data_6341 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of At3g04780.1, an Arabidopsis ortholog of the C-terminal domain of human thioredoxin-like protein ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Song Jikui . . 2 Tyler Robert C. . 3 Lee Min S. . 4 Markley John L. . stop_ _BMRB_accession_number 6341 _BMRB_flat_file_name bmr6341.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' 837 '13C chemical shifts' 627 '15N chemical shifts' 171 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Solution structure of At3g04780.1, an Arabidopsis ortholog of the C-terminal domain of human thioredoxin-like protein ; _Citation_status "in preparation" _Citation_type journal _PubMed_ID . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Song Jikui . . 2 Tyler Robert C. . 3 Lee Min S. . 4 Markley John L. . stop_ _Journal_abbreviation ? _Journal_volume ? _Journal_issue ? _Page_first ? _Page_last ? _Year ? save_ ################################## # Molecular system description # ################################## save_molecular_system _Saveframe_category molecular_system _Mol_system_name At3g04780.1 _Abbreviation_common At3g04780.1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "At3g04780.1" $At3g04780.1 stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state "all free" save_ ######################## # Monomeric polymers # ######################## save_At3g04780.1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common At3g04780.1 _Name_variant . _Abbreviation_common At3g04780.1 _Mol_thiol_state "all free" ############################## # Polymer residue sequence # ############################## _Residue_count 161 _Mol_residue_sequence ; SSAESASQIPKGQVDLLDFI DWSGVECLNQSSSHSLPNAL KQGYREDEGLNLESDADEQL LIYIPFNQVIKLHSFAIKGP EEEGPKTVKFFSNKEHMCFS NVNDFPPSDTAELTEENLKG KPVVLKYVKFQNVRSLTIFI EANQSGSEVTKVQKIALYGS T ; loop_ _Residue_seq_code _Residue_label 1 SER 2 SER 3 ALA 4 GLU 5 SER 6 ALA 7 SER 8 GLN 9 ILE 10 PRO 11 LYS 12 GLY 13 GLN 14 VAL 15 ASP 16 LEU 17 LEU 18 ASP 19 PHE 20 ILE 21 ASP 22 TRP 23 SER 24 GLY 25 VAL 26 GLU 27 CYS 28 LEU 29 ASN 30 GLN 31 SER 32 SER 33 SER 34 HIS 35 SER 36 LEU 37 PRO 38 ASN 39 ALA 40 LEU 41 LYS 42 GLN 43 GLY 44 TYR 45 ARG 46 GLU 47 ASP 48 GLU 49 GLY 50 LEU 51 ASN 52 LEU 53 GLU 54 SER 55 ASP 56 ALA 57 ASP 58 GLU 59 GLN 60 LEU 61 LEU 62 ILE 63 TYR 64 ILE 65 PRO 66 PHE 67 ASN 68 GLN 69 VAL 70 ILE 71 LYS 72 LEU 73 HIS 74 SER 75 PHE 76 ALA 77 ILE 78 LYS 79 GLY 80 PRO 81 GLU 82 GLU 83 GLU 84 GLY 85 PRO 86 LYS 87 THR 88 VAL 89 LYS 90 PHE 91 PHE 92 SER 93 ASN 94 LYS 95 GLU 96 HIS 97 MET 98 CYS 99 PHE 100 SER 101 ASN 102 VAL 103 ASN 104 ASP 105 PHE 106 PRO 107 PRO 108 SER 109 ASP 110 THR 111 ALA 112 GLU 113 LEU 114 THR 115 GLU 116 GLU 117 ASN 118 LEU 119 LYS 120 GLY 121 LYS 122 PRO 123 VAL 124 VAL 125 LEU 126 LYS 127 TYR 128 VAL 129 LYS 130 PHE 131 GLN 132 ASN 133 VAL 134 ARG 135 SER 136 LEU 137 THR 138 ILE 139 PHE 140 ILE 141 GLU 142 ALA 143 ASN 144 GLN 145 SER 146 GLY 147 SER 148 GLU 149 VAL 150 THR 151 LYS 152 VAL 153 GLN 154 LYS 155 ILE 156 ALA 157 LEU 158 TYR 159 GLY 160 SER 161 THR stop_ _Sequence_homology_query_date 2004-11-22 _Sequence_homology_query_revised_last_date 2004-11-15 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 AAG51403.1 "unknown protein, 3' partial; 91932-93234[Arabidopsis thaliana]" 119.26 135 100 100 8e-73 GenBank AAF04904.1 "unknown protein [Arabidopsis thaliana]" 100.00 161 100 100 3e-87 GenBank AAL25533.1 "AT3g04780/F7O18_27 [Arabidopsisthaliana]" 91.48 176 100 100 3e-87 GenBank AAM10337.1 "AT3g04780/F7O18_27 [Arabidopsisthaliana]" 91.48 176 100 100 3e-87 GenBank AAM65766.1 "unknown [Arabidopsis thaliana]" 91.48 176 100 100 3e-87 REF NP_566238.1 "expressed protein [Arabidopsisthaliana]" 91.48 176 100 100 3e-87 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $At3g04780.1 "Thale cress" 3702 Eukaryota Plantae 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 $At3g04780.1 "recombinant technology" . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $At3g04780.1 1 mM "[U-15N; U-13C]" DTT 10 mM ? KH2PO4 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 ; HNCACB CBCACONH 3D C13-NOESY 3D N15-NOESY HCCH-TOCSY HCCONH HNCO CCONH 1H 15N-HSQC ; save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.2 0.1 pH temperature 298 ? K 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 DSS H 1 "methyl protons" ppm 0 external direct ? ? ? 1.0 DSS N 15 "methyl protons" ppm 0.00 . indirect ? ? ? ? DSS C 13 "methyl protons" ppm 0.00 . indirect ? ? ? ? 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_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "At3g04780.1" 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 C C 174.581 0.10 1 2 2 SER CA C 58.499 0.10 1 3 2 SER CB C 63.922 0.10 1 4 2 SER HA H 4.521 0.05 2 5 2 SER HB2 H 3.942 0.05 2 6 3 ALA C C 178.178 0.10 1 7 3 ALA CA C 53.021 0.10 1 8 3 ALA CB C 19.082 0.10 1 9 3 ALA HA H 4.333 0.05 2 10 3 ALA H H 8.521 0.05 1 11 3 ALA N N 126.042 0.10 1 12 3 ALA HB H 1.420 0.05 1 13 4 GLU C C 177.009 0.10 1 14 4 GLU CA C 56.919 0.10 1 15 4 GLU CB C 30.239 0.10 1 16 4 GLU CG C 36.392 0.10 1 17 4 GLU HA H 4.281 0.05 2 18 4 GLU HB2 H 1.985 0.05 2 19 4 GLU HB3 H 2.078 0.05 2 20 4 GLU HG2 H 2.292 0.05 2 21 4 GLU H H 8.371 0.05 1 22 4 GLU N N 119.743 0.10 1 23 5 SER C C 174.848 0.10 1 24 5 SER CA C 58.746 0.10 1 25 5 SER CB C 63.677 0.10 1 26 5 SER HA H 4.409 0.05 2 27 5 SER HB2 H 3.885 0.05 2 28 5 SER H H 8.271 0.05 1 29 5 SER N N 116.672 0.10 1 30 6 ALA C C 178.031 0.10 1 31 6 ALA CA C 52.883 0.10 1 32 6 ALA CB C 19.127 0.10 1 33 6 ALA HA H 4.341 0.05 2 34 6 ALA H H 8.312 0.05 1 35 6 ALA N N 125.789 0.10 1 36 6 ALA HB H 1.429 0.05 1 37 7 SER C C 174.599 0.10 1 38 7 SER CA C 58.438 0.10 1 39 7 SER CB C 63.646 0.10 1 40 7 SER HA H 4.384 0.05 2 41 7 SER HB3 H 3.877 0.05 2 42 7 SER H H 8.141 0.05 1 43 7 SER N N 114.093 0.10 1 44 8 GLN C C 175.080 0.10 1 45 8 GLN CA C 55.562 0.10 1 46 8 GLN CB C 29.308 0.10 1 47 8 GLN CG C 33.960 0.10 1 48 8 GLN HA H 4.232 0.05 2 49 8 GLN HB2 H 1.899 0.05 2 50 8 GLN HB3 H 2.089 0.05 2 51 8 GLN HE21 H 6.854 0.05 2 52 8 GLN HG3 H 2.305 0.05 2 53 8 GLN H H 8.208 0.05 1 54 8 GLN N N 121.884 0.10 1 55 8 GLN NE2 N 112.359 0.10 1 56 9 ILE CA C 59.380 0.10 1 57 9 ILE CB C 38.552 0.10 1 58 9 ILE CD1 C 13.394 0.10 1 59 9 ILE CG1 C 27.336 0.10 1 60 9 ILE CG2 C 16.210 0.10 1 61 9 ILE HA H 3.547 0.05 2 62 9 ILE HB H 1.514 0.05 2 63 9 ILE HG12 H 1.391 0.05 2 64 9 ILE HG13 H 0.629 0.05 2 65 9 ILE H H 7.808 0.05 1 66 9 ILE N N 123.181 0.10 1 67 9 ILE HD1 H 0.842 0.05 1 68 9 ILE HG2 H 0.520 0.05 1 69 10 PRO C C 175.447 0.10 1 70 10 PRO CA C 63.169 0.10 1 71 10 PRO CB C 32.142 0.10 1 72 10 PRO CD C 51.246 0.10 1 73 10 PRO CG C 27.221 0.10 1 74 10 PRO HA H 4.099 0.05 2 75 10 PRO HB2 H 1.349 0.05 2 76 10 PRO HB3 H 2.195 0.05 2 77 10 PRO HD2 H 3.344 0.05 2 78 10 PRO HD3 H 2.657 0.05 2 79 10 PRO HG2 H 1.714 0.05 2 80 10 PRO HG3 H 2.024 0.05 2 81 11 LYS C C 178.012 0.10 1 82 11 LYS CA C 57.827 0.10 1 83 11 LYS CB C 32.241 0.10 1 84 11 LYS CD C 29.141 0.10 1 85 11 LYS CE C 42.020 0.10 1 86 11 LYS CG C 24.592 0.10 1 87 11 LYS HA H 3.963 0.05 2 88 11 LYS HB2 H 1.701 0.05 2 89 11 LYS HB3 H 1.751 0.05 2 90 11 LYS HD2 H 1.669 0.05 2 91 11 LYS HE2 H 2.983 0.05 2 92 11 LYS HG2 H 1.370 0.05 2 93 11 LYS HG3 H 1.447 0.05 2 94 11 LYS H H 8.165 0.05 1 95 11 LYS N N 122.226 0.10 1 96 12 GLY C C 173.531 0.10 1 97 12 GLY CA C 45.018 0.10 1 98 12 GLY HA2 H 3.618 0.05 2 99 12 GLY HA3 H 4.038 0.05 2 100 12 GLY H H 8.772 0.05 2 101 12 GLY N N 113.235 0.10 1 102 13 GLN C C 175.054 0.10 1 103 13 GLN CA C 52.149 0.10 1 104 13 GLN CB C 29.359 0.10 1 105 13 GLN CG C 32.386 0.10 1 106 13 GLN HA H 4.713 0.05 2 107 13 GLN HB2 H 1.474 0.05 2 108 13 GLN HB3 H 2.175 0.05 2 109 13 GLN HE21 H 5.991 0.05 2 110 13 GLN HE22 H 6.358 0.05 2 111 13 GLN HG2 H 2.190 0.05 2 112 13 GLN HG3 H 1.500 0.05 2 113 13 GLN H H 7.629 0.05 1 114 13 GLN N N 117.677 0.10 1 115 13 GLN NE2 N 109.239 0.10 1 116 14 VAL C C 175.349 0.10 1 117 14 VAL CA C 59.169 0.10 1 118 14 VAL CB C 35.558 0.10 1 119 14 VAL CG1 C 18.266 0.10 1 120 14 VAL CG2 C 21.489 0.10 1 121 14 VAL HA H 4.746 0.05 2 122 14 VAL HB H 2.368 0.05 2 123 14 VAL H H 9.592 0.05 1 124 14 VAL N N 113.946 0.10 1 125 14 VAL HG1 H 0.939 0.05 2 126 14 VAL HG2 H 0.989 0.05 2 127 15 ASP C C 178.332 0.10 1 128 15 ASP CA C 54.562 0.10 1 129 15 ASP CB C 41.730 0.10 1 130 15 ASP HA H 5.070 0.05 2 131 15 ASP HB2 H 3.098 0.05 2 132 15 ASP HB3 H 2.655 0.05 2 133 15 ASP H H 8.638 0.05 1 134 15 ASP N N 121.447 0.10 1 135 16 LEU C C 176.739 0.10 1 136 16 LEU CA C 55.427 0.10 1 137 16 LEU CB C 41.909 0.10 1 138 16 LEU CD2 C 21.854 0.10 1 139 16 LEU CG C 27.302 0.10 1 140 16 LEU HA H 4.535 0.05 2 141 16 LEU HB2 H 1.852 0.05 2 142 16 LEU HB3 H 1.575 0.05 2 143 16 LEU HG H 0.575 0.05 2 144 16 LEU H H 9.065 0.05 1 145 16 LEU N N 128.911 0.10 1 146 16 LEU HD2 H 0.534 0.05 2 147 17 LEU C C 179.184 0.10 1 148 17 LEU CA C 59.127 0.10 1 149 17 LEU CB C 42.914 0.10 1 150 17 LEU CD1 C 25.739 0.10 1 151 17 LEU CD2 C 25.261 0.10 1 152 17 LEU HA H 4.079 0.05 2 153 17 LEU HB2 H 1.787 0.05 2 154 17 LEU HB3 H 1.987 0.05 2 155 17 LEU HG H 1.903 0.05 2 156 17 LEU H H 8.817 0.05 1 157 17 LEU N N 123.094 0.10 1 158 17 LEU HD1 H 1.108 0.05 2 159 17 LEU HD2 H 1.310 0.05 2 160 18 ASP C C 176.749 0.10 1 161 18 ASP CA C 56.431 0.10 1 162 18 ASP CB C 40.390 0.10 1 163 18 ASP HA H 4.529 0.05 2 164 18 ASP HB2 H 2.406 0.05 2 165 18 ASP HB3 H 2.010 0.05 2 166 18 ASP H H 8.468 0.05 1 167 18 ASP N N 115.172 0.10 1 168 19 PHE C C 174.866 0.10 1 169 19 PHE CA C 57.233 0.10 1 170 19 PHE CB C 39.548 0.10 1 171 19 PHE HA H 4.871 0.05 2 172 19 PHE HB2 H 3.501 0.05 2 173 19 PHE HB3 H 3.032 0.05 2 174 19 PHE H H 8.509 0.05 1 175 19 PHE N N 117.352 0.10 1 176 19 PHE HD1 H 7.214 0.05 3 177 19 PHE HE1 H 6.846 0.05 3 178 20 ILE C C 174.808 0.10 1 179 20 ILE CA C 63.815 0.10 1 180 20 ILE CB C 38.950 0.10 1 181 20 ILE CD1 C 13.220 0.10 1 182 20 ILE CG1 C 28.285 0.10 1 183 20 ILE CG2 C 14.538 0.10 1 184 20 ILE HA H 3.353 0.05 2 185 20 ILE HB H 1.371 0.05 2 186 20 ILE HG12 H 1.913 0.05 2 187 20 ILE HG13 H 0.291 0.05 2 188 20 ILE H H 7.387 0.05 1 189 20 ILE N N 122.312 0.10 1 190 20 ILE HD1 H 0.692 0.05 1 191 20 ILE HG2 H -0.647 0.05 1 192 21 ASP C C 176.239 0.10 1 193 21 ASP CA C 51.529 0.10 1 194 21 ASP CB C 39.311 0.10 1 195 21 ASP HA H 4.824 0.05 2 196 21 ASP HB2 H 2.102 0.05 2 197 21 ASP HB3 H 2.542 0.05 2 198 21 ASP H H 8.353 0.05 1 199 21 ASP N N 125.921 0.10 1 200 22 TRP C C 177.677 0.10 1 201 22 TRP CA C 60.310 0.10 1 202 22 TRP CB C 28.946 0.10 1 203 22 TRP CD1 C 127.621 0.10 1 204 22 TRP CE3 C 120.118 0.10 1 205 22 TRP CZ2 C 114.528 0.10 1 206 22 TRP HA H 4.053 0.05 2 207 22 TRP HB2 H 3.531 0.05 2 208 22 TRP HB3 H 3.146 0.05 2 209 22 TRP HD1 H 7.545 0.05 2 210 22 TRP HE1 H 10.529 0.05 2 211 22 TRP HE3 H 7.751 0.05 4 212 22 TRP HH2 H 6.894 0.05 4 213 22 TRP H H 7.947 0.05 1 214 22 TRP HZ2 H 7.495 0.05 2 215 22 TRP N N 124.732 0.10 1 216 22 TRP NE1 N 130.395 0.10 1 217 23 SER C C 175.219 0.10 1 218 23 SER CA C 61.006 0.10 1 219 23 SER CB C 63.229 0.10 1 220 23 SER HA H 4.414 0.05 2 221 23 SER HB2 H 4.064 0.05 2 222 23 SER H H 8.379 0.05 1 223 23 SER N N 114.551 0.10 1 224 24 GLY C C 173.913 0.10 1 225 24 GLY CA C 44.686 0.10 1 226 24 GLY HA2 H 4.730 0.05 2 227 24 GLY HA3 H 3.716 0.05 2 228 24 GLY H H 7.445 0.05 1 229 24 GLY N N 106.746 0.10 1 230 25 VAL C C 176.291 0.10 1 231 25 VAL CA C 62.232 0.10 1 232 25 VAL CB C 32.517 0.10 1 233 25 VAL CG1 C 22.198 0.10 1 234 25 VAL HA H 4.406 0.05 2 235 25 VAL HB H 1.940 0.05 2 236 25 VAL H H 6.619 0.05 1 237 25 VAL N N 117.878 0.10 1 238 25 VAL HG1 H 0.770 0.05 2 239 26 GLU C C 174.373 0.10 1 240 26 GLU CA C 55.338 0.10 1 241 26 GLU CB C 34.931 0.10 1 242 26 GLU CG C 36.352 0.10 1 243 26 GLU HA H 4.797 0.05 2 244 26 GLU HB2 H 2.103 0.05 2 245 26 GLU HB3 H 2.007 0.05 2 246 26 GLU HG3 H 2.257 0.05 2 247 26 GLU H H 8.898 0.05 1 248 26 GLU N N 124.169 0.10 1 249 27 CYS C C 173.601 0.10 1 250 27 CYS CA C 57.305 0.10 1 251 27 CYS CB C 29.244 0.10 1 252 27 CYS HA H 5.440 0.05 2 253 27 CYS HB2 H 2.583 0.05 2 254 27 CYS HB3 H 3.031 0.05 2 255 27 CYS H H 9.090 0.05 1 256 27 CYS N N 123.372 0.10 1 257 28 LEU C C 177.469 0.10 1 258 28 LEU CA C 55.077 0.10 1 259 28 LEU CB C 43.005 0.10 1 260 28 LEU CD1 C 22.777 0.10 1 261 28 LEU CG C 25.209 0.10 1 262 28 LEU HA H 4.694 0.05 2 263 28 LEU HB2 H 1.757 0.05 2 264 28 LEU HG H 0.827 0.05 2 265 28 LEU H H 9.395 0.05 1 266 28 LEU N N 130.569 0.10 1 267 28 LEU HD1 H 0.881 0.05 2 268 29 ASN C C 175.173 0.10 1 269 29 ASN CA C 54.041 0.10 1 270 29 ASN CB C 38.777 0.10 1 271 29 ASN HA H 4.696 0.05 2 272 29 ASN HB2 H 2.659 0.05 2 273 29 ASN HB3 H 4.232 0.05 2 274 29 ASN HD21 H 6.052 0.05 2 275 29 ASN H H 9.136 0.05 1 276 29 ASN N N 116.944 0.10 1 277 29 ASN ND2 N 116.489 0.10 1 278 30 GLN C C 176.552 0.10 1 279 30 GLN CA C 54.245 0.10 1 280 30 GLN CB C 29.682 0.10 1 281 30 GLN CG C 31.418 0.10 1 282 30 GLN HA H 4.709 0.05 2 283 30 GLN HB2 H 2.167 0.05 2 284 30 GLN HB3 H 2.328 0.05 2 285 30 GLN HE21 H 7.003 0.05 2 286 30 GLN HE22 H 7.550 0.05 2 287 30 GLN HG3 H 2.739 0.05 2 288 30 GLN H H 7.511 0.05 1 289 30 GLN N N 112.818 0.10 1 290 30 GLN NE2 N 110.654 0.10 1 291 31 SER CA C 57.263 0.10 1 292 31 SER CB C 63.355 0.10 1 293 31 SER H H 8.627 0.05 1 294 31 SER N N 117.910 0.10 1 295 32 SER C C 175.555 0.10 1 296 32 SER CA C 61.033 0.10 1 297 32 SER CB C 62.975 0.10 1 298 32 SER HA H 4.214 0.05 2 299 32 SER HB2 H 3.977 0.05 2 300 32 SER H H 9.319 0.05 1 301 32 SER N N 116.507 0.10 1 302 33 SER C C 173.482 0.10 1 303 33 SER CA C 58.836 0.10 1 304 33 SER CB C 63.831 0.10 1 305 33 SER HA H 4.415 0.05 2 306 33 SER HB3 H 3.544 0.05 2 307 33 SER H H 7.951 0.05 1 308 33 SER N N 114.696 0.10 1 309 34 HIS C C 173.655 0.10 1 310 34 HIS CA C 55.017 0.10 1 311 34 HIS CB C 30.238 0.10 1 312 34 HIS CD2 C 121.000 0.10 1 313 34 HIS CE1 C 137.965 0.10 1 314 34 HIS HA H 4.692 0.05 2 315 34 HIS HB2 H 3.559 0.05 2 316 34 HIS HB3 H 2.844 0.05 2 317 34 HIS HD2 H 7.052 0.05 2 318 34 HIS HE1 H 7.990 0.05 2 319 34 HIS H H 7.390 0.05 1 320 34 HIS N N 123.718 0.10 1 321 35 SER C C 174.682 0.10 1 322 35 SER CA C 58.682 0.10 1 323 35 SER CB C 65.467 0.10 1 324 35 SER HA H 4.672 0.05 2 325 35 SER HB3 H 4.012 0.05 2 326 35 SER H H 7.740 0.05 1 327 35 SER N N 114.990 0.10 1 328 36 LEU CA C 55.941 0.10 1 329 36 LEU CB C 39.428 0.10 1 330 36 LEU HA H 4.295 0.05 2 331 36 LEU HB2 H 1.698 0.05 2 332 36 LEU HB3 H 2.179 0.05 2 333 36 LEU H H 8.738 0.05 1 334 36 LEU N N 118.493 0.10 1 335 36 LEU HD1 H 0.877 0.05 2 336 37 PRO C C 176.041 0.10 1 337 37 PRO CA C 66.984 0.10 1 338 37 PRO CB C 30.901 0.10 1 339 37 PRO CD C 49.841 0.10 1 340 37 PRO CG C 28.659 0.10 1 341 37 PRO HA H 4.216 0.05 2 342 37 PRO HB2 H 2.019 0.05 2 343 37 PRO HB3 H 1.751 0.05 2 344 37 PRO HD2 H 3.731 0.05 2 345 37 PRO HD3 H 3.987 0.05 2 346 37 PRO HG2 H 1.958 0.05 2 347 37 PRO HG3 H 2.146 0.05 2 348 38 ASN C C 174.761 0.10 1 349 38 ASN CA C 55.130 0.10 1 350 38 ASN CB C 38.523 0.10 1 351 38 ASN HA H 4.273 0.05 2 352 38 ASN HB2 H 2.090 0.05 2 353 38 ASN HB3 H 2.991 0.05 2 354 38 ASN HD21 H 7.452 0.05 2 355 38 ASN HD22 H 7.653 0.05 2 356 38 ASN H H 7.558 0.05 1 357 38 ASN N N 111.785 0.10 1 358 38 ASN ND2 N 109.494 0.10 1 359 39 ALA C C 176.611 0.10 1 360 39 ALA CA C 50.890 0.10 1 361 39 ALA CB C 21.472 0.10 1 362 39 ALA HA H 5.048 0.05 2 363 39 ALA H H 7.679 0.05 1 364 39 ALA N N 114.380 0.10 1 365 39 ALA HB H 1.246 0.05 1 366 40 LEU C C 175.982 0.10 1 367 40 LEU CA C 55.124 0.10 1 368 40 LEU CB C 48.780 0.10 1 369 40 LEU CG C 26.332 0.10 1 370 40 LEU HA H 4.946 0.05 2 371 40 LEU HB2 H 1.260 0.05 2 372 40 LEU HB3 H 1.932 0.05 2 373 40 LEU HG H 0.701 0.05 2 374 40 LEU H H 7.538 0.05 1 375 40 LEU N N 117.869 0.10 1 376 40 LEU HD2 H 0.878 0.05 2 377 41 LYS C C 175.599 0.10 1 378 41 LYS CA C 57.183 0.10 1 379 41 LYS CB C 35.554 0.10 1 380 41 LYS CD C 29.941 0.10 1 381 41 LYS CE C 41.547 0.10 1 382 41 LYS HA H 4.423 0.05 2 383 41 LYS HB2 H 1.550 0.05 2 384 41 LYS HB3 H 1.932 0.05 2 385 41 LYS HD3 H 1.176 0.05 2 386 41 LYS HE2 H 2.184 0.05 2 387 41 LYS HG2 H 1.429 0.05 2 388 41 LYS HG3 H 0.980 0.05 2 389 41 LYS H H 8.485 0.05 1 390 41 LYS N N 117.826 0.10 1 391 42 GLN CA C 58.073 0.10 1 392 42 GLN CB C 28.523 0.10 1 393 42 GLN CG C 33.410 0.10 1 394 42 GLN HA H 4.041 0.05 2 395 42 GLN HB2 H 2.069 0.05 2 396 42 GLN HB3 H 2.186 0.05 2 397 42 GLN HE21 H 6.958 0.05 2 398 42 GLN HE22 H 7.574 0.05 2 399 42 GLN HG2 H 2.452 0.05 2 400 42 GLN H H 8.909 0.05 1 401 42 GLN N N 125.295 0.10 1 402 42 GLN NE2 N 111.950 0.10 1 403 43 GLY C C 175.626 0.10 1 404 43 GLY CA C 46.191 0.10 1 405 43 GLY HA2 H 3.465 0.05 2 406 43 GLY HA3 H 4.240 0.05 2 407 43 GLY H H 9.379 0.05 1 408 43 GLY N N 117.096 0.10 1 409 44 TYR C C 179.441 0.10 1 410 44 TYR CA C 58.729 0.10 1 411 44 TYR CB C 39.284 0.10 1 412 44 TYR CD1 C 132.599 0.10 1 413 44 TYR CE1 C 118.280 0.10 1 414 44 TYR HA H 4.481 0.05 2 415 44 TYR HB2 H 3.215 0.05 2 416 44 TYR HB3 H 2.998 0.05 2 417 44 TYR H H 7.652 0.05 1 418 44 TYR N N 121.998 0.10 1 419 44 TYR HD1 H 7.037 0.05 3 420 44 TYR HE1 H 6.831 0.05 3 421 45 ARG C C 176.460 0.10 1 422 45 ARG CA C 58.795 0.10 1 423 45 ARG CB C 35.915 0.10 1 424 45 ARG HA H 4.281 0.05 2 425 45 ARG HB2 H 1.651 0.05 2 426 45 ARG HB3 H 1.879 0.05 2 427 45 ARG H H 8.844 0.05 1 428 45 ARG N N 115.602 0.10 1 429 46 GLU C C 176.147 0.10 1 430 46 GLU CA C 56.660 0.10 1 431 46 GLU CB C 28.947 0.10 1 432 46 GLU CG C 36.457 0.10 1 433 46 GLU HA H 4.303 0.05 2 434 46 GLU HB2 H 1.969 0.05 2 435 46 GLU HG3 H 2.388 0.05 2 436 46 GLU H H 7.898 0.05 1 437 46 GLU N N 116.544 0.10 1 438 47 ASP C C 177.932 0.10 1 439 47 ASP CA C 53.892 0.10 1 440 47 ASP CB C 41.466 0.10 1 441 47 ASP HA H 4.599 0.05 2 442 47 ASP HB2 H 3.318 0.05 2 443 47 ASP HB3 H 2.523 0.05 2 444 47 ASP H H 7.568 0.05 1 445 47 ASP N N 120.400 0.10 1 446 48 GLU C C 176.720 0.10 1 447 48 GLU CA C 58.262 0.10 1 448 48 GLU CB C 29.291 0.10 1 449 48 GLU CG C 36.552 0.10 1 450 48 GLU HA H 3.987 0.05 2 451 48 GLU HB2 H 1.973 0.05 2 452 48 GLU HB3 H 2.128 0.05 2 453 48 GLU HG3 H 2.311 0.05 2 454 48 GLU H H 9.107 0.05 1 455 48 GLU N N 128.149 0.10 1 456 49 GLY C C 173.493 0.10 1 457 49 GLY CA C 44.985 0.10 1 458 49 GLY HA2 H 3.693 0.05 2 459 49 GLY HA3 H 4.181 0.05 2 460 49 GLY H H 9.110 0.05 1 461 49 GLY N N 106.857 0.10 1 462 50 LEU C C 174.954 0.10 1 463 50 LEU CA C 53.145 0.10 1 464 50 LEU CB C 43.962 0.10 1 465 50 LEU CD1 C 22.942 0.10 1 466 50 LEU CD2 C 26.284 0.10 1 467 50 LEU CG C 26.262 0.10 1 468 50 LEU HA H 4.766 0.05 2 469 50 LEU HB2 H 1.140 0.05 2 470 50 LEU HB3 H 1.724 0.05 2 471 50 LEU HG H 1.488 0.05 2 472 50 LEU H H 7.228 0.05 1 473 50 LEU N N 120.944 0.10 1 474 50 LEU HD1 H 0.869 0.05 2 475 50 LEU HD2 H 0.992 0.05 2 476 51 ASN C C 175.923 0.10 1 477 51 ASN CA C 51.602 0.10 1 478 51 ASN CB C 41.733 0.10 1 479 51 ASN HA H 5.258 0.05 2 480 51 ASN HB2 H 2.396 0.05 2 481 51 ASN HB3 H 2.529 0.05 2 482 51 ASN HD21 H 6.696 0.05 2 483 51 ASN HD22 H 7.393 0.05 2 484 51 ASN H H 8.907 0.05 1 485 51 ASN N N 118.285 0.10 1 486 51 ASN ND2 N 110.616 0.10 1 487 52 LEU C C 174.928 0.10 1 488 52 LEU CA C 53.929 0.10 1 489 52 LEU CB C 44.291 0.10 1 490 52 LEU CD1 C 23.248 0.10 1 491 52 LEU CG C 26.873 0.10 1 492 52 LEU HA H 4.573 0.05 2 493 52 LEU HB2 H 1.388 0.05 2 494 52 LEU HB3 H 1.708 0.05 2 495 52 LEU HG H 0.835 0.05 2 496 52 LEU H H 9.021 0.05 1 497 52 LEU N N 123.482 0.10 1 498 52 LEU HD1 H 1.128 0.05 2 499 52 LEU HD2 H 0.984 0.05 2 500 53 GLU C C 175.579 0.10 1 501 53 GLU CA C 53.750 0.10 1 502 53 GLU CB C 33.558 0.10 1 503 53 GLU CG C 36.757 0.10 1 504 53 GLU HA H 5.729 0.05 2 505 53 GLU HB2 H 1.746 0.05 2 506 53 GLU HB3 H 2.100 0.05 2 507 53 GLU HG2 H 2.060 0.05 2 508 53 GLU H H 8.779 0.05 1 509 53 GLU N N 125.167 0.10 1 510 54 SER C C 172.708 0.10 1 511 54 SER CA C 58.296 0.10 1 512 54 SER CB C 64.617 0.10 1 513 54 SER HA H 5.085 0.05 2 514 54 SER HB2 H 3.508 0.05 2 515 54 SER HB3 H 4.573 0.05 2 516 54 SER HG H 6.173 0.05 2 517 54 SER H H 8.351 0.05 1 518 54 SER N N 117.008 0.10 1 519 55 ASP C C 176.539 0.10 1 520 55 ASP CA C 55.294 0.10 1 521 55 ASP CB C 42.359 0.10 1 522 55 ASP HA H 4.806 0.05 2 523 55 ASP HB2 H 2.124 0.05 2 524 55 ASP HB3 H 2.698 0.05 2 525 55 ASP H H 7.631 0.05 1 526 55 ASP N N 116.279 0.10 1 527 56 ALA C C 177.460 0.10 1 528 56 ALA CA C 53.983 0.10 1 529 56 ALA CB C 20.005 0.10 1 530 56 ALA HA H 4.218 0.05 2 531 56 ALA H H 8.929 0.05 1 532 56 ALA N N 120.386 0.10 1 533 56 ALA HB H 1.438 0.05 1 534 57 ASP C C 176.241 0.10 1 535 57 ASP CA C 53.660 0.10 1 536 57 ASP CB C 39.077 0.10 1 537 57 ASP HA H 4.496 0.05 2 538 57 ASP HB2 H 2.994 0.05 2 539 57 ASP HB3 H 3.158 0.05 2 540 57 ASP H H 7.922 0.05 1 541 57 ASP N N 113.285 0.10 1 542 58 GLU C C 176.668 0.10 1 543 58 GLU CA C 57.774 0.10 1 544 58 GLU CB C 29.878 0.10 1 545 58 GLU CG C 34.951 0.10 1 546 58 GLU HA H 4.037 0.05 2 547 58 GLU HB2 H 1.802 0.05 2 548 58 GLU HB3 H 2.083 0.05 2 549 58 GLU HG2 H 1.981 0.05 2 550 58 GLU HG3 H 2.467 0.05 2 551 58 GLU H H 9.932 0.05 1 552 58 GLU N N 117.011 0.10 1 553 59 GLN C C 176.288 0.10 1 554 59 GLN CA C 56.613 0.10 1 555 59 GLN CB C 30.844 0.10 1 556 59 GLN HA H 4.748 0.05 2 557 59 GLN HB3 H 2.337 0.05 2 558 59 GLN HE21 H 6.979 0.05 2 559 59 GLN HE22 H 7.573 0.05 2 560 59 GLN H H 8.288 0.05 1 561 59 GLN N N 119.733 0.10 1 562 59 GLN NE2 N 110.730 0.10 1 563 60 LEU C C 175.412 0.10 1 564 60 LEU CA C 54.448 0.10 1 565 60 LEU CB C 49.621 0.10 1 566 60 LEU CD1 C 25.059 0.10 1 567 60 LEU CD2 C 26.218 0.10 1 568 60 LEU HA H 5.174 0.05 2 569 60 LEU HB2 H 1.321 0.05 2 570 60 LEU HB3 H 1.680 0.05 2 571 60 LEU H H 8.279 0.05 1 572 60 LEU N N 117.007 0.10 1 573 60 LEU HD1 H 0.828 0.05 2 574 60 LEU HD2 H 0.682 0.05 2 575 61 LEU C C 174.281 0.10 1 576 61 LEU CA C 54.507 0.10 1 577 61 LEU CB C 45.248 0.10 1 578 61 LEU CD1 C 25.082 0.10 1 579 61 LEU CD2 C 24.899 0.10 1 580 61 LEU CG C 27.617 0.10 1 581 61 LEU HA H 5.360 0.05 2 582 61 LEU HB2 H 1.387 0.05 2 583 61 LEU HB3 H 1.015 0.05 2 584 61 LEU HG H 1.159 0.05 2 585 61 LEU H H 7.523 0.05 1 586 61 LEU N N 123.015 0.10 1 587 61 LEU HD1 H 0.241 0.05 2 588 61 LEU HD2 H 0.084 0.05 2 589 62 ILE C C 172.926 0.10 1 590 62 ILE CA C 61.004 0.10 1 591 62 ILE CB C 41.286 0.10 1 592 62 ILE CD1 C 14.388 0.10 1 593 62 ILE CG1 C 28.689 0.10 1 594 62 ILE CG2 C 18.049 0.10 1 595 62 ILE HA H 4.657 0.05 2 596 62 ILE HB H 1.879 0.05 2 597 62 ILE HG12 H 1.183 0.05 2 598 62 ILE H H 9.528 0.05 1 599 62 ILE N N 127.900 0.10 1 600 62 ILE HD1 H 0.693 0.05 1 601 62 ILE HG2 H 0.869 0.05 1 602 63 TYR C C 173.281 0.10 1 603 63 TYR CA C 57.198 0.10 1 604 63 TYR CB C 41.265 0.10 1 605 63 TYR CD1 C 134.007 0.10 1 606 63 TYR CE1 C 117.844 0.10 1 607 63 TYR HA H 5.201 0.05 2 608 63 TYR HB2 H 2.794 0.05 2 609 63 TYR HB3 H 2.958 0.05 2 610 63 TYR H H 9.370 0.05 1 611 63 TYR N N 129.887 0.10 1 612 63 TYR HD1 H 7.276 0.05 3 613 63 TYR HE1 H 6.686 0.05 3 614 64 ILE CA C 57.327 0.10 1 615 64 ILE CB C 41.093 0.10 1 616 64 ILE CD1 C 14.530 0.10 1 617 64 ILE CG1 C 27.054 0.10 1 618 64 ILE CG2 C 18.615 0.10 1 619 64 ILE HA H 3.983 0.05 2 620 64 ILE HB H 1.427 0.05 2 621 64 ILE HG12 H 0.534 0.05 2 622 64 ILE HG13 H 1.364 0.05 2 623 64 ILE H H 8.575 0.05 1 624 64 ILE N N 125.433 0.10 1 625 64 ILE HD1 H 0.608 0.05 1 626 64 ILE HG2 H -0.152 0.05 1 627 65 PRO CA C 60.653 0.10 1 628 65 PRO CB C 30.995 0.10 1 629 65 PRO CD C 49.806 0.10 1 630 65 PRO CG C 25.375 0.10 1 631 65 PRO HA H 4.464 0.05 2 632 65 PRO HB2 H 2.020 0.05 2 633 65 PRO HD2 H 3.338 0.05 2 634 65 PRO HD3 H 2.945 0.05 2 635 65 PRO HG2 H 2.402 0.05 2 636 65 PRO HG3 H 1.885 0.05 2 637 66 PHE C C 177.407 0.10 1 638 66 PHE CA C 56.691 0.10 1 639 66 PHE CB C 42.597 0.10 1 640 66 PHE HA H 5.255 0.05 2 641 66 PHE HB2 H 2.983 0.05 2 642 66 PHE HB3 H 3.344 0.05 2 643 66 PHE H H 8.238 0.05 1 644 66 PHE N N 117.061 0.10 1 645 66 PHE HD1 H 6.832 0.05 3 646 67 ASN C C 174.634 0.10 1 647 67 ASN CA C 53.626 0.10 1 648 67 ASN CB C 38.848 0.10 1 649 67 ASN HA H 4.699 0.05 2 650 67 ASN HB2 H 2.736 0.05 2 651 67 ASN HB3 H 3.145 0.05 2 652 67 ASN HD21 H 6.585 0.05 2 653 67 ASN HD22 H 7.523 0.05 2 654 67 ASN H H 9.591 0.05 1 655 67 ASN N N 119.019 0.10 1 656 67 ASN ND2 N 109.546 0.10 1 657 68 GLN C C 172.450 0.10 1 658 68 GLN CA C 53.634 0.10 1 659 68 GLN CB C 32.502 0.10 1 660 68 GLN HA H 4.527 0.05 2 661 68 GLN HB2 H 1.983 0.05 2 662 68 GLN HB3 H 2.298 0.05 2 663 68 GLN HE21 H 6.955 0.05 2 664 68 GLN HE22 H 7.640 0.05 2 665 68 GLN H H 7.875 0.05 1 666 68 GLN N N 114.356 0.10 1 667 68 GLN NE2 N 111.989 0.10 1 668 69 VAL C C 176.726 0.10 1 669 69 VAL CA C 63.501 0.10 1 670 69 VAL CB C 31.446 0.10 1 671 69 VAL CG1 C 21.584 0.10 1 672 69 VAL CG2 C 22.148 0.10 1 673 69 VAL HA H 4.094 0.05 2 674 69 VAL HB H 1.843 0.05 2 675 69 VAL H H 8.112 0.05 1 676 69 VAL N N 117.961 0.10 1 677 69 VAL HG1 H 0.810 0.05 2 678 69 VAL HG2 H 0.938 0.05 2 679 70 ILE C C 173.685 0.10 1 680 70 ILE CA C 57.979 0.10 1 681 70 ILE CB C 42.171 0.10 1 682 70 ILE CD1 C 15.313 0.10 1 683 70 ILE CG1 C 25.903 0.10 1 684 70 ILE CG2 C 21.093 0.10 1 685 70 ILE HA H 4.528 0.05 2 686 70 ILE HB H 1.552 0.05 2 687 70 ILE HG12 H -0.162 0.05 2 688 70 ILE HG13 H 0.726 0.05 2 689 70 ILE H H 8.859 0.05 1 690 70 ILE N N 123.874 0.10 1 691 70 ILE HD1 H -0.012 0.05 1 692 70 ILE HG2 H 0.256 0.05 1 693 71 LYS C C 175.899 0.10 1 694 71 LYS CA C 54.488 0.10 1 695 71 LYS CB C 33.167 0.10 1 696 71 LYS CD C 29.803 0.10 1 697 71 LYS CE C 41.909 0.10 1 698 71 LYS CG C 24.779 0.10 1 699 71 LYS HA H 5.045 0.05 2 700 71 LYS HB2 H 1.638 0.05 2 701 71 LYS HB3 H 1.748 0.05 2 702 71 LYS HD2 H 1.509 0.05 2 703 71 LYS HD3 H 1.577 0.05 2 704 71 LYS HE2 H 2.985 0.05 2 705 71 LYS HG2 H 1.252 0.05 2 706 71 LYS HG3 H 1.335 0.05 2 707 71 LYS H H 8.404 0.05 1 708 71 LYS N N 118.597 0.10 1 709 72 LEU C C 173.499 0.10 1 710 72 LEU CA C 54.575 0.10 1 711 72 LEU CB C 44.769 0.10 1 712 72 LEU CD1 C 25.244 0.10 1 713 72 LEU CD2 C 27.651 0.10 1 714 72 LEU CG C 27.757 0.10 1 715 72 LEU HA H 4.476 0.05 2 716 72 LEU HB2 H 0.930 0.05 2 717 72 LEU HB3 H 1.623 0.05 2 718 72 LEU HG H 1.159 0.05 2 719 72 LEU H H 8.199 0.05 1 720 72 LEU N N 124.971 0.10 1 721 72 LEU HD1 H 0.807 0.05 2 722 72 LEU HD2 H 0.271 0.05 2 723 73 HIS C C 175.002 0.10 1 724 73 HIS CA C 58.520 0.10 1 725 73 HIS CB C 36.152 0.10 1 726 73 HIS CE1 C 137.466 0.10 1 727 73 HIS HA H 4.645 0.05 2 728 73 HIS HB2 H 2.818 0.05 2 729 73 HIS HB3 H 2.910 0.05 2 730 73 HIS HD2 H 6.349 0.05 2 731 73 HIS HE1 H 7.386 0.05 2 732 73 HIS H H 9.213 0.05 1 733 73 HIS N N 123.769 0.10 1 734 74 SER C C 172.462 0.10 1 735 74 SER CA C 57.168 0.10 1 736 74 SER CB C 65.142 0.10 1 737 74 SER HA H 4.975 0.05 2 738 74 SER HB2 H 4.049 0.05 2 739 74 SER HB3 H 3.560 0.05 2 740 74 SER H H 8.465 0.05 1 741 74 SER N N 109.810 0.10 1 742 75 PHE C C 171.474 0.10 1 743 75 PHE CA C 55.630 0.10 1 744 75 PHE CB C 42.803 0.10 1 745 75 PHE CE1 C 132.398 0.10 1 746 75 PHE HA H 5.312 0.05 2 747 75 PHE HB2 H 2.786 0.05 2 748 75 PHE HB3 H 3.165 0.05 2 749 75 PHE H H 8.538 0.05 1 750 75 PHE N N 113.647 0.10 1 751 75 PHE HD1 H 6.809 0.05 3 752 75 PHE HE1 H 6.958 0.05 3 753 76 ALA C C 176.028 0.10 1 754 76 ALA CA C 51.082 0.10 1 755 76 ALA CB C 22.739 0.10 1 756 76 ALA HA H 4.760 0.05 2 757 76 ALA H H 9.324 0.05 1 758 76 ALA N N 121.566 0.10 1 759 76 ALA HB H 1.263 0.05 1 760 77 ILE C C 173.226 0.10 1 761 77 ILE CA C 60.025 0.10 1 762 77 ILE CB C 42.117 0.10 1 763 77 ILE CD1 C 13.672 0.10 1 764 77 ILE CG1 C 29.001 0.10 1 765 77 ILE CG2 C 17.595 0.10 1 766 77 ILE HA H 5.029 0.05 2 767 77 ILE HB H 1.660 0.05 2 768 77 ILE HG12 H 1.203 0.05 2 769 77 ILE HG13 H 2.012 0.05 2 770 77 ILE H H 8.984 0.05 1 771 77 ILE N N 123.163 0.10 1 772 77 ILE HD1 H 0.789 0.05 1 773 77 ILE HG2 H 0.815 0.05 1 774 78 LYS C C 177.816 0.10 1 775 78 LYS CA C 53.760 0.10 1 776 78 LYS CB C 36.196 0.10 1 777 78 LYS CD C 29.357 0.10 1 778 78 LYS CE C 41.757 0.10 1 779 78 LYS CG C 25.186 0.10 1 780 78 LYS HA H 5.218 0.05 2 781 78 LYS HB2 H 1.503 0.05 2 782 78 LYS HB3 H 1.998 0.05 2 783 78 LYS HD2 H 1.496 0.05 2 784 78 LYS HD3 H 1.767 0.05 2 785 78 LYS HE2 H 2.807 0.05 2 786 78 LYS HE3 H 3.020 0.05 2 787 78 LYS HG2 H 1.127 0.05 2 788 78 LYS HG3 H 1.537 0.05 2 789 78 LYS H H 8.499 0.05 1 790 78 LYS N N 119.889 0.10 1 791 79 GLY CA C 45.261 0.10 1 792 79 GLY HA2 H 4.184 0.05 2 793 79 GLY HA3 H 4.033 0.05 2 794 79 GLY H H 8.459 0.05 1 795 79 GLY N N 110.190 0.10 1 796 80 PRO C C 176.155 0.10 1 797 80 PRO CA C 62.466 0.10 1 798 80 PRO CB C 32.484 0.10 1 799 80 PRO CD C 48.504 0.10 1 800 80 PRO CG C 28.603 0.10 1 801 80 PRO HA H 4.624 0.05 2 802 80 PRO HB2 H 2.397 0.05 2 803 80 PRO HD2 H 3.530 0.05 2 804 80 PRO HD3 H 3.308 0.05 2 805 80 PRO HG2 H 2.003 0.05 2 806 80 PRO HG3 H 1.925 0.05 2 807 81 GLU C C 176.718 0.10 1 808 81 GLU CA C 60.385 0.10 1 809 81 GLU CB C 29.968 0.10 1 810 81 GLU CG C 37.017 0.10 1 811 81 GLU HA H 3.867 0.05 2 812 81 GLU HB2 H 2.023 0.05 2 813 81 GLU HG2 H 2.363 0.05 2 814 81 GLU H H 8.659 0.05 1 815 81 GLU N N 118.050 0.10 1 816 82 GLU C C 179.142 0.10 1 817 82 GLU CA C 59.075 0.10 1 818 82 GLU CB C 29.313 0.10 1 819 82 GLU CG C 36.824 0.10 1 820 82 GLU HA H 4.355 0.05 2 821 82 GLU HB2 H 1.946 0.05 2 822 82 GLU HB3 H 2.073 0.05 2 823 82 GLU HG3 H 2.269 0.05 2 824 82 GLU H H 8.384 0.05 1 825 82 GLU N N 114.068 0.10 1 826 83 GLU C C 176.001 0.10 1 827 83 GLU CA C 56.510 0.10 1 828 83 GLU CB C 29.228 0.10 1 829 83 GLU CG C 36.594 0.10 1 830 83 GLU HA H 4.472 0.05 2 831 83 GLU HB2 H 1.696 0.05 2 832 83 GLU HB3 H 2.700 0.05 2 833 83 GLU HG2 H 2.094 0.05 2 834 83 GLU HG3 H 2.349 0.05 2 835 83 GLU H H 8.169 0.05 1 836 83 GLU N N 116.007 0.10 1 837 84 GLY CA C 44.195 0.10 1 838 84 GLY HA2 H 3.800 0.05 2 839 84 GLY HA3 H 5.183 0.05 2 840 84 GLY H H 7.723 0.05 1 841 84 GLY N N 108.013 0.10 1 842 85 PRO C C 172.388 0.10 1 843 85 PRO CA C 64.012 0.10 1 844 85 PRO CB C 32.676 0.10 1 845 85 PRO CD C 48.811 0.10 1 846 85 PRO CG C 29.373 0.10 1 847 85 PRO HA H 3.942 0.05 2 848 85 PRO HB2 H 1.706 0.05 2 849 85 PRO HB3 H 1.999 0.05 2 850 85 PRO HD2 H 3.220 0.05 2 851 85 PRO HD3 H 4.241 0.05 2 852 85 PRO HG2 H 1.618 0.05 2 853 85 PRO HG3 H 1.881 0.05 2 854 86 LYS C C 173.667 0.10 1 855 86 LYS CA C 57.726 0.10 1 856 86 LYS CB C 36.818 0.10 1 857 86 LYS CD C 29.855 0.10 1 858 86 LYS CE C 41.951 0.10 1 859 86 LYS CG C 24.767 0.10 1 860 86 LYS HA H 4.515 0.05 2 861 86 LYS HB2 H 1.053 0.05 2 862 86 LYS HB3 H 1.224 0.05 2 863 86 LYS HD2 H 1.746 0.05 2 864 86 LYS HD3 H 1.530 0.05 2 865 86 LYS HE2 H 2.958 0.05 2 866 86 LYS HG2 H 1.514 0.05 2 867 86 LYS H H 8.859 0.05 1 868 86 LYS N N 120.656 0.10 1 869 87 THR C C 173.646 0.10 1 870 87 THR CA C 62.761 0.10 1 871 87 THR CB C 70.028 0.10 1 872 87 THR CG2 C 22.192 0.10 1 873 87 THR HA H 4.811 0.05 2 874 87 THR HB H 3.751 0.05 2 875 87 THR H H 6.826 0.05 1 876 87 THR N N 115.354 0.10 1 877 87 THR HG2 H 1.204 0.05 1 878 88 VAL C C 173.694 0.10 1 879 88 VAL CA C 60.211 0.10 1 880 88 VAL CB C 34.666 0.10 1 881 88 VAL CG1 C 23.416 0.10 1 882 88 VAL CG2 C 21.453 0.10 1 883 88 VAL HA H 4.837 0.05 2 884 88 VAL HB H 1.771 0.05 2 885 88 VAL H H 8.954 0.05 1 886 88 VAL N N 126.854 0.10 1 887 88 VAL HG1 H 0.227 0.05 2 888 88 VAL HG2 H 0.750 0.05 2 889 89 LYS C C 173.747 0.10 1 890 89 LYS CA C 55.042 0.10 1 891 89 LYS CB C 36.872 0.10 1 892 89 LYS CD C 29.984 0.10 1 893 89 LYS CG C 26.986 0.10 1 894 89 LYS HA H 4.934 0.05 2 895 89 LYS HB2 H 1.697 0.05 2 896 89 LYS HB3 H 2.030 0.05 2 897 89 LYS HD2 H 2.019 0.05 2 898 89 LYS HE2 H 2.761 0.05 2 899 89 LYS HE3 H 3.008 0.05 2 900 89 LYS HG3 H 1.366 0.05 2 901 89 LYS H H 9.281 0.05 1 902 89 LYS N N 125.628 0.10 1 903 90 PHE C C 175.140 0.10 1 904 90 PHE CA C 56.959 0.10 1 905 90 PHE CB C 43.109 0.10 1 906 90 PHE CD1 C 130.558 0.10 1 907 90 PHE HA H 5.264 0.05 2 908 90 PHE HB3 H 2.805 0.05 2 909 90 PHE H H 8.564 0.05 1 910 90 PHE N N 118.848 0.10 1 911 90 PHE HD1 H 6.365 0.05 3 912 90 PHE HE1 H 6.730 0.05 3 913 91 PHE CA C 56.434 0.10 1 914 91 PHE CB C 41.102 0.10 1 915 91 PHE HA H 5.020 0.05 2 916 91 PHE HB2 H 3.040 0.05 2 917 91 PHE H H 9.559 0.05 1 918 91 PHE N N 119.824 0.10 1 919 91 PHE HD1 H 7.199 0.05 3 920 92 SER C C 174.634 0.10 1 921 92 SER CA C 57.093 0.10 1 922 92 SER CB C 64.714 0.10 1 923 92 SER HA H 5.170 0.05 2 924 92 SER HB2 H 3.913 0.05 2 925 92 SER HB3 H 3.950 0.05 2 926 92 SER H H 8.666 0.05 1 927 92 SER N N 117.859 0.10 1 928 93 ASN C C 174.213 0.10 1 929 93 ASN CA C 54.077 0.10 1 930 93 ASN CB C 36.268 0.10 1 931 93 ASN HA H 4.640 0.05 2 932 93 ASN HB2 H 3.129 0.05 2 933 93 ASN HD21 H 7.448 0.05 2 934 93 ASN HD22 H 7.609 0.05 2 935 93 ASN H H 9.246 0.05 1 936 93 ASN N N 121.671 0.10 1 937 93 ASN ND2 N 111.659 0.10 1 938 94 LYS C C 175.436 0.10 1 939 94 LYS CA C 53.455 0.10 1 940 94 LYS CB C 34.003 0.10 1 941 94 LYS HA H 4.692 0.05 2 942 94 LYS HB3 H 1.607 0.05 2 943 94 LYS HE2 H 3.054 0.05 2 944 94 LYS H H 8.059 0.05 1 945 94 LYS N N 117.719 0.10 1 946 95 GLU C C 175.783 0.10 1 947 95 GLU CA C 55.440 0.10 1 948 95 GLU CB C 31.427 0.10 1 949 95 GLU CG C 36.180 0.10 1 950 95 GLU HA H 4.123 0.05 2 951 95 GLU HB2 H 1.536 0.05 2 952 95 GLU HB3 H 1.452 0.05 2 953 95 GLU HG2 H 2.009 0.05 2 954 95 GLU H H 8.408 0.05 1 955 95 GLU N N 122.173 0.10 1 956 96 HIS C C 175.077 0.10 1 957 96 HIS CA C 55.841 0.10 1 958 96 HIS CB C 27.325 0.10 1 959 96 HIS CD2 C 120.560 0.10 1 960 96 HIS CE1 C 137.356 0.10 1 961 96 HIS HA H 4.092 0.05 2 962 96 HIS HB3 H 3.063 0.05 2 963 96 HIS HD2 H 6.915 0.05 2 964 96 HIS HE1 H 8.048 0.05 2 965 96 HIS H H 8.267 0.05 1 966 96 HIS N N 115.056 0.10 1 967 97 MET C C 175.277 0.10 1 968 97 MET CA C 56.451 0.10 1 969 97 MET CB C 32.699 0.10 1 970 97 MET CE C 16.016 0.10 1 971 97 MET HA H 4.289 0.05 2 972 97 MET HB2 H 1.497 0.05 2 973 97 MET HB3 H 1.665 0.05 2 974 97 MET HG2 H 1.938 0.05 2 975 97 MET H H 8.106 0.05 1 976 97 MET N N 118.769 0.10 1 977 97 MET HE H 0.887 0.05 1 978 98 CYS CA C 56.115 0.10 1 979 98 CYS CB C 29.791 0.10 1 980 98 CYS HA H 4.354 0.05 2 981 98 CYS HB2 H 2.920 0.05 2 982 98 CYS HB3 H 2.974 0.05 2 983 98 CYS H H 8.729 0.05 1 984 98 CYS N N 118.109 0.10 1 985 99 PHE C C 177.230 0.10 1 986 99 PHE CA C 62.852 0.10 1 987 99 PHE CB C 37.870 0.10 1 988 99 PHE CD1 C 131.495 0.10 1 989 99 PHE HA H 3.998 0.05 2 990 99 PHE HB2 H 2.883 0.05 2 991 99 PHE HB3 H 3.283 0.05 2 992 99 PHE H H 8.033 0.05 1 993 99 PHE N N 118.100 0.10 1 994 99 PHE HD1 H 7.323 0.05 3 995 100 SER CA C 60.234 0.10 1 996 100 SER CB C 62.832 0.10 1 997 100 SER HA H 4.353 0.05 2 998 100 SER HB2 H 3.884 0.05 2 999 100 SER HB3 H 3.963 0.05 2 1000 100 SER H H 8.147 0.05 1 1001 100 SER N N 112.229 0.10 1 1002 101 ASN C C 177.591 0.10 1 1003 101 ASN CA C 52.966 0.10 1 1004 101 ASN CB C 39.804 0.10 1 1005 101 ASN HA H 4.885 0.05 2 1006 101 ASN HB2 H 2.675 0.05 2 1007 101 ASN HB3 H 3.008 0.05 2 1008 101 ASN HD21 H 6.572 0.05 2 1009 101 ASN HD22 H 7.452 0.05 2 1010 101 ASN H H 7.406 0.05 1 1011 101 ASN N N 117.125 0.10 1 1012 101 ASN ND2 N 108.628 0.10 1 1013 102 VAL C C 175.112 0.10 1 1014 102 VAL CA C 64.470 0.10 1 1015 102 VAL CB C 30.852 0.10 1 1016 102 VAL CG1 C 20.692 0.10 1 1017 102 VAL CG2 C 19.676 0.10 1 1018 102 VAL HA H 3.463 0.05 2 1019 102 VAL HB H 1.650 0.05 2 1020 102 VAL H H 7.181 0.05 1 1021 102 VAL N N 118.674 0.10 1 1022 102 VAL HG1 H 0.153 0.05 2 1023 102 VAL HG2 H 0.291 0.05 2 1024 103 ASN C C 175.818 0.10 1 1025 103 ASN CA C 53.992 0.10 1 1026 103 ASN CB C 38.882 0.10 1 1027 103 ASN HA H 4.881 0.05 2 1028 103 ASN HB2 H 2.694 0.05 2 1029 103 ASN HB3 H 2.934 0.05 2 1030 103 ASN HD21 H 7.165 0.05 2 1031 103 ASN HD22 H 7.638 0.05 2 1032 103 ASN H H 8.041 0.05 1 1033 103 ASN N N 115.680 0.10 1 1034 103 ASN ND2 N 114.470 0.10 1 1035 104 ASP C C 175.593 0.10 1 1036 104 ASP CA C 55.858 0.10 1 1037 104 ASP CB C 41.268 0.10 1 1038 104 ASP HA H 4.528 0.05 2 1039 104 ASP HB2 H 2.754 0.05 2 1040 104 ASP HB3 H 2.692 0.05 2 1041 104 ASP H H 7.661 0.05 1 1042 104 ASP N N 118.846 0.10 1 1043 105 PHE CA C 52.147 0.10 1 1044 105 PHE CB C 43.404 0.10 1 1045 105 PHE HA H 4.883 0.05 2 1046 105 PHE HB2 H 1.648 0.05 2 1047 105 PHE HB3 H 1.541 0.05 2 1048 105 PHE H H 7.395 0.05 1 1049 105 PHE N N 120.539 0.10 1 1050 105 PHE HD1 H 7.207 0.05 4 1051 106 PRO CA C 60.549 0.10 1 1052 106 PRO CB C 31.186 0.10 1 1053 106 PRO CD C 50.467 0.10 1 1054 106 PRO CG C 27.674 0.10 1 1055 106 PRO HA H 4.877 0.05 2 1056 106 PRO HB2 H 1.915 0.05 2 1057 106 PRO HB3 H 2.345 0.05 2 1058 106 PRO HD2 H 3.710 0.05 2 1059 106 PRO HD3 H 3.942 0.05 2 1060 106 PRO HG2 H 2.254 0.05 2 1061 106 PRO HG3 H 2.107 0.05 2 1062 107 PRO C C 177.740 0.10 1 1063 107 PRO CA C 62.421 0.10 1 1064 107 PRO CB C 31.685 0.10 1 1065 107 PRO CD C 50.552 0.10 1 1066 107 PRO CG C 27.513 0.10 1 1067 107 PRO HA H 4.019 0.05 2 1068 107 PRO HB2 H 1.545 0.05 2 1069 107 PRO HB3 H 1.687 0.05 2 1070 107 PRO HD2 H 3.682 0.05 2 1071 107 PRO HD3 H 4.175 0.05 2 1072 107 PRO HG2 H 1.905 0.05 2 1073 108 SER C C 173.727 0.10 1 1074 108 SER CA C 62.339 0.10 1 1075 108 SER CB C 63.887 0.10 1 1076 108 SER HA H 4.268 0.05 2 1077 108 SER HB2 H 3.554 0.05 2 1078 108 SER HB3 H 3.413 0.05 2 1079 108 SER H H 8.863 0.05 1 1080 108 SER N N 119.727 0.10 1 1081 109 ASP C C 174.369 0.10 1 1082 109 ASP CA C 53.920 0.10 1 1083 109 ASP CB C 44.292 0.10 1 1084 109 ASP HA H 4.925 0.05 2 1085 109 ASP HB2 H 2.401 0.05 2 1086 109 ASP HB3 H 3.027 0.05 2 1087 109 ASP H H 7.815 0.05 1 1088 109 ASP N N 112.993 0.10 1 1089 110 THR C C 172.075 0.10 1 1090 110 THR CA C 61.612 0.10 1 1091 110 THR CB C 71.954 0.10 1 1092 110 THR CG2 C 21.749 0.10 1 1093 110 THR HA H 5.149 0.05 2 1094 110 THR HB H 4.064 0.05 2 1095 110 THR H H 9.147 0.05 1 1096 110 THR N N 116.645 0.10 1 1097 110 THR HG2 H 1.164 0.05 1 1098 111 ALA C C 174.522 0.10 1 1099 111 ALA CA C 51.064 0.10 1 1100 111 ALA CB C 23.410 0.10 1 1101 111 ALA HA H 4.873 0.05 2 1102 111 ALA H H 9.607 0.05 1 1103 111 ALA N N 126.804 0.10 1 1104 111 ALA HB H 1.572 0.05 1 1105 112 GLU C C 176.373 0.10 1 1106 112 GLU CA C 54.040 0.10 1 1107 112 GLU CB C 30.238 0.10 1 1108 112 GLU CG C 35.637 0.10 1 1109 112 GLU HA H 5.190 0.05 2 1110 112 GLU HB2 H 1.856 0.05 2 1111 112 GLU HB3 H 1.950 0.05 2 1112 112 GLU HG2 H 2.120 0.05 2 1113 112 GLU HG3 H 2.163 0.05 2 1114 112 GLU H H 8.423 0.05 1 1115 112 GLU N N 122.233 0.10 1 1116 113 LEU C C 178.194 0.10 1 1117 113 LEU CA C 55.154 0.10 1 1118 113 LEU CB C 41.724 0.10 1 1119 113 LEU CD1 C 24.162 0.10 1 1120 113 LEU CD2 C 26.699 0.10 1 1121 113 LEU CG C 27.981 0.10 1 1122 113 LEU HA H 4.608 0.05 2 1123 113 LEU HB2 H 1.440 0.05 2 1124 113 LEU HB3 H 1.953 0.05 2 1125 113 LEU HG H 1.776 0.05 2 1126 113 LEU H H 9.440 0.05 1 1127 113 LEU N N 125.071 0.10 1 1128 113 LEU HD1 H 0.931 0.05 2 1129 113 LEU HD2 H 0.891 0.05 2 1130 114 THR C C 176.167 0.10 1 1131 114 THR CA C 59.437 0.10 1 1132 114 THR CB C 72.261 0.10 1 1133 114 THR CG2 C 21.608 0.10 1 1134 114 THR HA H 4.867 0.05 2 1135 114 THR HB H 4.835 0.05 2 1136 114 THR H H 9.207 0.05 1 1137 114 THR N N 114.636 0.10 1 1138 114 THR HG2 H 1.408 0.05 1 1139 115 GLU CA C 60.106 0.10 1 1140 115 GLU CB C 28.822 0.10 1 1141 115 GLU CG C 36.102 0.10 1 1142 115 GLU HA H 4.018 0.05 2 1143 115 GLU HB2 H 2.155 0.05 2 1144 115 GLU HB3 H 2.116 0.05 2 1145 115 GLU HG3 H 2.351 0.05 2 1146 115 GLU H H 9.401 0.05 1 1147 115 GLU N N 120.249 0.10 1 1148 116 GLU C C 180.666 0.10 1 1149 116 GLU CA C 59.301 0.10 1 1150 116 GLU CB C 29.545 0.10 1 1151 116 GLU CG C 36.644 0.10 1 1152 116 GLU HA H 4.070 0.05 2 1153 116 GLU HB3 H 1.975 0.05 2 1154 116 GLU HG3 H 2.344 0.05 2 1155 116 GLU H H 8.141 0.05 1 1156 116 GLU N N 117.163 0.10 1 1157 117 ASN C C 178.406 0.10 1 1158 117 ASN CA C 57.463 0.10 1 1159 117 ASN CB C 39.759 0.10 1 1160 117 ASN HA H 5.041 0.05 2 1161 117 ASN HB2 H 3.281 0.05 2 1162 117 ASN HB3 H 3.032 0.05 2 1163 117 ASN HD21 H 7.359 0.05 2 1164 117 ASN H H 7.804 0.05 1 1165 117 ASN N N 118.314 0.10 1 1166 117 ASN ND2 N 108.587 0.10 1 1167 118 LEU C C 178.211 0.10 1 1168 118 LEU CA C 57.433 0.10 1 1169 118 LEU CB C 40.396 0.10 1 1170 118 LEU CD2 C 22.205 0.10 1 1171 118 LEU CG C 26.636 0.10 1 1172 118 LEU HA H 4.888 0.05 2 1173 118 LEU HB2 H 1.946 0.05 2 1174 118 LEU HB3 H 2.082 0.05 2 1175 118 LEU HG H 1.713 0.05 2 1176 118 LEU H H 8.030 0.05 1 1177 118 LEU N N 120.986 0.10 1 1178 118 LEU HD2 H 0.904 0.05 2 1179 119 LYS C C 177.440 0.10 1 1180 119 LYS CA C 56.604 0.10 1 1181 119 LYS CB C 32.841 0.10 1 1182 119 LYS CD C 29.130 0.10 1 1183 119 LYS CE C 42.340 0.10 1 1184 119 LYS CG C 25.696 0.10 1 1185 119 LYS HA H 4.444 0.05 2 1186 119 LYS HB2 H 1.892 0.05 2 1187 119 LYS HB3 H 2.188 0.05 2 1188 119 LYS HD2 H 1.724 0.05 2 1189 119 LYS HE2 H 3.007 0.05 2 1190 119 LYS HG2 H 1.589 0.05 2 1191 119 LYS HG3 H 1.706 0.05 2 1192 119 LYS H H 7.227 0.05 1 1193 119 LYS N N 114.907 0.10 1 1194 120 GLY C C 173.191 0.10 1 1195 120 GLY CA C 44.894 0.10 1 1196 120 GLY HA2 H 4.593 0.05 2 1197 120 GLY HA3 H 3.306 0.05 2 1198 120 GLY H H 8.383 0.05 1 1199 120 GLY N N 107.141 0.10 1 1200 121 LYS CA C 55.145 0.10 1 1201 121 LYS CB C 33.402 0.10 1 1202 121 LYS HA H 4.611 0.05 2 1203 121 LYS HB2 H 1.480 0.05 2 1204 121 LYS HB3 H 1.758 0.05 2 1205 121 LYS HD2 H 2.100 0.05 2 1206 121 LYS HD3 H 1.942 0.05 2 1207 121 LYS HE2 H 3.003 0.05 2 1208 121 LYS HG2 H 1.642 0.05 2 1209 121 LYS H H 7.698 0.05 1 1210 121 LYS N N 123.168 0.10 1 1211 122 PRO C C 175.295 0.10 1 1212 122 PRO CA C 63.183 0.10 1 1213 122 PRO CB C 33.026 0.10 1 1214 122 PRO CD C 51.838 0.10 1 1215 122 PRO CG C 27.600 0.10 1 1216 122 PRO HA H 4.670 0.05 2 1217 122 PRO HB2 H 1.732 0.05 2 1218 122 PRO HB3 H 2.102 0.05 2 1219 122 PRO HD2 H 3.593 0.05 2 1220 122 PRO HD3 H 4.288 0.05 2 1221 122 PRO HG2 H 1.919 0.05 2 1222 122 PRO HG3 H 1.980 0.05 2 1223 123 VAL C C 174.495 0.10 1 1224 123 VAL CA C 61.097 0.10 1 1225 123 VAL CB C 33.102 0.10 1 1226 123 VAL CG1 C 21.101 0.10 1 1227 123 VAL CG2 C 21.149 0.10 1 1228 123 VAL HA H 3.927 0.05 2 1229 123 VAL HB H 0.844 0.05 2 1230 123 VAL H H 8.698 0.05 1 1231 123 VAL N N 123.098 0.10 1 1232 123 VAL HG1 H 0.643 0.05 2 1233 123 VAL HG2 H 0.727 0.05 2 1234 124 VAL C C 176.703 0.10 1 1235 124 VAL CA C 62.739 0.10 1 1236 124 VAL CB C 31.898 0.10 1 1237 124 VAL CG2 C 21.348 0.10 1 1238 124 VAL HA H 3.827 0.05 2 1239 124 VAL HB H 1.922 0.05 2 1240 124 VAL H H 8.287 0.05 1 1241 124 VAL N N 125.846 0.10 1 1242 124 VAL HG2 H 0.913 0.05 2 1243 125 LEU C C 177.909 0.10 1 1244 125 LEU CA C 54.220 0.10 1 1245 125 LEU CB C 44.084 0.10 1 1246 125 LEU CD1 C 22.069 0.10 1 1247 125 LEU CD2 C 24.864 0.10 1 1248 125 LEU CG C 27.206 0.10 1 1249 125 LEU HA H 4.363 0.05 2 1250 125 LEU HB2 H 1.176 0.05 2 1251 125 LEU HG H 1.226 0.05 2 1252 125 LEU H H 7.929 0.05 1 1253 125 LEU N N 128.340 0.10 1 1254 125 LEU HD1 H 0.164 0.05 2 1255 125 LEU HD2 H -0.297 0.05 2 1256 126 LYS C C 176.623 0.10 1 1257 126 LYS CA C 56.054 0.10 1 1258 126 LYS CB C 30.623 0.10 1 1259 126 LYS CD C 29.439 0.10 1 1260 126 LYS CE C 42.482 0.10 1 1261 126 LYS CG C 24.898 0.10 1 1262 126 LYS HA H 4.352 0.05 2 1263 126 LYS HB2 H 1.714 0.05 2 1264 126 LYS HD2 H 1.708 0.05 2 1265 126 LYS HD3 H 1.761 0.05 2 1266 126 LYS HE2 H 3.089 0.05 2 1267 126 LYS HG2 H 1.454 0.05 2 1268 126 LYS HG3 H 1.684 0.05 2 1269 126 LYS H H 8.574 0.05 1 1270 126 LYS N N 121.435 0.10 1 1271 127 TYR C C 178.817 0.10 1 1272 127 TYR CA C 60.416 0.10 1 1273 127 TYR CB C 38.801 0.10 1 1274 127 TYR CD1 C 133.778 0.10 1 1275 127 TYR CE1 C 118.257 0.10 1 1276 127 TYR HA H 4.420 0.05 2 1277 127 TYR HB2 H 3.051 0.05 2 1278 127 TYR HB3 H 3.531 0.05 2 1279 127 TYR H H 7.800 0.05 1 1280 127 TYR N N 126.609 0.10 1 1281 127 TYR HD1 H 7.201 0.05 3 1282 127 TYR HE1 H 6.838 0.05 3 1283 128 VAL C C 176.919 0.10 1 1284 128 VAL CA C 64.496 0.10 1 1285 128 VAL CB C 31.390 0.10 1 1286 128 VAL CG2 C 20.818 0.10 1 1287 128 VAL HA H 3.937 0.05 2 1288 128 VAL HB H 2.144 0.05 2 1289 128 VAL H H 8.064 0.05 1 1290 128 VAL N N 118.853 0.10 1 1291 128 VAL HG2 H 0.909 0.05 2 1292 129 LYS C C 176.832 0.10 1 1293 129 LYS CA C 55.478 0.10 1 1294 129 LYS CB C 31.700 0.10 1 1295 129 LYS CD C 28.196 0.10 1 1296 129 LYS CG C 24.623 0.10 1 1297 129 LYS HA H 4.256 0.05 2 1298 129 LYS HB2 H 1.440 0.05 2 1299 129 LYS HD2 H 1.649 0.05 2 1300 129 LYS HE2 H 2.963 0.05 2 1301 129 LYS HE3 H 3.020 0.05 2 1302 129 LYS HG2 H 1.243 0.05 2 1303 129 LYS H H 7.973 0.05 1 1304 129 LYS N N 117.671 0.10 1 1305 130 PHE C C 174.275 0.10 1 1306 130 PHE CA C 56.459 0.10 1 1307 130 PHE CB C 40.705 0.10 1 1308 130 PHE CD1 C 133.270 0.10 1 1309 130 PHE HA H 4.849 0.05 2 1310 130 PHE HB2 H 3.012 0.05 2 1311 130 PHE HB3 H 3.536 0.05 2 1312 130 PHE H H 7.793 0.05 1 1313 130 PHE N N 118.183 0.10 1 1314 130 PHE HD1 H 7.150 0.05 2 1315 131 GLN C C 174.826 0.10 1 1316 131 GLN CA C 55.660 0.10 1 1317 131 GLN CB C 29.934 0.10 1 1318 131 GLN CG C 34.209 0.10 1 1319 131 GLN HA H 4.322 0.05 2 1320 131 GLN HB2 H 2.191 0.05 2 1321 131 GLN HB3 H 1.951 0.05 2 1322 131 GLN HE21 H 6.126 0.05 2 1323 131 GLN HE22 H 7.160 0.05 2 1324 131 GLN HG3 H 2.336 0.05 2 1325 131 GLN H H 8.201 0.05 1 1326 131 GLN N N 114.853 0.10 1 1327 131 GLN NE2 N 114.025 0.10 1 1328 132 ASN C C 174.693 0.10 1 1329 132 ASN CA C 52.607 0.10 1 1330 132 ASN CB C 38.448 0.10 1 1331 132 ASN HA H 4.574 0.05 2 1332 132 ASN HB3 H 2.644 0.05 2 1333 132 ASN HD21 H 6.816 0.05 2 1334 132 ASN H H 8.131 0.05 1 1335 132 ASN N N 119.424 0.10 1 1336 132 ASN ND2 N 112.502 0.10 1 1337 133 VAL C C 174.415 0.10 1 1338 133 VAL CA C 64.417 0.10 1 1339 133 VAL CB C 32.324 0.10 1 1340 133 VAL CG1 C 22.796 0.10 1 1341 133 VAL CG2 C 22.767 0.10 1 1342 133 VAL HA H 4.011 0.05 2 1343 133 VAL HB H 2.144 0.05 2 1344 133 VAL H H 8.664 0.05 1 1345 133 VAL N N 124.282 0.10 1 1346 133 VAL HG1 H 1.147 0.05 2 1347 133 VAL HG2 H 0.969 0.05 2 1348 134 ARG CA C 55.851 0.10 1 1349 134 ARG CB C 31.714 0.10 1 1350 134 ARG CD C 42.819 0.10 1 1351 134 ARG CG C 26.476 0.10 1 1352 134 ARG HA H 4.840 0.05 2 1353 134 ARG HB2 H 1.827 0.05 2 1354 134 ARG HB3 H 1.982 0.05 2 1355 134 ARG HD3 H 3.228 0.05 2 1356 134 ARG HG2 H 1.706 0.05 2 1357 134 ARG H H 10.245 0.05 1 1358 134 ARG N N 126.763 0.10 1 1359 135 SER C C 171.137 0.10 1 1360 135 SER CA C 57.447 0.10 1 1361 135 SER CB C 65.398 0.10 1 1362 135 SER HA H 5.058 0.05 2 1363 135 SER HB2 H 3.449 0.05 2 1364 135 SER H H 8.386 0.05 1 1365 135 SER N N 113.901 0.10 1 1366 136 LEU C C 174.045 0.10 1 1367 136 LEU CA C 53.289 0.10 1 1368 136 LEU CB C 48.760 0.10 1 1369 136 LEU CD1 C 27.321 0.10 1 1370 136 LEU CD2 C 23.754 0.10 1 1371 136 LEU CG C 27.145 0.10 1 1372 136 LEU HA H 5.225 0.05 2 1373 136 LEU HB2 H 1.378 0.05 2 1374 136 LEU HB3 H 1.861 0.05 2 1375 136 LEU HG H 1.597 0.05 2 1376 136 LEU H H 8.872 0.05 1 1377 136 LEU N N 123.607 0.10 1 1378 136 LEU HD1 H 0.901 0.05 2 1379 136 LEU HD2 H 1.094 0.05 2 1380 137 THR C C 173.900 0.10 1 1381 137 THR CA C 61.516 0.10 1 1382 137 THR CB C 70.301 0.10 1 1383 137 THR CG2 C 22.249 0.10 1 1384 137 THR HA H 5.716 0.05 2 1385 137 THR HB H 4.223 0.05 2 1386 137 THR H H 9.050 0.05 1 1387 137 THR N N 122.182 0.10 1 1388 137 THR HG2 H 1.085 0.05 1 1389 138 ILE C C 173.757 0.10 1 1390 138 ILE CA C 60.386 0.10 1 1391 138 ILE CB C 40.418 0.10 1 1392 138 ILE CD1 C 13.888 0.10 1 1393 138 ILE CG1 C 26.384 0.10 1 1394 138 ILE CG2 C 16.561 0.10 1 1395 138 ILE HA H 4.315 0.05 2 1396 138 ILE HB H 1.675 0.05 2 1397 138 ILE HG12 H 0.577 0.05 2 1398 138 ILE HG13 H 1.464 0.05 2 1399 138 ILE H H 9.920 0.05 1 1400 138 ILE N N 127.358 0.10 1 1401 138 ILE HD1 H 0.664 0.05 1 1402 138 ILE HG2 H 0.251 0.05 1 1403 139 PHE C C 174.279 0.10 1 1404 139 PHE CA C 52.857 0.10 1 1405 139 PHE CB C 41.594 0.10 1 1406 139 PHE CD1 C 130.443 0.10 1 1407 139 PHE HA H 5.827 0.05 2 1408 139 PHE HB2 H 3.334 0.05 2 1409 139 PHE HB3 H 2.959 0.05 2 1410 139 PHE H H 9.709 0.05 1 1411 139 PHE N N 128.747 0.10 1 1412 139 PHE HD1 H 7.295 0.05 3 1413 139 PHE HE1 H 7.490 0.05 3 1414 140 ILE C C 172.317 0.10 1 1415 140 ILE CA C 60.966 0.10 1 1416 140 ILE CB C 37.679 0.10 1 1417 140 ILE CD1 C 13.547 0.10 1 1418 140 ILE CG1 C 28.252 0.10 1 1419 140 ILE CG2 C 17.307 0.10 1 1420 140 ILE HA H 4.283 0.05 2 1421 140 ILE HB H 1.938 0.05 2 1422 140 ILE HG12 H 1.555 0.05 2 1423 140 ILE H H 9.110 0.05 1 1424 140 ILE N N 128.752 0.10 1 1425 140 ILE HD1 H 0.715 0.05 1 1426 140 ILE HG2 H 0.868 0.05 1 1427 141 GLU C C 174.957 0.10 1 1428 141 GLU CA C 56.222 0.10 1 1429 141 GLU CB C 32.249 0.10 1 1430 141 GLU CG C 36.744 0.10 1 1431 141 GLU HA H 3.530 0.05 2 1432 141 GLU HB2 H 1.044 0.05 2 1433 141 GLU HB3 H 1.372 0.05 2 1434 141 GLU HG2 H 2.032 0.05 2 1435 141 GLU HG3 H 2.102 0.05 2 1436 141 GLU H H 7.565 0.05 1 1437 141 GLU N N 126.744 0.10 1 1438 142 ALA C C 176.831 0.10 1 1439 142 ALA CA C 50.774 0.10 1 1440 142 ALA CB C 23.781 0.10 1 1441 142 ALA HA H 4.689 0.05 2 1442 142 ALA H H 7.315 0.05 1 1443 142 ALA N N 114.991 0.10 1 1444 142 ALA HB H 1.437 0.05 1 1445 143 ASN C C 175.790 0.10 1 1446 143 ASN CA C 52.166 0.10 1 1447 143 ASN CB C 41.301 0.10 1 1448 143 ASN HA H 4.997 0.05 2 1449 143 ASN HB2 H 2.726 0.05 2 1450 143 ASN HB3 H 2.932 0.05 2 1451 143 ASN HD21 H 7.303 0.05 2 1452 143 ASN HD22 H 7.694 0.05 2 1453 143 ASN H H 9.398 0.05 1 1454 143 ASN N N 120.603 0.10 1 1455 143 ASN ND2 N 118.854 0.10 1 1456 144 GLN C C 177.597 0.10 1 1457 144 GLN CA C 59.294 0.10 1 1458 144 GLN CB C 28.819 0.10 1 1459 144 GLN CG C 32.797 0.10 1 1460 144 GLN HA H 3.692 0.05 2 1461 144 GLN HB2 H 2.172 0.05 2 1462 144 GLN HB3 H 2.374 0.05 2 1463 144 GLN HE21 H 7.008 0.05 2 1464 144 GLN HE22 H 7.123 0.05 2 1465 144 GLN HG2 H 2.239 0.05 2 1466 144 GLN HG3 H 2.470 0.05 2 1467 144 GLN H H 8.007 0.05 1 1468 144 GLN N N 113.000 0.10 1 1469 144 GLN NE2 N 112.115 0.10 1 1470 145 SER C C 175.444 0.10 1 1471 145 SER CA C 58.201 0.10 1 1472 145 SER CB C 65.771 0.10 1 1473 145 SER HA H 4.840 0.05 2 1474 145 SER HB2 H 4.029 0.05 2 1475 145 SER HB3 H 3.905 0.05 2 1476 145 SER H H 8.017 0.05 1 1477 145 SER N N 108.920 0.10 1 1478 146 GLY C C 175.902 0.10 1 1479 146 GLY CA C 46.684 0.10 1 1480 146 GLY HA3 H 4.000 0.05 2 1481 146 GLY H H 8.194 0.05 1 1482 146 GLY N N 114.525 0.10 1 1483 147 SER C C 175.956 0.10 1 1484 147 SER CA C 58.059 0.10 1 1485 147 SER CB C 63.580 0.10 1 1486 147 SER HA H 4.339 0.05 2 1487 147 SER HB2 H 3.752 0.05 2 1488 147 SER HB3 H 4.019 0.05 2 1489 147 SER H H 8.485 0.05 1 1490 147 SER N N 116.889 0.10 1 1491 148 GLU C C 175.081 0.10 1 1492 148 GLU CA C 59.000 0.10 1 1493 148 GLU CB C 29.816 0.10 1 1494 148 GLU CG C 36.721 0.10 1 1495 148 GLU HA H 4.086 0.05 2 1496 148 GLU HB2 H 2.052 0.05 2 1497 148 GLU HB3 H 1.961 0.05 2 1498 148 GLU HG2 H 2.343 0.05 2 1499 148 GLU H H 8.950 0.05 1 1500 148 GLU N N 122.915 0.10 1 1501 149 VAL C C 174.572 0.10 1 1502 149 VAL CA C 59.973 0.10 1 1503 149 VAL CB C 35.080 0.10 1 1504 149 VAL CG2 C 21.122 0.10 1 1505 149 VAL HA H 4.023 0.05 2 1506 149 VAL HB H 1.875 0.05 2 1507 149 VAL H H 7.319 0.05 1 1508 149 VAL N N 113.881 0.10 1 1509 149 VAL HG2 H 0.829 0.05 2 1510 150 THR C C 173.709 0.10 1 1511 150 THR CA C 60.742 0.10 1 1512 150 THR CB C 69.240 0.10 1 1513 150 THR CG2 C 23.365 0.10 1 1514 150 THR HA H 4.997 0.05 2 1515 150 THR HB H 3.610 0.05 2 1516 150 THR H H 8.485 0.05 1 1517 150 THR N N 124.563 0.10 1 1518 150 THR HG2 H 1.088 0.05 1 1519 151 LYS C C 174.335 0.10 1 1520 151 LYS CA C 54.832 0.10 1 1521 151 LYS CB C 36.086 0.10 1 1522 151 LYS CD C 29.761 0.10 1 1523 151 LYS CG C 26.416 0.10 1 1524 151 LYS HA H 5.192 0.05 2 1525 151 LYS HB2 H 1.303 0.05 2 1526 151 LYS HB3 H 1.384 0.05 2 1527 151 LYS HD2 H 1.416 0.05 2 1528 151 LYS HE2 H 2.603 0.05 2 1529 151 LYS HE3 H 2.721 0.05 2 1530 151 LYS HG2 H 1.125 0.05 2 1531 151 LYS H H 7.852 0.05 1 1532 151 LYS N N 123.318 0.10 1 1533 152 VAL C C 174.589 0.10 1 1534 152 VAL CA C 61.098 0.10 1 1535 152 VAL CB C 34.953 0.10 1 1536 152 VAL CG1 C 21.246 0.10 1 1537 152 VAL CG2 C 22.665 0.10 1 1538 152 VAL HA H 4.263 0.05 2 1539 152 VAL HB H 1.949 0.05 2 1540 152 VAL H H 9.359 0.05 1 1541 152 VAL N N 120.257 0.10 1 1542 152 VAL HG1 H 0.639 0.05 2 1543 152 VAL HG2 H 0.861 0.05 2 1544 153 GLN C C 174.843 0.10 1 1545 153 GLN CA C 57.835 0.10 1 1546 153 GLN CB C 31.325 0.10 1 1547 153 GLN CG C 34.895 0.10 1 1548 153 GLN HA H 4.654 0.05 2 1549 153 GLN HB2 H 2.016 0.05 2 1550 153 GLN HB3 H 1.854 0.05 2 1551 153 GLN HE21 H 7.028 0.05 2 1552 153 GLN HE22 H 7.793 0.05 2 1553 153 GLN HG3 H 2.365 0.05 2 1554 153 GLN H H 9.265 0.05 1 1555 153 GLN N N 127.651 0.10 1 1556 153 GLN NE2 N 111.280 0.10 1 1557 154 LYS C C 174.037 0.10 1 1558 154 LYS CA C 55.656 0.10 1 1559 154 LYS CB C 37.046 0.10 1 1560 154 LYS CD C 30.324 0.10 1 1561 154 LYS CG C 26.303 0.10 1 1562 154 LYS HA H 5.221 0.05 2 1563 154 LYS HB2 H 1.284 0.05 2 1564 154 LYS HB3 H 1.387 0.05 2 1565 154 LYS HD2 H 1.456 0.05 2 1566 154 LYS HD3 H 1.528 0.05 2 1567 154 LYS HE2 H 2.710 0.05 2 1568 154 LYS HG2 H 1.128 0.05 2 1569 154 LYS H H 7.446 0.05 1 1570 154 LYS N N 115.060 0.10 1 1571 155 ILE C C 172.956 0.10 1 1572 155 ILE CA C 60.663 0.10 1 1573 155 ILE CB C 41.515 0.10 1 1574 155 ILE CD1 C 13.971 0.10 1 1575 155 ILE CG1 C 28.117 0.10 1 1576 155 ILE CG2 C 15.806 0.10 1 1577 155 ILE HA H 4.803 0.05 2 1578 155 ILE HB H 1.466 0.05 2 1579 155 ILE HG12 H 0.881 0.05 2 1580 155 ILE H H 8.514 0.05 1 1581 155 ILE N N 125.334 0.10 1 1582 155 ILE HD1 H 0.670 0.05 1 1583 155 ILE HG2 H 0.646 0.05 1 1584 156 ALA C C 174.128 0.10 1 1585 156 ALA CA C 50.533 0.10 1 1586 156 ALA CB C 22.710 0.10 1 1587 156 ALA HA H 4.785 0.05 2 1588 156 ALA H H 9.296 0.05 1 1589 156 ALA N N 129.213 0.10 1 1590 156 ALA HB H 1.213 0.05 1 1591 157 LEU C C 173.653 0.10 1 1592 157 LEU CA C 53.024 0.10 1 1593 157 LEU CB C 44.455 0.10 1 1594 157 LEU CD1 C 22.991 0.10 1 1595 157 LEU CG C 26.270 0.10 1 1596 157 LEU HA H 4.545 0.05 2 1597 157 LEU HB2 H 1.271 0.05 2 1598 157 LEU HB3 H 1.788 0.05 2 1599 157 LEU HG H 0.884 0.05 2 1600 157 LEU H H 9.122 0.05 1 1601 157 LEU N N 122.559 0.10 1 1602 157 LEU HD1 H 0.788 0.05 2 1603 158 TYR C C 176.410 0.10 1 1604 158 TYR CA C 54.279 0.10 1 1605 158 TYR CB C 39.336 0.10 1 1606 158 TYR CE1 C 117.651 0.10 1 1607 158 TYR HA H 5.934 0.05 2 1608 158 TYR HB2 H 2.594 0.05 2 1609 158 TYR HB3 H 3.348 0.05 2 1610 158 TYR H H 8.701 0.05 1 1611 158 TYR N N 119.595 0.10 1 1612 158 TYR HD1 H 6.859 0.05 3 1613 158 TYR HE1 H 6.559 0.05 3 1614 159 GLY C C 171.026 0.10 1 1615 159 GLY CA C 47.103 0.10 1 1616 159 GLY HA2 H 4.613 0.05 2 1617 159 GLY HA3 H 4.978 0.05 2 1618 159 GLY H H 9.239 0.05 1 1619 159 GLY N N 111.376 0.10 1 1620 160 SER C C 172.108 0.10 1 1621 160 SER CA C 57.216 0.10 1 1622 160 SER CB C 65.721 0.10 1 1623 160 SER HA H 4.821 0.05 2 1624 160 SER HB2 H 4.077 0.05 2 1625 160 SER HB3 H 3.890 0.05 2 1626 160 SER H H 9.040 0.05 1 1627 160 SER N N 115.847 0.10 1 1628 161 THR CA C 62.599 0.10 1 1629 161 THR CB C 70.318 0.10 1 1630 161 THR CG2 C 21.890 0.10 1 1631 161 THR HA H 4.223 0.05 2 1632 161 THR HB H 4.242 0.05 2 1633 161 THR H H 7.667 0.05 1 1634 161 THR N N 113.111 0.10 1 1635 161 THR HG2 H 0.558 0.05 1 stop_ save_