844 82 ARG N N 124.790 0.3 1 845 82 ARG H H 8.673 0.03 1 846 82 ARG CA C 56.963 0.3 1 847 82 ARG CB C 29.658 0.3 1 848 82 ARG HB3 H 1.685 0.03 2 849 82 ARG CG C 24.416 0.3 1 850 82 ARG HG3 H 1.411 0.03 2 851 82 ARG CD C 42.500 0.3 1 852 82 ARG HD3 H 2.700 0.03 2 853 82 ARG HD2 H 2.500 0.03 2 854 82 ARG C C 175.744 0.3 1 855 83 SER N N 121.158 0.3 1 856 83 SER H H 8.204 0.03 1 857 83 SER CA C 58.375 0.3 1 858 83 SER HA H 4.613 0.03 1 859 83 SER CB C 64.827 0.3 1 860 83 SER HB3 H 4.012 0.03 2 861 83 SER C C 172.944 0.3 1 862 84 TRP N N 128.627 0.3 1 863 84 TRP H H 9.483 0.03 1 864 84 TRP CA C 58.295 0.3 1 865 84 TRP HA H 3.910 0.03 1 866 84 TRP CB C 29.596 0.3 1 867 84 TRP HB3 H 3.173 0.03 2 868 84 TRP HB2 H 3.050 0.03 2 869 84 TRP HD1 H 6.930 0.03 1 870 84 TRP NE1 N 129.419 0.3 1 871 84 TRP HE1 H 9.965 0.03 4 872 84 TRP HZ2 H 7.288 0.03 4 873 84 TRP C C 176.317 0.3 1 874 85 TRP N N 130.012 0.3 1 875 85 TRP H H 8.884 0.03 1 876 85 TRP CA C 55.406 0.3 1 877 85 TRP HA H 4.693 0.03 1 878 85 TRP CB C 29.548 0.3 1 879 85 TRP HB3 H 3.069 0.03 2 880 85 TRP HB2 H 2.897 0.03 2 881 85 TRP HD1 H 6.999 0.03 1 882 85 TRP NE1 N 129.068 0.3 1 883 85 TRP HE1 H 10.998 0.03 4 884 85 TRP HZ2 H 7.140 0.03 4 885 85 TRP C C 177.593 0.3 1 886 86 THR N N 114.481 0.3 1 887 86 THR H H 7.047 0.03 1 888 86 THR CA C 63.855 0.3 1 889 86 THR HA H 4.128 0.03 1 890 86 THR CB C 68.844 0.3 1 891 86 THR HB H 4.147 0.03 1 892 86 THR CG2 C 21.998 0.3 1 893 86 THR HG2 H 1.283 0.03 1 894 86 THR C C 172.438 0.3 1 895 87 ARG N N 114.459 0.3 1 896 87 ARG H H 6.937 0.03 1 897 87 ARG CA C 54.048 0.3 1 898 87 ARG HA H 4.517 0.03 1 899 87 ARG CB C 30.875 0.3 1 900 87 ARG HB3 H 1.784 0.03 2 901 87 ARG HB2 H 1.941 0.03 2 902 87 ARG CG C 25.453 0.3 1 903 87 ARG HG3 H 1.511 0.03 2 904 87 ARG HG2 H 1.144 0.03 2 905 87 ARG CD C 42.151 0.3 1 906 87 ARG HD3 H 2.728 0.03 2 907 87 ARG HD2 H 2.437 0.03 2 908 87 ARG C C 171.812 0.3 1 909 88 LEU N N 117.800 0.3 1 910 88 LEU H H 6.980 0.03 1 911 88 LEU CA C 57.585 0.3 1 912 88 LEU HA H 3.456 0.03 1 913 88 LEU CB C 41.104 0.3 1 914 88 LEU HB3 H 0.664 0.03 2 915 88 LEU HB2 H -1.112 0.03 2 916 88 LEU CG C 25.749 0.3 1 917 88 LEU HG H 1.064 0.03 1 918 88 LEU CD1 C 25.006 0.3 1 919 88 LEU HD1 H 0.079 0.03 2 920 88 LEU CD2 C 22.018 0.3 1 921 88 LEU HD2 H 0.364 0.03 2 922 88 LEU C C 176.956 0.3 1 923 89 LEU N N 114.214 0.3 1 924 89 LEU H H 7.930 0.03 1 925 89 LEU CA C 53.452 0.3 1 926 89 LEU HA H 4.601 0.03 1 927 89 LEU CB C 42.811 0.3 1 928 89 LEU HB3 H 1.531 0.03 2 929 89 LEU HB2 H 1.476 0.03 2 930 89 LEU CG C 27.216 0.3 1 931 89 LEU HG H 1.521 0.03 1 932 89 LEU CD1 C 25.316 0.3 1 933 89 LEU HD1 H 0.874 0.03 2 934 89 LEU CD2 C 23.700 0.3 1 935 89 LEU HD2 H 0.842 0.03 2 936 89 LEU C C 176.479 0.3 1 937 90 LYS N N 119.800 0.3 1 938 90 LYS H H 7.882 0.03 1 939 90 LYS CA C 59.639 0.3 1 940 90 LYS HA H 3.660 0.03 1 941 90 LYS CB C 32.138 0.3 1 942 90 LYS HB3 H 1.608 0.03 2 943 90 LYS HB2 H 1.400 0.03 2 944 90 LYS CG C 24.145 0.3 1 945 90 LYS HG3 H 1.173 0.03 2 946 90 LYS CD C 28.863 0.3 1 947 90 LYS HD3 H 1.442 0.03 2 948 90 LYS HD2 H 1.184 0.03 2 949 90 LYS CE C 42.179 0.3 1 950 90 LYS HE3 H 2.790 0.03 2 951 90 LYS C C 178.912 0.3 1 952 91 SER N N 112.714 0.3 1 953 91 SER H H 8.333 0.03 1 954 91 SER CA C 57.998 0.3 1 955 91 SER HA H 4.185 0.03 1 956 91 SER CB C 63.818 0.3 1 957 91 SER HB3 H 3.937 0.03 2 958 91 SER HB2 H 3.593 0.03 2 959 91 SER C C 175.133 0.3 1 960 92 GLU N N 124.354 0.3 1 961 92 GLU H H 8.831 0.03 1 962 92 GLU CA C 57.093 0.3 1 963 92 GLU HA H 4.031 0.03 1 964 92 GLU CB C 30.518 0.3 1 965 92 GLU HB3 H 1.920 0.03 2 966 92 GLU HB2 H 2.070 0.03 2 967 92 GLU CG C 36.495 0.3 1 968 92 GLU HG3 H 2.220 0.03 2 969 92 GLU C C 176.824 0.3 1 970 93 GLU N N 120.253 0.3 1 971 93 GLU H H 8.093 0.03 1 972 93 GLU CA C 56.380 0.3 1 973 93 GLU HA H 4.090 0.03 1 974 93 GLU CB C 30.360 0.3 1 975 93 GLU HB3 H 1.806 0.03 2 976 93 GLU HB2 H 1.973 0.03 2 977 93 GLU CG C 36.477 0.3 1 978 93 GLU HG3 H 2.227 0.03 2 979 93 GLU HG2 H 2.215 0.03 2 980 93 GLU C C 175.998 0.3 1 981 94 LYS N N 125.081 0.3 1 982 94 LYS H H 8.520 0.03 1 983 94 LYS CA C 55.251 0.3 1 984 94 LYS HA H 4.915 0.03 1 985 94 LYS CB C 32.380 0.3 1 986 94 LYS HB3 H 1.852 0.03 2 987 94 LYS CE C 42.771 0.3 1 988 95 PRO CA C 62.664 0.3 1 989 95 PRO HA H 4.191 0.03 1 990 95 PRO CB C 32.570 0.3 1 991 95 PRO HB3 H 2.040 0.03 2 992 95 PRO HB2 H 1.880 0.03 2 993 95 PRO CG C 27.477 0.3 1 994 95 PRO HG3 H 1.922 0.03 2 995 95 PRO HG2 H 2.032 0.03 2 996 95 PRO CD C 51.147 0.3 1 997 95 PRO HD3 H 3.863 0.03 2 998 95 PRO HD2 H 3.736 0.03 2 999 95 PRO C C 175.803 0.3 1 1000 96 ALA N N 125.024 0.3 1 1001 96 ALA H H 8.166 0.03 1 1002 96 ALA CA C 50.957 0.3 1 1003 96 ALA HA H 4.355 0.03 1 1004 96 ALA CB C 18.666 0.3 1 1005 96 ALA HB H 1.180 0.03 1 1006 97 PRO CA C 64.950 0.3 1 1007 97 PRO HA H 4.364 0.03 1 1008 97 PRO CB C 32.234 0.3 1 1009 97 PRO HB3 H 2.378 0.03 2 1010 97 PRO HB2 H 2.068 0.03 2 1011 97 PRO CG C 27.803 0.3 1 1012 97 PRO HG3 H 2.106 0.03 2 1013 97 PRO CD C 50.873 0.3 1 1014 97 PRO HD3 H 3.614 0.03 2 1015 97 PRO HD2 H 3.523 0.03 2 1016 97 PRO C C 176.308 0.3 1 1017 98 TYR N N 111.917 0.3 1 1018 98 TYR H H 6.414 0.03 1 1019 98 TYR CA C 56.956 0.3 1 1020 98 TYR HA H 4.616 0.03 1 1021 98 TYR CB C 36.727 0.3 1 1022 98 TYR HB3 H 3.580 0.03 2 1023 98 TYR HB2 H 2.668 0.03 2 1024 98 TYR HD1 H 7.033 0.03 3 1025 98 TYR C C 172.701 0.3 1 1026 99 ILE N N 122.403 0.3 1 1027 99 ILE H H 7.274 0.03 1 1028 99 ILE CA C 60.724 0.3 1 1029 99 ILE HA H 4.673 0.03 1 1030 99 ILE CB C 37.591 0.3 1 1031 99 ILE HB H 1.632 0.03 1 1032 99 ILE CG1 C 27.804 0.3 2 1033 99 ILE HG13 H 0.652 0.03 1 1034 99 ILE HG12 H 0.236 0.03 1 1035 99 ILE CD1 C 14.364 0.3 1 1036 99 ILE HD1 H 0.568 0.03 1 1037 99 ILE CG2 C 17.568 0.3 1 1038 99 ILE HG2 H 0.545 0.03 1 1039 99 ILE C C 175.601 0.3 1 1040 100 LYS N N 127.961 0.3 1 1041 100 LYS H H 9.344 0.03 1 1042 100 LYS CA C 54.103 0.3 1 1043 100 LYS HA H 4.775 0.03 1 1044 100 LYS CB C 37.296 0.3 1 1045 100 LYS HB3 H 1.971 0.03 2 1046 100 LYS HB2 H 1.543 0.03 2 1047 100 LYS CG C 25.155 0.3 1 1048 100 LYS HG3 H 1.354 0.03 2 1049 100 LYS CD C 29.494 0.3 1 1050 100 LYS HD3 H 1.595 0.03 2 1051 100 LYS HD2 H 1.658 0.03 2 1052 100 LYS CE C 42.732 0.3 1 1053 100 LYS C C 174.926 0.3 1 1054 101 VAL N N 121.007 0.3 1 1055 101 VAL H H 8.041 0.03 1 1056 101 VAL CA C 63.353 0.3 1 1057 101 VAL HA H 3.209 0.03 1 1058 101 VAL CB C 32.833 0.3 1 1059 101 VAL HB H 0.730 0.03 1 1060 101 VAL CG2 C 21.481 0.3 1 1061 101 VAL HG2 H 0.115 0.03 2 1062 101 VAL CG1 C 19.474 0.3 1 1063 101 VAL HG1 H -1.192 0.03 2 1064 101 VAL C C 175.396 0.3 1 1065 102 ASP N N 123.874 0.3 1 1066 102 ASP H H 8.765 0.03 1 1067 102 ASP CA C 51.541 0.3 1 1068 102 ASP HA H 4.420 0.03 1 1069 102 ASP CB C 39.543 0.3 1 1070 102 ASP HB3 H 2.715 0.03 2 1071 102 ASP HB2 H 1.926 0.03 2 1072 102 ASP C C 175.971 0.3 1 1073 103 TRP N N 125.988 0.3 1 1074 103 TRP H H 7.827 0.03 1 1075 103 TRP CA C 59.671 0.3 1 1076 103 TRP HA H 4.389 0.03 1 1077 103 TRP CB C 29.197 0.3 1 1078 103 TRP HB3 H 3.034 0.03 2 1079 103 TRP HB2 H 3.410 0.03 2 1080 103 TRP HD1 H 7.235 0.03 1 1081 103 TRP NE1 N 128.262 0.3 1 1082 103 TRP HE1 H 9.824 0.03 4 1083 103 TRP HZ2 H 7.235 0.03 4 1084 103 TRP C C 177.461 0.3 1 1085 104 ASN N N 115.877 0.3 1 1086 104 ASN H H 8.152 0.03 1 1087 104 ASN CA C 55.805 0.3 1 1088 104 ASN HA H 4.620 0.03 1 1089 104 ASN CB C 38.819 0.3 1 1090 104 ASN HB3 H 2.820 0.03 2 1091 104 ASN HB2 H 2.700 0.03 2 1092 104 ASN ND2 N 113.941 0.3 1 1093 104 ASN HD21 H 7.782 0.03 2 1094 104 ASN HD22 H 6.900 0.03 2 1095 104 ASN C C 176.122 0.3 1 1096 105 LYS N N 115.859 0.3 1 1097 105 LYS H H 6.898 0.03 1 1098 105 LYS CA C 55.883 0.3 1 1099 105 LYS HA H 4.420 0.03 1 1100 105 LYS CB C 35.762 0.3 1 1101 105 LYS HB3 H 1.475 0.03 2 1102 105 LYS HB2 H 1.128 0.03 2 1103 105 LYS CG C 25.205 0.3 1 1104 105 LYS HG3 H 0.897 0.03 2 1105 105 LYS HG2 H 1.110 0.03 2 1106 105 LYS CD C 28.284 0.3 1 1107 105 LYS HD3 H 1.196 0.03 2 1108 105 LYS HD2 H 0.771 0.03 2 1109 105 LYS CE C 41.464 0.3 1 1110 105 LYS HE3 H 2.337 0.03 2 1111 105 LYS C C 175.590 0.3 1 1112 106 TRP N N 122.336 0.3 1 1113 106 TRP H H 7.955 0.03 1 1114 106 TRP CA C 59.034 0.3 1 1115 106 TRP HA H 4.138 0.03 1 1116 106 TRP CB C 29.638 0.3 1 1117 106 TRP HB3 H 3.415 0.03 2 1118 106 TRP HB2 H 3.022 0.03 2 1119 106 TRP HD1 H 7.097 0.03 1 1120 106 TRP NE1 N 130.610 0.3 1 1121 106 TRP HE1 H 10.245 0.03 4 1122 106 TRP HZ2 H 7.597 0.03 4 1123 106 TRP C C 175.854 0.3 1 1124 107 CYS N N 124.185 0.3 1 1125 107 CYS H H 7.581 0.03 1 1126 107 CYS CA C 56.212 0.3 1 1127 107 CYS HA H 4.720 0.03 1 1128 107 CYS CB C 31.604 0.3 1 1129 107 CYS HB3 H 3.040 0.03 2 1130 107 CYS HB2 H 2.652 0.03 2 1131 107 CYS C C 171.295 0.3 1 1132 108 ASP N N 119.347 0.3 1 1133 108 ASP H H 8.585 0.03 1 1134 108 ASP CA C 53.944 0.3 1 1135 108 ASP HA H 4.790 0.03 1 1136 108 ASP CB C 42.255 0.3 1 1137 108 ASP HB3 H 2.432 0.03 2 1138 108 ASP HB2 H 2.740 0.03 2 1139 108 ASP C C 177.021 0.3 1 1140 109 GLU N N 122.063 0.3 1 1141 109 GLU H H 7.982 0.03 1 1142 109 GLU CA C 58.527 0.3 1 1143 109 GLU HA H 4.141 0.03 1 1144 109 GLU CB C 29.294 0.3 1 1145 109 GLU HB3 H 1.960 0.03 2 1146 109 GLU HB2 H 1.621 0.03 2 1147 109 GLU CG C 36.495 0.3 1 1148 109 GLU HG3 H 2.216 0.03 2 1149 109 GLU C C 177.447 0.3 1 1150 110 ASP N N 115.122 0.3 1 1151 110 ASP H H 8.048 0.03 1 1152 110 ASP CA C 54.843 0.3 1 1153 110 ASP HA H 4.274 0.03 1 1154 110 ASP CB C 40.198 0.3 1 1155 110 ASP HB3 H 2.557 0.03 2 1156 110 ASP HB2 H 2.547 0.03 2 1157 110 ASP C C 176.334 0.3 1 1158 111 GLU N N 118.522 0.3 1 1159 111 GLU H H 7.528 0.03 1 1160 111 GLU CA C 56.337 0.3 1 1161 111 GLU HA H 4.240 0.03 1 1162 111 GLU CB C 31.192 0.3 1 1163 111 GLU HB3 H 2.118 0.03 2 1164 111 GLU HB2 H 1.952 0.03 2 1165 111 GLU CG C 36.838 0.3 1 1166 111 GLU HG2 H 2.187 0.03 2 1167 111 GLU C C 176.948 0.3 1 1168 112 GLU N N 121.912 0.3 1 1169 112 GLU H H 7.596 0.03 1 1170 112 GLU CA C 58.179 0.3 1 1171 112 GLU HA H 4.142 0.03 1 1172 112 GLU CB C 30.142 0.3 1 1173 112 GLU HB3 H 1.959 0.03 2 1174 112 GLU HB2 H 2.149 0.03 2 1175 112 GLU CG C 36.468 0.3 1 1176 112 GLU C C 176.824 0.3 1 1177 113 VAL N N 120.337 0.3 1 1178 113 VAL H H 8.079 0.03 1 1179 113 VAL CA C 62.904 0.3 1 1180 113 VAL HA H 4.043 0.03 1 1181 113 VAL CB C 32.662 0.3 1 1182 113 VAL HB H 2.050 0.03 1 1183 113 VAL CG2 C 21.013 0.3 1 1184 113 VAL HG2 H 0.872 0.03 2 1185 113 VAL CG1 C 21.013 0.3 1 1186 113 VAL HG1 H 0.864 0.03 2 1187 113 VAL C C 175.946 0.3 1 1188 114 ASN N N 121.158 0.3 1 1189 114 ASN H H 8.233 0.03 1 1190 114 ASN CA C 53.607 0.3 1 1191 114 ASN HA H 4.770 0.03 1 1192 114 ASN CB C 39.360 0.3 1 1193 114 ASN HB3 H 2.860 0.03 2 1194 114 ASN HB2 H 2.720 0.03 2 1195 114 ASN ND2 N 113.109 0.3 1 1196 114 ASN HD21 H 7.595 0.03 2 1197 114 ASN HD22 H 6.905 0.03 2 1198 114 ASN C C 175.317 0.3 1 1199 115 SER N N 116.468 0.3 1 1200 115 SER H H 8.153 0.03 1 1201 115 SER CA C 58.847 0.3 1 1202 115 SER HA H 4.412 0.03 1 1203 115 SER CB C 63.984 0.3 1 1204 115 SER HB3 H 3.883 0.03 2 1205 115 SER HB2 H 3.836 0.03 2 1206 115 SER C C 173.605 0.3 1 1207 116 GLU N N 122.818 0.3 1 1208 116 GLU H H 8.537 0.03 1 1209 116 GLU CA C 57.239 0.3 1 1210 116 GLU HA H 4.315 0.03 1 1211 116 GLU CB C 30.347 0.3 1 1212 116 GLU HB3 H 2.054 0.03 2 1213 116 GLU HB2 H 1.936 0.03 2 1214 116 GLU CG C 36.544 0.3 1 1215 116 GLU HG3 H 2.254 0.03 2 1216 116 GLU C C 176.897 0.3 1 1217 117 THR N N 114.407 0.3 1 1218 117 THR H H 8.091 0.03 1 1219 117 THR CA C 62.111 0.3 1 1220 117 THR HA H 4.280 0.03 1 1221 117 THR CB C 70.031 0.3 1 1222 117 THR HB H 4.170 0.03 1 1223 117 THR CG2 C 21.881 0.3 1 1224 117 THR HG2 H 1.152 0.03 1 1225 117 THR C C 174.363 0.3 1 1226 118 ALA N N 126.672 0.3 1 1227 118 ALA H H 8.248 0.03 1 1228 118 ALA CA C 52.841 0.3 1 1229 118 ALA HA H 4.320 0.03 1 1230 118 ALA CB C 19.530 0.3 1 1231 118 ALA HB H 1.354 0.03 1 1232 118 ALA C C 177.748 0.3 1 1233 119 SER N N 115.313 0.3 1 1234 119 SER H H 8.294 0.03 1 1235 119 SER CA C 58.636 0.3 1 1236 119 SER HA H 4.383 0.03 1 1237 119 SER CB C 63.986 0.3 1 1238 119 SER HB3 H 3.832 0.03 2 1239 119 SER HB2 H 3.796 0.03 2 1240 119 SER C C 174.575 0.3 1 1241 120 ASP N N 122.365 0.3 1 1242 120 ASP H H 8.338 0.03 1 1243 120 ASP CA C 54.703 0.3 1 1244 120 ASP HA H 4.564 0.03 1 1245 120 ASP CB C 41.294 0.3 1 1246 120 ASP HB3 H 2.687 0.03 2 1247 120 ASP HB2 H 2.607 0.03 2 1248 120 ASP C C 175.651 0.3 1 1249 121 ASP N N 121.415 0.3 1 1250 121 ASP H H 8.285 0.03 1 1251 121 ASP CA C 55.079 0.3 1 1252 121 ASP HA H 4.287 0.03 1 1253 121 ASP CB C 41.401 0.3 1 1254 121 ASP HB3 H 2.688 0.03 2 1255 121 ASP HB2 H 2.612 0.03 2 1256 121 ASP C C 176.971 0.3 1 1257 122 GLU N N 121.159 0.3 1 1258 122 GLU H H 8.387 0.03 1 1259 122 GLU CA C 57.588 0.3 1 1260 122 GLU HA H 4.150 0.03 1 1261 122 GLU CB C 30.011 0.3 1 1262 122 GLU HB3 H 2.064 0.03 2 1263 122 GLU HB2 H 1.933 0.03 2 1264 122 GLU CG C 36.556 0.3 1 1265 122 GLU HG3 H 2.222 0.03 2 1266 122 GLU C C 176.347 0.3 1 1267 123 SER N N 116.178 0.3 1 1268 123 SER H H 8.238 0.03 1 1269 123 SER CA C 59.781 0.3 1 1270 123 SER HA H 4.248 0.03 1 1271 123 SER CB C 63.540 0.3 1 1272 123 SER HB3 H 3.837 0.03 2 1273 123 SER C C 174.770 0.3 1 1274 124 ALA N N 124.176 0.3 1 1275 124 ALA H H 7.971 0.03 1 1276 124 ALA CA C 53.118 0.3 1 1277 124 ALA HA H 4.140 0.03 1 1278 124 ALA CB C 19.131 0.3 1 1279 124 ALA HB H 1.143 0.03 1 1280 124 ALA C C 177.541 0.3 1 1281 125 PHE N N 117.631 0.3 1 1282 125 PHE H H 7.878 0.03 1 1283 125 PHE CA C 57.786 0.3 1 1284 125 PHE HA H 4.531 0.03 1 1285 125 PHE CB C 39.586 0.3 1 1286 125 PHE HB3 H 3.083 0.03 2 1287 125 PHE HB2 H 2.964 0.03 2 1288 125 PHE HD1 H 7.125 0.03 3 1289 125 PHE C C 175.730 0.3 1 1290 126 VAL N N 120.168 0.3 1 1291 126 VAL H H 7.822 0.03 1 1292 126 VAL CA C 62.361 0.3 1 1293 126 VAL HA H 4.034 0.03 1 1294 126 VAL CB C 33.223 0.3 1 1295 126 VAL HB H 1.983 0.03 1 1296 126 VAL CG2 C 21.060 0.3 1 1297 126 VAL HG2 H 0.870 0.03 2 1298 126 VAL CG1 C 20.842 0.3 1 1299 126 VAL HG1 H 0.862 0.03 2 1300 126 VAL C C 175.541 0.3 1 1301 127 ASN N N 122.063 0.3 1 1302 127 ASN H H 8.420 0.03 1 1303 127 ASN CA C 53.508 0.3 1 1304 127 ASN HA H 4.658 0.03 1 1305 127 ASN CB C 39.166 0.3 1 1306 127 ASN HB3 H 2.821 0.03 2 1307 127 ASN HB2 H 2.698 0.03 2 1308 127 ASN ND2 N 112.995 0.3 1 1309 127 ASN HD21 H 7.591 0.03 2 1310 127 ASN HD22 H 6.923 0.03 2 1311 127 ASN C C 174.034 0.3 1 1312 128 GLN N N 121.460 0.3 1 1313 128 GLN H H 8.365 0.03 1 1314 128 GLN CA C 56.295 0.3 1 1315 128 GLN HA H 4.289 0.03 1 1316 128 GLN CB C 29.828 0.3 1 1317 128 GLN HB3 H 1.918 0.03 2 1318 128 GLN HB2 H 2.063 0.03 2 1319 128 GLN CG C 33.929 0.3 1 1320 128 GLN HG2 H 2.301 0.03 2 1321 128 GLN NE2 N 112.300 0.3 1 1322 128 GLN HE21 H 6.797 0.03 2 1323 128 GLN HE22 H 7.487 0.03 2 1324 128 GLN C C 175.651 0.3 1 1325 129 ASP N N 121.415 0.3 1 1326 129 ASP H H 8.414 0.03 1 1327 129 ASP CA C 54.845 0.3 1 1328 129 ASP HA H 4.632 0.03 1 1329 129 ASP CB C 41.535 0.3 1 1330 129 ASP HB3 H 2.722 0.03 2 1331 129 ASP HB2 H 2.612 0.03 2 1332 129 ASP C C 177.346 0.3 1 1333 130 SER N N 116.028 0.3 1 1334 130 SER H H 8.225 0.03 1 1335 130 SER CA C 58.789 0.3 1 1336 130 SER HA H 4.409 0.03 1 1337 130 SER CB C 64.077 0.3 1 1338 130 SER HB3 H 3.855 0.03 2 1339 130 SER HB2 H 3.805 0.03 2 1340 130 SER C C 174.593 0.3 1 1341 131 GLU N N 122.516 0.3 1 1342 131 GLU H H 8.451 0.03 1 1343 131 GLU CA C 56.780 0.3 1 1344 131 GLU HA H 4.310 0.03 1 1345 131 GLU CB C 30.562 0.3 1 1346 131 GLU HB3 H 2.060 0.03 2 1347 131 GLU HB2 H 1.931 0.03 2 1348 131 GLU CG C 36.524 0.3 1 1349 131 GLU HG3 H 2.227 0.03 2 1350 131 GLU C C 176.457 0.3 1 1351 132 SER N N 116.631 0.3 1 1352 132 SER H H 8.314 0.03 1 1353 132 SER CA C 58.337 0.3 1 1354 132 SER HA H 4.497 0.03 1 1355 132 SER CB C 64.223 0.3 1 1356 132 SER HB3 H 3.845 0.03 1 1357 132 SER HB2 H 3.845 0.03 1 1358 132 SER C C 174.444 0.3 1 1359 133 SER N N 118.141 0.3 1 1360 133 SER H H 8.437 0.03 1 1361 133 SER CA C 58.337 0.3 1 1362 133 SER HA H 4.504 0.03 1 1363 133 SER CB C 64.223 0.3 1 1364 133 SER HB3 H 3.850 0.03 1 1365 133 SER HB2 H 3.850 0.03 1 1366 133 SER C C 174.338 0.3 1 1367 134 ASP N N 122.709 0.3 1 1368 134 ASP H H 8.407 0.03 1 1369 134 ASP CA C 54.785 0.3 1 1370 134 ASP HA H 4.617 0.03 1 1371 134 ASP CB C 41.495 0.3 1 1372 134 ASP HB3 H 2.594 0.03 2 1373 134 ASP HB2 H 2.677 0.03 2 1374 134 ASP C C 176.042 0.3 1 1375 135 ASP N N 120.554 0.3 1 1376 135 ASP H H 8.235 0.03 1 1377 135 ASP CA C 54.780 0.3 1 1378 135 ASP HA H 4.577 0.03 1 1379 135 ASP CB C 41.456 0.3 1 1380 135 ASP HB3 H 2.680 0.03 2 1381 135 ASP HB2 H 2.600 0.03 2 1382 135 ASP C C 176.159 0.3 1 1383 136 ASP N N 120.554 0.3 1 1384 136 ASP H H 8.209 0.03 1 1385 136 ASP CA C 54.949 0.3 1 1386 136 ASP HA H 4.505 0.03 1 1387 136 ASP CB C 41.347 0.3 1 1388 136 ASP HB3 H 2.690 0.03 2 1389 136 ASP HB2 H 2.600 0.03 2 1390 136 ASP C C 177.146 0.3 1 1391 137 GLY N N 108.884 0.3 1 1392 137 GLY H H 8.394 0.03 1 1393 137 GLY CA C 46.094 0.3 1 1394 137 GLY HA3 H 3.884 0.03 2 1395 137 GLY HA2 H 3.880 0.03 2 1396 137 GLY C C 174.706 0.3 1 1397 138 LEU N N 121.158 0.3 1 1398 138 LEU H H 7.982 0.03 1 1399 138 LEU CA C 55.611 0.3 1 1400 138 LEU HA H 4.245 0.03 1 1401 138 LEU CB C 42.248 0.3 1 1402 138 LEU HB3 H 1.460 0.03 2 1403 138 LEU HB2 H 1.364 0.03 2 1404 138 LEU CG C 27.163 0.3 1 1405 138 LEU HG H 1.524 0.03 1 1406 138 LEU CD1 C 25.038 0.3 1 1407 138 LEU HD1 H 0.815 0.03 2 1408 138 LEU CD2 C 23.804 0.3 1 1409 138 LEU HD2 H 0.850 0.03 2 1410 138 LEU C C 177.353 0.3 1 1411 139 LEU N N 121.309 0.3 1 1412 139 LEU H H 8.007 0.03 1 1413 139 LEU CA C 55.472 0.3 1 1414 139 LEU HA H 4.222 0.03 1 1415 139 LEU CB C 42.849 0.3 1 1416 139 LEU HB3 H 1.499 0.03 2 1417 139 LEU HB2 H 1.368 0.03 2 1418 139 LEU HG H 1.518 0.03 1 1419 139 LEU HD2 H 0.840 0.03 2 1420 139 LEU C C 176.651 0.3 1 1421 140 TYR N N 120.554 0.3 1 1422 140 TYR H H 8.016 0.03 1 1423 140 TYR CA C 57.476 0.3 1 1424 140 TYR HA H 4.567 0.03 1 1425 140 TYR CB C 38.845 0.3 1 1426 140 TYR HB3 H 2.987 0.03 2 1427 140 TYR HB2 H 2.868 0.03 2 1428 140 TYR HD1 H 7.074 0.03 3 1429 140 TYR C C 174.992 0.3 1 1430 141 LEU N N 125.685 0.3 1 1431 141 LEU H H 7.966 0.03 1 1432 141 LEU CA C 53.304 0.3 1 1433 141 LEU HA H 4.518 0.03 1 1434 141 LEU CB C 42.090 0.3 1 1435 141 LEU HB3 H 1.527 0.03 2 1436 141 LEU HB2 H 1.466 0.03 2 1437 141 LEU CG C 26.897 0.3 1 1438 141 LEU HG H 1.518 0.03 1 1439 141 LEU CD1 C 25.536 0.3 1 1440 141 LEU HD1 H 0.872 0.03 2 1441 141 LEU CD2 C 23.737 0.3 1 1442 141 LEU HD2 H 0.842 0.03 2 1443 142 PRO CA C 63.658 0.3 1 1444 142 PRO HA H 4.279 0.03 1 1445 142 PRO CB C 32.254 0.3 1 1446 142 PRO HB3 H 2.234 0.03 2 1447 142 PRO HB2 H 1.822 0.03 2 1448 142 PRO CG C 27.509 0.3 1 1449 142 PRO HG3 H 1.927 0.03 1 1450 142 PRO HG2 H 1.927 0.03 1 1451 142 PRO CD C 50.653 0.3 1 1452 142 PRO HD3 H 4.272 0.03 2 1453 142 PRO HD2 H 3.542 0.03 2 1454 142 PRO C C 176.844 0.3 1 1455 143 ASP N N 119.045 0.3 1 1456 143 ASP H H 8.262 0.03 1 1457 143 ASP CA C 54.902 0.3 1 1458 143 ASP HA H 4.509 0.03 1 1459 143 ASP CB C 41.020 0.3 1 1460 143 ASP HB3 H 2.689 0.03 2 1461 143 ASP HB2 H 2.600 0.03 2 1462 143 ASP C C 176.922 0.3 1 1463 144 LEU N N 122.516 0.3 1 1464 144 LEU H H 8.119 0.03 1 1465 144 LEU CA C 56.316 0.3 1 1466 144 LEU HA H 4.195 0.03 1 1467 144 LEU CB C 42.271 0.3 1 1468 144 LEU HB3 H 1.653 0.03 2 1469 144 LEU HB2 H 1.567 0.03 2 1470 144 LEU CG C 25.196 0.3 1 1471 144 LEU CD1 C 25.190 0.3 1 1472 144 LEU HD1 H 0.884 0.03 2 1473 144 LEU CD2 C 23.579 0.3 1 1474 144 LEU HD2 H 0.820 0.03 2 1475 144 LEU C C 178.108 0.3 1 1476 145 GLU N N 119.951 0.3 1 1477 145 GLU H H 8.210 0.03 1 1478 145 GLU CA C 57.514 0.3 1 1479 145 GLU HA H 4.143 0.03 1 1480 145 GLU CB C 30.083 0.3 1 1481 145 GLU HB3 H 2.045 0.03 2 1482 145 GLU HB2 H 1.940 0.03 2 1483 145 GLU CG C 36.462 0.3 1 1484 145 GLU HG3 H 2.220 0.03 2 1485 145 GLU C C 177.230 0.3 1 1486 146 LYS N N 120.404 0.3 1 1487 146 LYS H H 7.938 0.03 1 1488 146 LYS CA C 57.079 0.3 1 1489 146 LYS HA H 4.174 0.03 1 1490 146 LYS CB C 32.996 0.3 1 1491 146 LYS HB3 H 1.794 0.03 2 1492 146 LYS HB2 H 1.747 0.03 2 1493 146 LYS CG C 25.062 0.3 1 1494 146 LYS HG3 H 1.392 0.03 2 1495 146 LYS CD C 29.299 0.3 1 1496 146 LYS HD3 H 1.760 0.03 2 1497 146 LYS HD2 H 1.635 0.03 2 1498 146 LYS CE C 42.366 0.3 1 1499 146 LYS HE3 H 2.975 0.03 2 1500 146 LYS C C 176.776 0.3 1 1501 147 ALA N N 123.421 0.3 1 1502 147 ALA H H 8.041 0.03 1 1503 147 ALA CA C 52.949 0.3 1 1504 147 ALA HA H 4.230 0.03 1 1505 147 ALA CB C 19.296 0.3 1 1506 147 ALA HB H 1.373 0.03 1 1507 147 ALA C C 177.801 0.3 1 1508 148 ARG N N 119.347 0.3 1 1509 148 ARG H H 8.059 0.03 1 1510 148 ARG CA C 56.455 0.3 1 1511 148 ARG HA H 4.272 0.03 1 1512 148 ARG CB C 31.095 0.3 1 1513 148 ARG HB3 H 1.816 0.03 2 1514 148 ARG HB2 H 1.750 0.03 2 1515 148 ARG CG C 27.339 0.3 1 1516 148 ARG HG2 H 1.603 0.03 2 1517 148 ARG CD C 43.607 0.3 1 1518 148 ARG HD3 H 3.154 0.03 2 1519 148 ARG C C 176.113 0.3 1 1520 149 ASN N N 119.649 0.3 1 1521 149 ASN H H 8.287 0.03 1 1522 149 ASN CA C 53.578 0.3 1 1523 149 ASN HA H 4.679 0.03 1 1524 149 ASN CB C 39.168 0.3 1 1525 149 ASN HB3 H 2.819 0.03 2 1526 149 ASN HB2 H 2.710 0.03 2 1527 149 ASN ND2 N 113.050 0.3 1 1528 149 ASN HD21 H 7.592 0.03 2 1529 149 ASN HD22 H 6.908 0.03 2 1530 149 ASN C C 174.034 0.3 1 1531 150 LYS N N 126.054 0.3 1 1532 150 LYS H H 7.823 0.03 1 1533 150 LYS CA C 57.941 0.3 1 1534 150 LYS HA H 4.113 0.03 1 1535 150 LYS CB C 33.898 0.3 1 1536 150 LYS HB3 H 1.670 0.03 2 1537 150 LYS HB2 H 1.775 0.03 2 1538 150 LYS CG C 29.351 0.3 1 1539 150 LYS HG3 H 1.670 0.03 2 1540 150 LYS HG2 H 1.775 0.03 2 1541 150 LYS CD C 24.749 0.3 1 1542 150 LYS HD3 H 1.342 0.03 2 1543 150 LYS CE C 42.397 0.3 1 stop_ save_