data_5235 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignment and secondary structure determination of a C-terminal fragment of the Lupus Autoantigen (La) protein containing a putative RNA recognition motif (RRM) ; _BMRB_accession_number 5235 _BMRB_flat_file_name bmr5235.str _Entry_type original _Submission_date 2001-12-17 _Accession_date 2001-12-17 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jacks Amanda . . 2 Kelly Geoff . . 3 Curry Stephen . . 4 Conte Maria R . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 631 "13C chemical shifts" 453 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-08-22 original author . stop_ _Original_release_date 2002-08-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Resonance assignment and secondary structure determination of a C-terminal fragment of the Lupus Autoantigen (La) protein containing a putative RNA recognition motif (RRM) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22012555 _PubMed_ID 12018493 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jacks Amanda . . 2 Kelly Geoff . . 3 Curry Stephen . . 4 Conte Maria R . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 22 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 387 _Page_last 388 _Year 2002 _Details . loop_ _Keyword 'Lupus Autoantigen' RRM translation 'RNA binding' stop_ save_ ################################## # Molecular system description # ################################## save_system_La _Saveframe_category molecular_system _Mol_system_name 'Human Lupus autoantigen protein' _Abbreviation_common La _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'La C-terminal(225-334)' $La stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_La _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Lupus autoantigen protein' _Abbreviation_common La _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 121 _Mol_residue_sequence ; MRSGHHHHHHGSLEEKIGCL LKFSGDLDDQTCREDLHILF SNHGEIKWIDFVRGAKEGII LFKEKAKEALGKAKDANNGN LQLRNKEVTWEVLEGEVEKE ALKKIIEDQQESLNKWKSKG R ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 214 MET 2 215 ARG 3 216 SER 4 217 GLY 5 218 HIS 6 219 HIS 7 220 HIS 8 221 HIS 9 222 HIS 10 223 HIS 11 224 GLY 12 225 SER 13 226 LEU 14 227 GLU 15 228 GLU 16 229 LYS 17 230 ILE 18 231 GLY 19 232 CYS 20 233 LEU 21 234 LEU 22 235 LYS 23 236 PHE 24 237 SER 25 238 GLY 26 239 ASP 27 240 LEU 28 241 ASP 29 242 ASP 30 243 GLN 31 244 THR 32 245 CYS 33 246 ARG 34 247 GLU 35 248 ASP 36 249 LEU 37 250 HIS 38 251 ILE 39 252 LEU 40 253 PHE 41 254 SER 42 255 ASN 43 256 HIS 44 257 GLY 45 258 GLU 46 259 ILE 47 260 LYS 48 261 TRP 49 262 ILE 50 263 ASP 51 264 PHE 52 265 VAL 53 266 ARG 54 267 GLY 55 268 ALA 56 269 LYS 57 270 GLU 58 271 GLY 59 272 ILE 60 273 ILE 61 274 LEU 62 275 PHE 63 276 LYS 64 277 GLU 65 278 LYS 66 279 ALA 67 280 LYS 68 281 GLU 69 282 ALA 70 283 LEU 71 284 GLY 72 285 LYS 73 286 ALA 74 287 LYS 75 288 ASP 76 289 ALA 77 290 ASN 78 291 ASN 79 292 GLY 80 293 ASN 81 294 LEU 82 295 GLN 83 296 LEU 84 297 ARG 85 298 ASN 86 299 LYS 87 300 GLU 88 301 VAL 89 302 THR 90 303 TRP 91 304 GLU 92 305 VAL 93 306 LEU 94 307 GLU 95 308 GLY 96 309 GLU 97 310 VAL 98 311 GLU 99 312 LYS 100 313 GLU 101 314 ALA 102 315 LEU 103 316 LYS 104 317 LYS 105 318 ILE 106 319 ILE 107 320 GLU 108 321 ASP 109 322 GLN 110 323 GLN 111 324 GLU 112 325 SER 113 326 LEU 114 327 ASN 115 328 LYS 116 329 TRP 117 330 LYS 118 331 SER 119 332 LYS 120 333 GLY 121 334 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 BMRB 17878 human_La_protein 83.47 322 100.00 100.00 5.62e-62 PDB 1OWX "Solution Structure Of The C-Terminal Rrm Of Human La (La225- 334)" 100.00 121 98.35 98.35 1.70e-77 DBJ BAE87871 "unnamed protein product [Macaca fascicularis]" 90.91 405 100.00 100.00 2.15e-68 DBJ BAE87890 "unnamed protein product [Macaca fascicularis]" 90.91 405 100.00 100.00 2.15e-68 DBJ BAG70042 "autoantigen La [Homo sapiens]" 90.91 408 100.00 100.00 2.29e-68 DBJ BAG70165 "autoantigen La [Homo sapiens]" 90.91 408 100.00 100.00 2.20e-68 DBJ BAI45822 "Sjogren syndrome antigen B [synthetic construct]" 90.91 408 100.00 100.00 2.29e-68 EMBL CAA31985 "unnamed protein product [Homo sapiens]" 90.91 408 100.00 100.00 2.29e-68 EMBL CAA32815 "La 4.1 protein [Homo sapiens]" 90.91 296 98.18 98.18 7.72e-68 GB AAA36577 "ribonucleoprotein La, partial [Homo sapiens]" 90.91 355 99.09 99.09 7.20e-68 GB AAA51885 "La protein [Homo sapiens]" 90.91 408 100.00 100.00 2.29e-68 GB AAH01289 "Sjogren syndrome antigen B (autoantigen La) [Homo sapiens]" 90.91 408 100.00 100.00 2.29e-68 GB AAH20818 "Sjogren syndrome antigen B (autoantigen La) [Homo sapiens]" 90.91 408 100.00 100.00 2.29e-68 GB AAP88864 "Sjogren syndrome antigen B (autoantigen La) [Homo sapiens]" 90.91 408 100.00 100.00 2.29e-68 REF NP_001267347 "lupus La protein [Pan troglodytes]" 90.91 408 100.00 100.00 2.42e-68 REF NP_001270975 "Sjogren syndrome antigen B (autoantigen La) [Macaca fascicularis]" 90.91 405 100.00 100.00 2.15e-68 REF NP_001281074 "lupus La protein [Homo sapiens]" 90.91 408 100.00 100.00 2.29e-68 REF NP_003133 "lupus La protein [Homo sapiens]" 90.91 408 100.00 100.00 2.29e-68 REF XP_001497943 "PREDICTED: lupus La protein homolog isoform 1 [Equus caballus]" 90.91 405 97.27 99.09 1.60e-66 SP P05455 "RecName: Full=Lupus La protein; AltName: Full=La autoantigen; AltName: Full=La ribonucleoprotein; AltName: Full=Sjoegren syndro" 90.91 408 100.00 100.00 2.29e-68 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $La Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $La 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $La 1.0 mM '[U-95% 13C; U-93% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.1 n/a temperature 300 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 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 # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'La C-terminal(225-334)' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 12 SER N N 116.010 0.000 1 2 . 12 SER H H 8.310 0.000 1 3 . 12 SER CA C 58.475 0.000 1 4 . 12 SER HA H 4.440 0.000 1 5 . 12 SER CB C 63.776 0.000 1 6 . 12 SER HB2 H 3.860 0.000 2 7 . 12 SER HB3 H 3.950 0.000 2 8 . 12 SER C C 175.400 0.000 1 9 . 13 LEU N N 123.908 0.000 1 10 . 13 LEU H H 8.476 0.000 1 11 . 13 LEU CA C 56.516 0.000 1 12 . 13 LEU HA H 4.200 0.000 1 13 . 13 LEU CB C 42.109 0.000 1 14 . 13 LEU HB2 H 1.640 0.000 2 15 . 13 LEU HB3 H 1.570 0.000 2 16 . 13 LEU CG C 25.400 0.000 1 17 . 13 LEU HG H 0.840 0.000 1 18 . 13 LEU CD1 C 24.310 0.000 1 19 . 13 LEU CD2 C 24.310 0.000 1 20 . 13 LEU HD1 H 0.770 0.000 1 21 . 13 LEU HD2 H 0.770 0.000 1 22 . 13 LEU C C 177.800 0.000 1 23 . 14 GLU N N 118.908 0.000 1 24 . 14 GLU H H 8.407 0.000 1 25 . 14 GLU CA C 58.283 0.038 1 26 . 14 GLU HA H 4.050 0.000 1 27 . 14 GLU CB C 29.662 0.000 1 28 . 14 GLU HB2 H 2.000 0.000 1 29 . 14 GLU HB3 H 2.000 0.000 1 30 . 14 GLU CG C 36.880 0.000 1 31 . 14 GLU HG2 H 2.270 0.000 1 32 . 14 GLU HG3 H 2.270 0.000 1 33 . 14 GLU C C 177.200 0.000 1 34 . 15 GLU N N 119.158 0.000 1 35 . 15 GLU H H 8.136 0.000 1 36 . 15 GLU CA C 56.938 0.077 1 37 . 15 GLU HA H 4.250 0.000 1 38 . 15 GLU CB C 30.047 0.000 1 39 . 15 GLU HB2 H 2.050 0.000 1 40 . 15 GLU HB3 H 2.050 0.000 1 41 . 15 GLU CG C 36.880 0.000 1 42 . 15 GLU HG2 H 2.290 0.000 1 43 . 15 GLU HG3 H 2.290 0.000 1 44 . 15 GLU C C 176.200 0.000 1 45 . 16 LYS N N 120.908 0.000 1 46 . 16 LYS H H 8.004 0.000 1 47 . 16 LYS CA C 55.978 0.038 1 48 . 16 LYS HA H 4.500 0.000 1 49 . 16 LYS CB C 33.274 0.000 1 50 . 16 LYS HB2 H 1.770 0.000 2 51 . 16 LYS HB3 H 1.990 0.000 2 52 . 16 LYS CG C 25.400 0.000 1 53 . 16 LYS HG2 H 1.507 0.000 1 54 . 16 LYS HG3 H 1.507 0.000 1 55 . 16 LYS CD C 29.220 0.000 1 56 . 16 LYS HD2 H 1.670 0.000 1 57 . 16 LYS HD3 H 1.670 0.000 1 58 . 16 LYS CE C 41.300 0.000 1 59 . 16 LYS HE2 H 2.980 0.000 1 60 . 16 LYS HE3 H 2.980 0.000 1 61 . 16 LYS C C 175.300 0.000 1 62 . 17 ILE N N 120.158 0.000 1 63 . 17 ILE H H 7.486 0.000 1 64 . 17 ILE CA C 61.164 0.000 1 65 . 17 ILE HA H 4.220 0.000 1 66 . 17 ILE CB C 38.420 0.000 1 67 . 17 ILE HB H 1.970 0.000 1 68 . 17 ILE HG2 H 1.020 0.000 1 69 . 17 ILE CG2 C 17.700 0.000 1 70 . 17 ILE CG1 C 27.030 0.000 1 71 . 17 ILE HG12 H 1.200 0.000 1 72 . 17 ILE HG13 H 1.200 0.000 1 73 . 17 ILE HD1 H 0.788 0.000 1 74 . 17 ILE CD1 C 12.200 0.000 1 75 . 17 ILE C C 177.800 0.000 1 76 . 18 GLY N N 116.659 0.000 1 77 . 18 GLY H H 10.502 0.000 1 78 . 18 GLY CA C 46.220 0.038 1 79 . 18 GLY HA2 H 4.270 0.000 1 80 . 18 GLY HA3 H 4.270 0.000 1 81 . 18 GLY C C 177.090 0.000 1 82 . 19 CYS N N 118.408 0.000 1 83 . 19 CYS H H 8.562 0.000 1 84 . 19 CYS CA C 60.972 0.038 1 85 . 19 CYS HA H 4.560 0.000 1 86 . 19 CYS CB C 29.201 0.000 1 87 . 19 CYS HB2 H 2.900 0.000 1 88 . 19 CYS HB3 H 2.900 0.000 1 89 . 19 CYS C C 173.360 0.000 1 90 . 20 LEU N N 122.751 0.000 1 91 . 20 LEU H H 9.548 0.000 1 92 . 20 LEU CA C 54.710 0.000 1 93 . 20 LEU HA H 5.590 0.000 1 94 . 20 LEU CB C 44.875 0.000 1 95 . 20 LEU HB2 H 2.260 0.000 2 96 . 20 LEU HB3 H 1.400 0.000 2 97 . 20 LEU CG C 27.030 0.000 1 98 . 20 LEU HG H 1.850 0.000 1 99 . 20 LEU HD1 H 1.020 0.000 2 100 . 20 LEU HD2 H 0.860 0.000 2 101 . 20 LEU CD1 C 28.680 0.000 1 102 . 20 LEU CD2 C 26.490 0.000 1 103 . 20 LEU C C 175.100 0.000 1 104 . 21 LEU N N 124.427 0.000 1 105 . 21 LEU H H 9.360 0.000 1 106 . 21 LEU CA C 52.712 0.000 1 107 . 21 LEU HA H 5.130 0.000 1 108 . 21 LEU CB C 47.949 0.000 1 109 . 21 LEU HB2 H 2.260 0.000 2 110 . 21 LEU HB3 H 1.390 0.000 2 111 . 21 LEU CG C 28.680 0.000 1 112 . 21 LEU HG H 0.940 0.000 1 113 . 21 LEU HD1 H 1.120 0.000 2 114 . 21 LEU HD2 H 1.910 0.000 2 115 . 21 LEU CD1 C 25.390 0.000 1 116 . 21 LEU CD2 C 28.130 0.000 1 117 . 21 LEU C C 174.080 0.000 1 118 . 22 LYS N N 129.408 0.000 1 119 . 22 LYS H H 9.785 0.000 1 120 . 22 LYS CA C 54.556 0.000 1 121 . 22 LYS HA H 5.400 0.000 1 122 . 22 LYS CB C 36.340 0.000 1 123 . 22 LYS HB2 H 1.560 0.000 2 124 . 22 LYS HB3 H 1.940 0.000 2 125 . 22 LYS CG C 25.390 0.000 1 126 . 22 LYS HG2 H 1.420 0.000 1 127 . 22 LYS HG3 H 1.420 0.000 1 128 . 22 LYS CD C 30.320 0.000 1 129 . 22 LYS HD2 H 1.520 0.000 1 130 . 22 LYS HD3 H 1.520 0.000 1 131 . 22 LYS CE C 42.350 0.000 1 132 . 22 LYS HE2 H 2.680 0.000 2 133 . 22 LYS HE3 H 2.740 0.000 2 134 . 22 LYS C C 174.610 0.000 1 135 . 23 PHE N N 122.765 0.000 1 136 . 23 PHE H H 8.403 0.000 1 137 . 23 PHE CA C 53.634 0.000 1 138 . 23 PHE HA H 5.580 0.000 1 139 . 23 PHE CB C 42.340 0.000 1 140 . 23 PHE HB2 H 2.520 0.000 2 141 . 23 PHE HB3 H 1.690 0.000 2 142 . 23 PHE HD1 H 6.580 0.000 1 143 . 23 PHE HE1 H 6.480 0.000 1 144 . 23 PHE HZ H 6.140 0.000 1 145 . 23 PHE HE2 H 6.480 0.000 1 146 . 23 PHE HD2 H 6.580 0.000 1 147 . 23 PHE C C 173.760 0.000 1 148 . 24 SER N N 109.909 0.000 1 149 . 24 SER H H 7.858 0.000 1 150 . 24 SER CA C 57.399 0.000 1 151 . 24 SER HA H 5.140 0.000 1 152 . 24 SER CB C 66.043 0.038 1 153 . 24 SER HB2 H 3.940 0.000 1 154 . 24 SER HB3 H 3.940 0.000 1 155 . 24 SER C C 172.310 0.000 1 156 . 25 GLY N N 106.659 0.000 1 157 . 25 GLY H H 8.262 0.000 1 158 . 25 GLY CA C 44.952 0.000 1 159 . 25 GLY HA2 H 3.980 0.000 2 160 . 25 GLY HA3 H 4.330 0.000 2 161 . 25 GLY C C 172.480 0.000 1 162 . 26 ASP N N 124.158 0.000 1 163 . 26 ASP H H 9.290 0.000 1 164 . 26 ASP CA C 52.444 0.038 1 165 . 26 ASP HA H 4.980 0.000 1 166 . 26 ASP CB C 38.268 0.000 1 167 . 26 ASP HB2 H 2.840 0.000 2 168 . 26 ASP HB3 H 2.520 0.000 2 169 . 26 ASP C C 176.380 0.000 1 170 . 27 LEU N N 116.158 0.000 1 171 . 27 LEU H H 7.385 0.000 1 172 . 27 LEU CA C 55.133 0.038 1 173 . 27 LEU HA H 3.990 0.000 1 174 . 27 LEU CB C 40.304 0.038 1 175 . 27 LEU HB2 H 1.890 0.000 2 176 . 27 LEU HB3 H 1.480 0.000 2 177 . 27 LEU CG C 25.030 0.000 1 178 . 27 LEU HG H 1.770 0.000 1 179 . 27 LEU HD1 H 0.600 0.000 2 180 . 27 LEU HD2 H 0.970 0.000 2 181 . 27 LEU CD1 C 20.660 0.000 1 182 . 27 LEU CD2 C 24.490 0.000 1 183 . 27 LEU C C 177.930 0.000 1 184 . 28 ASP N N 122.793 0.000 1 185 . 28 ASP H H 9.000 0.000 1 186 . 28 ASP CA C 54.480 0.000 1 187 . 28 ASP HA H 4.550 0.000 1 188 . 28 ASP CB C 43.723 0.000 1 189 . 28 ASP HB2 H 2.520 0.000 1 190 . 28 ASP HB3 H 2.520 0.000 1 191 . 28 ASP C C 179.020 0.000 1 192 . 29 ASP N N 129.020 0.000 1 193 . 29 ASP H H 9.330 0.000 1 194 . 29 ASP CA C 57.557 0.000 1 195 . 29 ASP HA H 4.500 0.000 1 196 . 29 ASP CB C 40.520 0.000 1 197 . 29 ASP HB2 H 2.780 0.000 2 198 . 29 ASP HB3 H 2.820 0.000 2 199 . 29 ASP C C 177.230 0.000 1 200 . 30 GLN N N 118.260 0.000 1 201 . 30 GLN H H 9.360 0.000 1 202 . 30 GLN CA C 55.560 0.000 1 203 . 30 GLN HA H 4.340 0.000 1 204 . 30 GLN CB C 28.920 0.000 1 205 . 30 GLN HB2 H 1.870 0.000 2 206 . 30 GLN HB3 H 2.280 0.000 2 207 . 30 GLN CG C 34.700 0.000 1 208 . 30 GLN HG2 H 2.360 0.000 2 209 . 30 GLN HG3 H 2.480 0.000 2 210 . 30 GLN C C 175.740 0.000 1 211 . 31 THR N N 116.510 0.000 1 212 . 31 THR H H 7.880 0.000 1 213 . 31 THR CA C 65.400 0.000 1 214 . 31 THR HA H 4.210 0.000 1 215 . 31 THR CB C 69.100 0.000 1 216 . 31 THR HB H 4.310 0.000 1 217 . 31 THR HG2 H 1.080 0.000 1 218 . 31 THR CG2 C 21.570 0.000 1 219 . 32 CYS CA C 55.400 0.000 1 220 . 32 CYS CB C 32.690 0.000 1 221 . 32 CYS C C 174.700 0.000 1 222 . 33 ARG N N 120.510 0.000 1 223 . 33 ARG H H 9.300 0.000 1 224 . 33 ARG CA C 60.920 0.000 1 225 . 33 ARG CB C 30.170 0.000 1 226 . 33 ARG C C 178.230 0.000 1 227 . 34 GLU N N 118.000 0.000 1 228 . 34 GLU H H 7.650 0.000 1 229 . 34 GLU CA C 60.920 0.000 1 230 . 34 GLU HA H 4.670 0.000 1 231 . 34 GLU CB C 28.880 0.000 1 232 . 34 GLU HB2 H 2.030 0.000 1 233 . 34 GLU HB3 H 2.030 0.000 1 234 . 34 GLU CG C 34.690 0.000 1 235 . 34 GLU HG2 H 2.030 0.000 2 236 . 34 GLU HG3 H 2.330 0.000 2 237 . 34 GLU C C 178.100 0.000 1 238 . 35 ASP N N 117.908 0.000 1 239 . 35 ASP H H 7.680 0.000 1 240 . 35 ASP CA C 57.668 0.038 1 241 . 35 ASP HA H 4.350 0.000 1 242 . 35 ASP CB C 41.380 0.038 1 243 . 35 ASP HB2 H 3.100 0.000 2 244 . 35 ASP HB3 H 2.580 0.000 2 245 . 35 ASP C C 179.110 0.000 1 246 . 36 LEU N N 120.408 0.000 1 247 . 36 LEU H H 7.383 0.000 1 248 . 36 LEU CA C 56.400 0.000 1 249 . 36 LEU HA H 4.090 0.000 1 250 . 36 LEU CB C 40.458 0.038 1 251 . 36 LEU HB2 H 2.120 0.000 1 252 . 36 LEU HB3 H 2.120 0.000 1 253 . 36 LEU CG C 29.220 0.000 1 254 . 36 LEU HG H 1.340 0.000 1 255 . 36 LEU HD1 H 0.430 0.000 2 256 . 36 LEU HD2 H 0.390 0.000 2 257 . 36 LEU CD1 C 24.300 0.000 1 258 . 36 LEU CD2 C 24.300 0.000 1 259 . 36 LEU C C 178.340 0.000 1 260 . 37 HIS N N 118.658 0.000 1 261 . 37 HIS H H 7.650 0.000 1 262 . 37 HIS CA C 60.473 0.000 1 263 . 37 HIS HA H 4.110 0.000 1 264 . 37 HIS CB C 30.316 0.038 1 265 . 37 HIS HB2 H 3.180 0.000 1 266 . 37 HIS HB3 H 3.180 0.000 1 267 . 37 HIS C C 178.900 0.000 1 268 . 38 ILE N N 119.158 0.000 1 269 . 38 ILE H H 8.260 0.000 1 270 . 38 ILE CA C 64.660 0.038 1 271 . 38 ILE HA H 3.810 0.000 1 272 . 38 ILE CB C 38.345 0.000 1 273 . 38 ILE HB H 1.860 0.000 1 274 . 38 ILE HG2 H 0.940 0.000 1 275 . 38 ILE CG2 C 13.910 0.000 1 276 . 38 ILE CG1 C 29.220 0.000 1 277 . 38 ILE HG12 H 1.780 0.000 2 278 . 38 ILE HG13 H 1.210 0.000 2 279 . 38 ILE HD1 H 0.890 0.000 1 280 . 38 ILE CD1 C 13.360 0.000 1 281 . 38 ILE C C 178.800 0.000 1 282 . 39 LEU N N 120.661 0.000 1 283 . 39 LEU H H 7.546 0.000 1 284 . 39 LEU CA C 57.476 0.000 1 285 . 39 LEU HA H 4.010 0.000 1 286 . 39 LEU CB C 43.454 0.038 1 287 . 39 LEU HB2 H 1.560 0.000 2 288 . 39 LEU HB3 H 1.420 0.000 2 289 . 39 LEU CG C 24.000 0.000 1 290 . 39 LEU HG H 0.830 0.000 1 291 . 39 LEU HD1 H 0.600 0.000 2 292 . 39 LEU HD2 H 0.910 0.000 2 293 . 39 LEU CD1 C 25.400 0.000 1 294 . 39 LEU CD2 C 25.400 0.000 1 295 . 39 LEU C C 178.400 0.000 1 296 . 40 PHE N N 109.659 0.000 1 297 . 40 PHE H H 7.690 0.000 1 298 . 40 PHE CA C 60.626 0.000 1 299 . 40 PHE HA H 4.560 0.000 1 300 . 40 PHE CB C 40.265 0.077 1 301 . 40 PHE HB2 H 3.500 0.000 2 302 . 40 PHE HB3 H 2.860 0.000 2 303 . 40 PHE HD1 H 7.240 0.000 1 304 . 40 PHE HE1 H 6.790 0.000 1 305 . 40 PHE HZ H 6.000 0.000 1 306 . 40 PHE HE2 H 6.790 0.000 1 307 . 40 PHE HD2 H 7.240 0.000 1 308 . 40 PHE C C 176.130 0.000 1 309 . 41 SER N N 117.408 0.000 1 310 . 41 SER H H 7.914 0.000 1 311 . 41 SER CA C 56.800 0.000 1 312 . 41 SER HA H 4.290 0.000 1 313 . 41 SER CB C 62.620 0.000 1 314 . 41 SER HB2 H 4.000 0.000 1 315 . 41 SER HB3 H 4.000 0.000 1 316 . 41 SER C C 175.470 0.000 1 317 . 42 ASN N N 117.408 0.000 1 318 . 42 ASN H H 8.650 0.000 1 319 . 42 ASN CA C 54.979 0.038 1 320 . 42 ASN HA H 4.490 0.000 1 321 . 42 ASN CB C 38.037 0.000 1 322 . 42 ASN HB2 H 2.570 0.000 2 323 . 42 ASN HB3 H 2.290 0.000 2 324 . 42 ASN C C 174.800 0.000 1 325 . 43 HIS N N 119.158 0.000 1 326 . 43 HIS H H 8.229 0.000 1 327 . 43 HIS CA C 56.516 0.038 1 328 . 43 HIS HA H 4.860 0.000 1 329 . 43 HIS CB C 33.005 0.038 1 330 . 43 HIS HB2 H 3.430 0.000 2 331 . 43 HIS HB3 H 2.910 0.000 2 332 . 43 HIS C C 174.730 0.000 1 333 . 44 GLY N N 104.739 0.000 1 334 . 44 GLY H H 8.103 0.000 1 335 . 44 GLY CA C 45.140 0.038 1 336 . 44 GLY HA2 H 3.690 0.000 2 337 . 44 GLY HA3 H 4.250 0.000 2 338 . 44 GLY C C 170.900 0.000 1 339 . 45 GLU N N 123.658 0.000 1 340 . 45 GLU H H 9.692 0.000 1 341 . 45 GLU CA C 55.363 0.038 1 342 . 45 GLU HA H 4.690 0.000 1 343 . 45 GLU CB C 31.122 0.000 1 344 . 45 GLU HB2 H 2.070 0.000 1 345 . 45 GLU HB3 H 2.070 0.000 1 346 . 45 GLU CG C 35.240 0.000 1 347 . 45 GLU HG2 H 2.350 0.000 1 348 . 45 GLU HG3 H 2.350 0.000 1 349 . 45 GLU C C 175.180 0.000 1 350 . 46 ILE N N 128.027 0.000 1 351 . 46 ILE H H 8.985 0.000 1 352 . 46 ILE CA C 63.239 0.000 1 353 . 46 ILE HA H 3.550 0.000 1 354 . 46 ILE CB C 38.421 0.000 1 355 . 46 ILE HB H 1.530 0.000 1 356 . 46 ILE HG2 H 0.414 0.000 1 357 . 46 ILE CG2 C 17.190 0.000 1 358 . 46 ILE CG1 C 28.680 0.000 1 359 . 46 ILE HG12 H 0.010 0.000 1 360 . 46 ILE HG13 H 0.010 0.000 1 361 . 46 ILE HD1 H 0.414 0.000 1 362 . 46 ILE CD1 C 13.300 0.000 1 363 . 46 ILE C C 176.630 0.000 1 364 . 47 LYS N N 127.658 0.000 1 365 . 47 LYS H H 9.427 0.000 1 366 . 47 LYS CA C 55.594 0.038 1 367 . 47 LYS HA H 4.580 0.000 1 368 . 47 LYS CB C 33.312 0.038 1 369 . 47 LYS HB2 H 1.470 0.000 2 370 . 47 LYS HB3 H 1.860 0.000 2 371 . 47 LYS CG C 23.200 0.000 1 372 . 47 LYS HG2 H 1.480 0.000 1 373 . 47 LYS HG3 H 1.480 0.000 1 374 . 47 LYS CD C 28.130 0.000 1 375 . 47 LYS HD2 H 1.650 0.000 1 376 . 47 LYS HD3 H 1.650 0.000 1 377 . 47 LYS CE C 41.250 0.000 1 378 . 47 LYS HE2 H 3.030 0.000 1 379 . 47 LYS HE3 H 3.030 0.000 1 380 . 47 LYS C C 176.580 0.000 1 381 . 48 TRP N N 119.658 0.000 1 382 . 48 TRP H H 8.006 0.003 1 383 . 48 TRP CA C 57.668 0.038 1 384 . 48 TRP HA H 4.650 0.000 1 385 . 48 TRP CB C 33.235 0.038 1 386 . 48 TRP HB2 H 2.770 0.000 2 387 . 48 TRP HB3 H 3.360 0.000 2 388 . 48 TRP NE1 N 131.480 0.000 1 389 . 48 TRP HD1 H 7.490 0.000 1 390 . 48 TRP HE3 H 7.520 0.000 1 391 . 48 TRP HE1 H 11.150 0.000 1 392 . 48 TRP HZ3 H 7.230 0.000 1 393 . 48 TRP HZ2 H 6.740 0.000 1 394 . 48 TRP HH2 H 7.130 0.000 1 395 . 48 TRP C C 172.860 0.000 1 396 . 49 ILE N N 124.658 0.000 1 397 . 49 ILE H H 7.450 0.000 1 398 . 49 ILE CA C 60.626 0.000 1 399 . 49 ILE HA H 4.600 0.000 1 400 . 49 ILE CB C 41.187 0.000 1 401 . 49 ILE HB H 1.420 0.000 1 402 . 49 ILE HG2 H 0.820 0.000 1 403 . 49 ILE CG2 C 17.740 0.000 1 404 . 49 ILE CG1 C 28.130 0.000 1 405 . 49 ILE HG12 H 1.450 0.000 1 406 . 49 ILE HG13 H 1.450 0.000 1 407 . 49 ILE HD1 H 0.690 0.000 1 408 . 49 ILE CD1 C 15.000 0.000 1 409 . 49 ILE C C 173.410 0.000 1 410 . 50 ASP N N 128.908 0.000 1 411 . 50 ASP H H 9.555 0.000 1 412 . 50 ASP CA C 52.520 0.038 1 413 . 50 ASP HA H 4.850 0.000 1 414 . 50 ASP CB C 41.956 0.000 1 415 . 50 ASP HB2 H 3.100 0.000 2 416 . 50 ASP HB3 H 2.440 0.000 2 417 . 50 ASP C C 174.110 0.000 1 418 . 51 PHE N N 122.158 0.000 1 419 . 51 PHE H H 7.645 0.000 1 420 . 51 PHE CA C 58.782 0.000 1 421 . 51 PHE HA H 4.890 0.000 1 422 . 51 PHE CB C 42.225 0.038 1 423 . 51 PHE HB2 H 3.380 0.000 2 424 . 51 PHE HB3 H 2.350 0.000 2 425 . 51 PHE HD1 H 7.070 0.000 3 426 . 51 PHE HE1 H 7.030 0.000 3 427 . 51 PHE HZ H 7.170 0.000 1 428 . 51 PHE C C 172.750 0.000 1 429 . 52 VAL N N 128.158 0.000 1 430 . 52 VAL H H 7.113 0.000 1 431 . 52 VAL CA C 60.050 0.038 1 432 . 52 VAL HA H 4.030 0.000 1 433 . 52 VAL CB C 34.080 0.038 1 434 . 52 VAL HB H 1.770 0.000 1 435 . 52 VAL HG1 H 0.880 0.000 1 436 . 52 VAL HG2 H 0.830 0.000 1 437 . 52 VAL CG1 C 20.470 0.000 1 438 . 52 VAL CG2 C 20.470 0.000 1 439 . 52 VAL C C 172.600 0.000 1 440 . 53 ARG N N 123.658 0.000 1 441 . 53 ARG H H 8.014 0.000 1 442 . 53 ARG CA C 58.206 0.038 1 443 . 53 ARG HA H 3.940 0.000 1 444 . 53 ARG CB C 29.970 0.000 1 445 . 53 ARG HB2 H 1.830 0.000 1 446 . 53 ARG HB3 H 1.830 0.000 1 447 . 53 ARG CG C 27.600 0.000 1 448 . 53 ARG HG2 H 1.680 0.000 1 449 . 53 ARG HG3 H 1.680 0.000 1 450 . 53 ARG CD C 43.990 0.000 1 451 . 53 ARG HD2 H 3.270 0.000 1 452 . 53 ARG HD3 H 3.270 0.000 1 453 . 53 ARG C C 177.460 0.000 1 454 . 54 GLY N N 115.814 0.000 1 455 . 54 GLY H H 8.963 0.000 1 456 . 54 GLY CA C 45.336 0.000 1 457 . 54 GLY HA2 H 3.680 0.000 2 458 . 54 GLY HA3 H 4.350 0.000 2 459 . 54 GLY C C 174.600 0.000 1 460 . 55 ALA N N 123.150 0.000 1 461 . 55 ALA H H 8.091 0.000 1 462 . 55 ALA CA C 51.860 0.000 1 463 . 55 ALA HA H 4.460 0.000 1 464 . 55 ALA HB H 1.570 0.000 1 465 . 55 ALA CB C 20.673 0.000 1 466 . 55 ALA C C 177.230 0.000 1 467 . 56 LYS N N 115.658 0.000 1 468 . 56 LYS H H 8.710 0.000 1 469 . 56 LYS CA C 54.441 0.038 1 470 . 56 LYS HA H 4.690 0.000 1 471 . 56 LYS CB C 31.430 0.000 1 472 . 56 LYS HB2 H 1.890 0.000 1 473 . 56 LYS HB3 H 1.890 0.000 1 474 . 56 LYS CG C 24.850 0.000 1 475 . 56 LYS HG2 H 1.690 0.000 1 476 . 56 LYS HG3 H 1.690 0.000 1 477 . 56 LYS CD C 31.410 0.000 1 478 . 56 LYS HD2 H 2.830 0.000 1 479 . 56 LYS HD3 H 2.830 0.000 1 480 . 56 LYS CE C 43.440 0.000 1 481 . 56 LYS HE2 H 3.160 0.000 1 482 . 56 LYS HE3 H 3.160 0.000 1 483 . 56 LYS C C 175.010 0.000 1 484 . 57 GLU N N 113.658 0.000 1 485 . 57 GLU H H 7.543 0.000 1 486 . 57 GLU CA C 53.942 0.000 1 487 . 57 GLU HA H 5.130 0.000 1 488 . 57 GLU CB C 33.197 0.000 1 489 . 57 GLU HB2 H 2.100 0.000 2 490 . 57 GLU HB3 H 1.860 0.000 2 491 . 57 GLU CG C 34.900 0.000 1 492 . 57 GLU HG2 H 1.830 0.000 1 493 . 57 GLU HG3 H 1.830 0.000 1 494 . 57 GLU C C 173.520 0.000 1 495 . 58 GLY N N 106.841 0.000 1 496 . 58 GLY H H 7.636 0.000 1 497 . 58 GLY CA C 45.759 0.038 1 498 . 58 GLY HA2 H 3.450 0.000 2 499 . 58 GLY HA3 H 4.450 0.000 2 500 . 58 GLY C C 170.500 0.000 1 501 . 59 ILE N N 116.908 0.000 1 502 . 59 ILE H H 8.414 0.003 1 503 . 59 ILE CA C 60.050 0.038 1 504 . 59 ILE HA H 5.090 0.000 1 505 . 59 ILE CB C 42.916 0.038 1 506 . 59 ILE HB H 1.780 0.000 1 507 . 59 ILE HG2 H 0.850 0.000 1 508 . 59 ILE CG2 C 20.500 0.000 1 509 . 59 ILE CG1 C 28.130 0.000 1 510 . 59 ILE HG12 H 0.960 0.000 2 511 . 59 ILE HG13 H 1.690 0.000 2 512 . 59 ILE HD1 H 0.900 0.000 1 513 . 59 ILE CD1 C 13.900 0.000 1 514 . 59 ILE C C 174.180 0.000 1 515 . 60 ILE N N 126.658 0.000 1 516 . 60 ILE H H 9.658 0.000 1 517 . 60 ILE CA C 60.558 0.038 1 518 . 60 ILE HA H 4.380 0.000 1 519 . 60 ILE CB C 41.725 0.000 1 520 . 60 ILE HB H 1.560 0.000 1 521 . 60 ILE HG2 H -0.140 0.000 1 522 . 60 ILE CG2 C 18.830 0.000 1 523 . 60 ILE CG1 C 28.130 0.000 1 524 . 60 ILE HG12 H 0.750 0.000 1 525 . 60 ILE HG13 H 0.750 0.000 1 526 . 60 ILE HD1 H 0.680 0.000 1 527 . 60 ILE CD1 C 15.000 0.000 1 528 . 60 ILE C C 173.560 0.000 1 529 . 61 LEU N N 126.907 0.000 1 530 . 61 LEU H H 8.913 0.000 1 531 . 61 LEU CA C 53.519 0.038 1 532 . 61 LEU HA H 5.200 0.000 1 533 . 61 LEU CB C 44.568 0.000 1 534 . 61 LEU HB2 H 2.070 0.000 2 535 . 61 LEU HB3 H 1.180 0.000 2 536 . 61 LEU CG C 27.580 0.000 1 537 . 61 LEU HG H 1.420 0.000 1 538 . 61 LEU HD1 H 0.970 0.000 2 539 . 61 LEU HD2 H 0.780 0.000 2 540 . 61 LEU CD1 C 24.300 0.000 1 541 . 61 LEU CD2 C 26.490 0.000 1 542 . 61 LEU C C 175.680 0.000 1 543 . 62 PHE N N 127.908 0.000 1 544 . 62 PHE H H 9.375 0.000 1 545 . 62 PHE CA C 57.976 0.038 1 546 . 62 PHE HA H 5.170 0.000 1 547 . 62 PHE CB C 41.917 0.038 1 548 . 62 PHE HB2 H 2.950 0.000 2 549 . 62 PHE HB3 H 3.340 0.000 2 550 . 62 PHE HD1 H 6.970 0.000 1 551 . 62 PHE HE1 H 6.670 0.000 1 552 . 62 PHE HZ H 6.710 0.000 1 553 . 62 PHE HE2 H 6.670 0.000 1 554 . 62 PHE HD2 H 6.970 0.000 1 555 . 62 PHE C C 175.600 0.000 1 556 . 63 LYS N N 119.658 0.000 1 557 . 63 LYS H H 8.797 0.000 1 558 . 63 LYS CA C 59.282 0.038 1 559 . 63 LYS HA H 4.020 0.000 1 560 . 63 LYS CB C 34.272 0.000 1 561 . 63 LYS HB2 H 1.750 0.000 1 562 . 63 LYS HB3 H 1.750 0.000 1 563 . 63 LYS CG C 25.900 0.000 1 564 . 63 LYS HG2 H 1.420 0.000 1 565 . 63 LYS HG3 H 1.420 0.000 1 566 . 63 LYS CD C 29.770 0.000 1 567 . 63 LYS HD2 H 1.710 0.000 1 568 . 63 LYS HD3 H 1.710 0.000 1 569 . 63 LYS CE C 42.350 0.000 1 570 . 63 LYS HE2 H 3.010 0.000 1 571 . 63 LYS HE3 H 3.010 0.000 1 572 . 63 LYS C C 176.370 0.000 1 573 . 64 GLU N N 114.408 0.000 1 574 . 64 GLU H H 8.214 0.000 1 575 . 64 GLU CA C 55.094 0.000 1 576 . 64 GLU HA H 4.650 0.000 1 577 . 64 GLU CB C 30.661 0.000 1 578 . 64 GLU HB2 H 1.950 0.000 2 579 . 64 GLU HB3 H 2.270 0.000 2 580 . 64 GLU CG C 29.200 0.000 1 581 . 64 GLU HG2 H 2.150 0.000 1 582 . 64 GLU HG3 H 2.150 0.000 1 583 . 64 GLU C C 174.070 0.000 1 584 . 65 LYS N N 113.434 0.025 1 585 . 65 LYS H H 8.095 0.001 1 586 . 65 LYS CA C 56.746 0.038 1 587 . 65 LYS HA H 4.080 0.000 1 588 . 65 LYS CB C 31.810 0.000 1 589 . 65 LYS HB2 H 2.050 0.000 2 590 . 65 LYS HB3 H 1.810 0.000 2 591 . 65 LYS CG C 25.400 0.000 1 592 . 65 LYS HG2 H 1.560 0.000 1 593 . 65 LYS HG3 H 1.560 0.000 1 594 . 65 LYS CD C 29.220 0.000 1 595 . 65 LYS HD2 H 1.780 0.000 1 596 . 65 LYS HD3 H 1.780 0.000 1 597 . 65 LYS CE C 42.890 0.000 1 598 . 65 LYS HE2 H 3.060 0.000 1 599 . 65 LYS HE3 H 3.060 0.000 1 600 . 65 LYS C C 178.550 0.000 1 601 . 66 ALA N N 125.851 0.000 1 602 . 66 ALA H H 9.283 0.000 1 603 . 66 ALA CA C 54.710 0.000 1 604 . 66 ALA HA H 3.540 0.000 1 605 . 66 ALA HB H 1.360 0.000 1 606 . 66 ALA CB C 19.444 0.000 1 607 . 66 ALA C C 178.800 0.000 1 608 . 67 LYS N N 115.658 0.000 1 609 . 67 LYS H H 9.176 0.000 1 610 . 67 LYS CA C 59.666 0.038 1 611 . 67 LYS HA H 3.810 0.000 1 612 . 67 LYS CB C 32.313 0.038 1 613 . 67 LYS HB2 H 1.920 0.000 1 614 . 67 LYS HB3 H 1.920 0.000 1 615 . 67 LYS CG C 26.500 0.000 1 616 . 67 LYS HG2 H 1.650 0.000 2 617 . 67 LYS HG3 H 1.460 0.000 2 618 . 67 LYS CD C 28.680 0.000 1 619 . 67 LYS HD2 H 1.720 0.000 1 620 . 67 LYS HD3 H 1.720 0.000 1 621 . 67 LYS CE C 43.440 0.000 1 622 . 67 LYS HE2 H 3.260 0.000 1 623 . 67 LYS HE3 H 3.260 0.000 1 624 . 67 LYS C C 179.100 0.000 1 625 . 68 GLU N N 119.908 0.000 1 626 . 68 GLU H H 7.305 0.000 1 627 . 68 GLU CA C 58.705 0.077 1 628 . 68 GLU HA H 4.090 0.000 1 629 . 68 GLU CB C 29.355 0.000 1 630 . 68 GLU HB2 H 2.080 0.000 1 631 . 68 GLU HB3 H 2.080 0.000 1 632 . 68 GLU CG C 37.430 0.000 1 633 . 68 GLU HG2 H 2.280 0.000 1 634 . 68 GLU HG3 H 2.280 0.000 1 635 . 68 GLU C C 178.120 0.000 1 636 . 69 ALA N N 122.908 0.000 1 637 . 69 ALA H H 7.097 0.000 1 638 . 69 ALA CA C 55.017 0.077 1 639 . 69 ALA HA H 4.030 0.000 1 640 . 69 ALA HB H 0.500 0.000 1 641 . 69 ALA CB C 17.484 0.038 1 642 . 69 ALA C C 179.100 0.000 1 643 . 70 LEU N N 116.158 0.000 1 644 . 70 LEU H H 8.201 0.000 1 645 . 70 LEU CA C 57.860 0.000 1 646 . 70 LEU HA H 3.810 0.000 1 647 . 70 LEU CB C 41.917 0.038 1 648 . 70 LEU HB2 H 1.770 0.000 1 649 . 70 LEU HB3 H 1.770 0.000 1 650 . 70 LEU CG C 25.030 0.000 1 651 . 70 LEU HG H 1.340 0.000 1 652 . 70 LEU HD1 H 0.880 0.000 2 653 . 70 LEU HD2 H 0.470 0.000 2 654 . 70 LEU CD1 C 23.940 0.000 1 655 . 70 LEU CD2 C 19.110 0.000 1 656 . 70 LEU C C 178.020 0.000 1 657 . 71 GLY N N 104.909 0.000 1 658 . 71 GLY H H 7.874 0.000 1 659 . 71 GLY CA C 47.334 0.000 1 660 . 71 GLY HA2 H 3.610 0.000 2 661 . 71 GLY HA3 H 3.850 0.000 2 662 . 71 GLY C C 176.700 0.000 1 663 . 72 LYS N N 121.158 0.000 1 664 . 72 LYS H H 7.987 0.000 1 665 . 72 LYS CA C 59.666 0.038 1 666 . 72 LYS HA H 3.550 0.000 1 667 . 72 LYS CB C 32.659 0.077 1 668 . 72 LYS HB2 H 1.700 0.000 2 669 . 72 LYS HB3 H 1.260 0.000 2 670 . 72 LYS CG C 28.130 0.000 1 671 . 72 LYS HG2 H 1.530 0.000 1 672 . 72 LYS HG3 H 1.530 0.000 1 673 . 72 LYS C C 179.240 0.000 1 674 . 73 ALA N N 122.158 0.000 1 675 . 73 ALA H H 7.955 0.000 1 676 . 73 ALA CA C 54.672 0.038 1 677 . 73 ALA HA H 2.820 0.000 1 678 . 73 ALA HB H 0.890 0.000 1 679 . 73 ALA CB C 19.213 0.000 1 680 . 73 ALA C C 180.200 0.000 1 681 . 74 LYS N N 119.658 0.000 1 682 . 74 LYS H H 8.716 0.001 1 683 . 74 LYS CA C 61.279 0.038 1 684 . 74 LYS HA H 3.500 0.000 1 685 . 74 LYS CB C 32.428 0.000 1 686 . 74 LYS HB2 H 1.800 0.000 2 687 . 74 LYS HB3 H 1.720 0.000 2 688 . 74 LYS CG C 27.030 0.000 1 689 . 74 LYS HG2 H 1.120 0.000 2 690 . 74 LYS HG3 H 1.390 0.000 2 691 . 74 LYS CD C 30.320 0.000 1 692 . 74 LYS HD2 H 1.620 0.000 1 693 . 74 LYS HD3 H 1.620 0.000 1 694 . 74 LYS CE C 41.800 0.000 1 695 . 74 LYS HE2 H 2.830 0.000 2 696 . 74 LYS HE3 H 2.980 0.000 2 697 . 74 LYS C C 179.700 0.000 1 698 . 75 ASP N N 120.908 0.000 1 699 . 75 ASP H H 8.181 0.000 1 700 . 75 ASP CA C 57.246 0.000 1 701 . 75 ASP HA H 4.300 0.000 1 702 . 75 ASP CB C 40.227 0.038 1 703 . 75 ASP HB2 H 2.620 0.000 2 704 . 75 ASP HB3 H 2.720 0.000 2 705 . 75 ASP C C 179.060 0.000 1 706 . 76 ALA N N 120.908 0.000 1 707 . 76 ALA H H 7.612 0.000 1 708 . 76 ALA CA C 53.596 0.038 1 709 . 76 ALA HA H 4.280 0.000 1 710 . 76 ALA HB H 1.400 0.000 1 711 . 76 ALA CB C 19.444 0.000 1 712 . 76 ALA C C 177.490 0.000 1 713 . 77 ASN N N 116.658 0.000 1 714 . 77 ASN H H 7.437 0.001 1 715 . 77 ASN CA C 53.097 0.000 1 716 . 77 ASN HA H 4.890 0.000 1 717 . 77 ASN CB C 39.997 0.038 1 718 . 77 ASN HB2 H 2.260 0.000 2 719 . 77 ASN HB3 H 3.110 0.000 2 720 . 77 ASN C C 174.400 0.000 1 721 . 78 ASN N N 115.908 0.000 1 722 . 78 ASN H H 8.167 0.000 1 723 . 78 ASN CA C 54.633 0.000 1 724 . 78 ASN HA H 4.500 0.000 1 725 . 78 ASN CB C 37.423 0.000 1 726 . 78 ASN HB2 H 2.790 0.000 2 727 . 78 ASN HB3 H 3.110 0.000 2 728 . 78 ASN C C 175.070 0.000 1 729 . 79 GLY N N 103.909 0.000 1 730 . 79 GLY H H 8.581 0.000 1 731 . 79 GLY CA C 45.644 0.000 1 732 . 79 GLY HA2 H 3.510 0.000 2 733 . 79 GLY HA3 H 4.250 0.000 2 734 . 79 GLY C C 178.400 0.000 1 735 . 80 ASN N N 119.908 0.000 1 736 . 80 ASN H H 7.587 0.000 1 737 . 80 ASN CA C 52.175 0.000 1 738 . 80 ASN HA H 4.930 0.000 1 739 . 80 ASN CB C 39.766 0.038 1 740 . 80 ASN HB2 H 2.660 0.000 2 741 . 80 ASN HB3 H 2.900 0.000 2 742 . 80 ASN C C 172.530 0.000 1 743 . 81 LEU N N 125.671 0.000 1 744 . 81 LEU H H 8.793 0.000 1 745 . 81 LEU CA C 53.903 0.038 1 746 . 81 LEU HA H 4.500 0.000 1 747 . 81 LEU CB C 43.492 0.000 1 748 . 81 LEU HB2 H 1.810 0.000 2 749 . 81 LEU HB3 H 0.850 0.000 2 750 . 81 LEU CG C 26.490 0.000 1 751 . 81 LEU HG H 1.110 0.000 1 752 . 81 LEU HD1 H -0.260 0.000 2 753 . 81 LEU HD2 H 0.320 0.000 2 754 . 81 LEU CD1 C 25.390 0.000 1 755 . 81 LEU CD2 C 25.390 0.000 1 756 . 81 LEU C C 175.610 0.000 1 757 . 82 GLN N N 127.109 0.000 1 758 . 82 GLN H H 8.617 0.000 1 759 . 82 GLN CA C 55.517 0.038 1 760 . 82 GLN HA H 4.740 0.000 1 761 . 82 GLN CB C 32.006 0.038 1 762 . 82 GLN HB2 H 1.840 0.000 2 763 . 82 GLN HB3 H 1.940 0.000 2 764 . 82 GLN CG C 29.770 0.000 1 765 . 82 GLN HG2 H 2.090 0.000 2 766 . 82 GLN HG3 H 2.260 0.000 2 767 . 82 GLN C C 174.800 0.000 1 768 . 83 LEU N N 117.908 0.000 1 769 . 83 LEU H H 7.655 0.000 1 770 . 83 LEU CA C 53.173 0.000 1 771 . 83 LEU HA H 4.770 0.000 1 772 . 83 LEU CB C 45.260 0.000 1 773 . 83 LEU HB2 H 1.240 0.000 1 774 . 83 LEU HB3 H 1.240 0.000 1 775 . 83 LEU CG C 27.030 0.000 1 776 . 83 LEU HG H 1.320 0.000 1 777 . 83 LEU HD1 H 0.600 0.000 2 778 . 83 LEU HD2 H 0.560 0.000 2 779 . 83 LEU CD1 C 25.940 0.000 1 780 . 83 LEU CD2 C 25.940 0.000 1 781 . 83 LEU C C 176.760 0.000 1 782 . 84 ARG N N 128.908 0.000 1 783 . 84 ARG H H 9.898 0.000 1 784 . 84 ARG CA C 57.668 0.038 1 785 . 84 ARG HA H 3.780 0.000 1 786 . 84 ARG CB C 28.164 0.038 1 787 . 84 ARG HB2 H 1.480 0.000 2 788 . 84 ARG HB3 H 1.750 0.000 2 789 . 84 ARG CG C 26.490 0.000 1 790 . 84 ARG HG2 H 1.680 0.000 1 791 . 84 ARG HG3 H 1.680 0.000 1 792 . 84 ARG CD C 43.990 0.000 1 793 . 84 ARG HD2 H 3.030 0.000 1 794 . 84 ARG HD3 H 3.030 0.000 1 795 . 84 ARG C C 174.640 0.000 1 796 . 85 ASN N N 107.659 0.000 1 797 . 85 ASN H H 8.805 0.000 1 798 . 85 ASN CA C 55.017 0.000 1 799 . 85 ASN HA H 4.130 0.000 1 800 . 85 ASN CB C 37.615 0.038 1 801 . 85 ASN HB2 H 2.940 0.000 2 802 . 85 ASN HB3 H 3.080 0.000 2 803 . 85 ASN C C 173.500 0.000 1 804 . 86 LYS N N 117.408 0.000 1 805 . 86 LYS H H 7.636 0.000 1 806 . 86 LYS CA C 52.828 0.038 1 807 . 86 LYS HA H 4.690 0.000 1 808 . 86 LYS CB C 32.774 0.038 1 809 . 86 LYS HB2 H 1.840 0.000 1 810 . 86 LYS HB3 H 1.840 0.000 1 811 . 86 LYS CG C 25.900 0.000 1 812 . 86 LYS HG2 H 1.570 0.000 1 813 . 86 LYS HG3 H 1.570 0.000 1 814 . 86 LYS CD C 27.590 0.000 1 815 . 86 LYS HD2 H 1.690 0.000 1 816 . 86 LYS HD3 H 1.690 0.000 1 817 . 86 LYS CE C 41.800 0.000 1 818 . 86 LYS HE2 H 2.910 0.000 1 819 . 86 LYS HE3 H 2.910 0.000 1 820 . 86 LYS C C 175.900 0.000 1 821 . 87 GLU N N 120.908 0.000 1 822 . 87 GLU H H 8.366 0.000 1 823 . 87 GLU CA C 56.593 0.038 1 824 . 87 GLU HA H 4.390 0.000 1 825 . 87 GLU CB C 29.701 0.038 1 826 . 87 GLU HB2 H 1.980 0.000 2 827 . 87 GLU HB3 H 1.830 0.000 2 828 . 87 GLU CG C 26.330 0.000 1 829 . 87 GLU HG2 H 2.280 0.000 2 830 . 87 GLU HG3 H 2.350 0.000 2 831 . 87 GLU C C 175.980 0.000 1 832 . 88 VAL N N 124.158 0.000 1 833 . 88 VAL H H 8.524 0.000 1 834 . 88 VAL CA C 60.396 0.000 1 835 . 88 VAL HA H 4.320 0.000 1 836 . 88 VAL CB C 36.116 0.000 1 837 . 88 VAL HB H 1.580 0.000 1 838 . 88 VAL HG1 H 0.500 0.000 1 839 . 88 VAL HG2 H -0.160 0.000 1 840 . 88 VAL CG1 C 21.570 0.000 1 841 . 88 VAL CG2 C 22.110 0.000 1 842 . 88 VAL C C 174.740 0.000 1 843 . 89 THR N N 121.658 0.000 1 844 . 89 THR H H 8.884 0.000 1 845 . 89 THR CA C 62.295 0.055 1 846 . 89 THR HA H 4.410 0.000 1 847 . 89 THR CB C 69.155 0.077 1 848 . 89 THR HB H 4.000 0.000 1 849 . 89 THR HG2 H 1.100 0.000 1 850 . 89 THR CG2 C 21.020 0.000 1 851 . 89 THR C C 173.460 0.000 1 852 . 90 TRP N N 130.658 0.000 1 853 . 90 TRP H H 8.848 0.000 1 854 . 90 TRP CA C 55.248 0.077 1 855 . 90 TRP HA H 5.460 0.000 1 856 . 90 TRP CB C 31.775 0.038 1 857 . 90 TRP HB2 H 3.240 0.000 1 858 . 90 TRP HB3 H 3.240 0.000 1 859 . 90 TRP NE1 N 130.450 0.000 1 860 . 90 TRP HD1 H 7.420 0.000 1 861 . 90 TRP HE1 H 10.000 0.000 1 862 . 90 TRP HZ3 H 6.760 0.000 1 863 . 90 TRP HZ2 H 6.730 0.000 1 864 . 90 TRP HH2 H 6.520 0.000 1 865 . 90 TRP C C 176.140 0.000 1 866 . 91 GLU N N 124.408 0.000 1 867 . 91 GLU H H 9.599 0.000 1 868 . 91 GLU CA C 55.094 0.000 1 869 . 91 GLU HA H 4.760 0.000 1 870 . 91 GLU CB C 34.196 0.000 1 871 . 91 GLU HB2 H 2.080 0.000 2 872 . 91 GLU HB3 H 1.860 0.000 2 873 . 91 GLU CG C 34.700 0.000 1 874 . 91 GLU HG2 H 1.950 0.000 1 875 . 91 GLU HG3 H 1.950 0.000 1 876 . 91 GLU C C 174.490 0.000 1 877 . 92 VAL N N 128.658 0.000 1 878 . 92 VAL H H 9.036 0.000 1 879 . 92 VAL CA C 62.739 0.038 1 880 . 92 VAL HA H 4.570 0.000 1 881 . 92 VAL CB C 31.545 0.038 1 882 . 92 VAL HB H 2.080 0.000 1 883 . 92 VAL HG1 H 1.110 0.000 1 884 . 92 VAL HG2 H 0.880 0.000 1 885 . 92 VAL CG1 C 22.110 0.000 1 886 . 92 VAL CG2 C 21.570 0.000 1 887 . 92 VAL C C 177.040 0.000 1 888 . 93 LEU N N 127.658 0.000 1 889 . 93 LEU H H 7.852 0.000 1 890 . 93 LEU CA C 55.325 0.000 1 891 . 93 LEU HA H 4.500 0.000 1 892 . 93 LEU CB C 42.724 0.077 1 893 . 93 LEU HB2 H 1.850 0.000 2 894 . 93 LEU HB3 H 1.100 0.000 2 895 . 93 LEU CG C 22.110 0.000 1 896 . 93 LEU HG H 1.650 0.000 1 897 . 93 LEU HD1 H 0.860 0.000 2 898 . 93 LEU HD2 H 0.820 0.000 2 899 . 93 LEU CD1 C 22.110 0.000 1 900 . 93 LEU CD2 C 22.110 0.000 1 901 . 93 LEU C C 175.600 0.000 1 902 . 94 GLU N N 116.908 0.000 1 903 . 94 GLU H H 8.421 0.004 1 904 . 94 GLU CA C 54.672 0.038 1 905 . 94 GLU HA H 4.840 0.000 1 906 . 94 GLU CB C 34.157 0.038 1 907 . 94 GLU HB2 H 2.040 0.000 1 908 . 94 GLU HB3 H 2.040 0.000 1 909 . 94 GLU CG C 35.800 0.000 1 910 . 94 GLU HG2 H 2.170 0.000 2 911 . 94 GLU HG3 H 2.350 0.000 2 912 . 94 GLU C C 177.000 0.000 1 913 . 95 GLY N N 108.659 0.000 1 914 . 95 GLY H H 8.826 0.000 1 915 . 95 GLY CA C 46.566 0.000 1 916 . 95 GLY HA2 H 4.080 0.000 2 917 . 95 GLY HA3 H 4.000 0.000 2 918 . 96 GLU CA C 59.243 0.000 1 919 . 96 GLU CB C 29.586 0.000 1 920 . 96 GLU C C 178.660 0.000 1 921 . 97 VAL N N 119.158 0.000 1 922 . 97 VAL H H 8.112 0.000 1 923 . 97 VAL CA C 65.851 0.000 1 924 . 97 VAL HA H 3.840 0.000 1 925 . 97 VAL CB C 31.506 0.000 1 926 . 97 VAL HB H 2.300 0.000 1 927 . 97 VAL HG1 H 1.150 0.000 1 928 . 97 VAL HG2 H 1.080 0.000 1 929 . 97 VAL CG1 C 22.110 0.000 1 930 . 97 VAL CG2 C 22.110 0.000 1 931 . 97 VAL C C 178.960 0.000 1 932 . 98 GLU N N 120.908 0.000 1 933 . 98 GLU H H 7.057 0.000 1 934 . 98 GLU CA C 59.166 0.000 1 935 . 98 GLU HA H 3.760 0.000 1 936 . 98 GLU CB C 29.432 0.077 1 937 . 98 GLU HB2 H 2.250 0.000 1 938 . 98 GLU HB3 H 2.250 0.000 1 939 . 98 GLU CG C 36.880 0.000 1 940 . 98 GLU HG2 H 2.040 0.000 2 941 . 98 GLU HG3 H 2.130 0.000 2 942 . 98 GLU C C 176.500 0.000 1 943 . 99 LYS N N 117.908 0.000 1 944 . 99 LYS H H 7.770 0.000 1 945 . 99 LYS CA C 60.050 0.038 1 946 . 99 LYS HA H 3.840 0.000 1 947 . 99 LYS CB C 32.121 0.000 1 948 . 99 LYS HB2 H 1.920 0.000 2 949 . 99 LYS HB3 H 1.970 0.000 2 950 . 99 LYS CG C 25.400 0.000 1 951 . 99 LYS HG2 H 1.620 0.000 2 952 . 99 LYS HG3 H 1.440 0.000 2 953 . 99 LYS CD C 29.220 0.000 1 954 . 99 LYS HD2 H 1.680 0.000 1 955 . 99 LYS HD3 H 1.680 0.000 1 956 . 99 LYS CE C 42.350 0.000 1 957 . 99 LYS HE2 H 2.950 0.000 1 958 . 99 LYS HE3 H 2.950 0.000 1 959 . 99 LYS C C 179.240 0.000 1 960 . 100 GLU N N 118.158 0.000 1 961 . 100 GLU H H 8.151 0.000 1 962 . 100 GLU CA C 59.013 0.000 1 963 . 100 GLU HA H 4.030 0.000 1 964 . 100 GLU CB C 29.662 0.000 1 965 . 100 GLU HB2 H 2.070 0.000 1 966 . 100 GLU HB3 H 2.070 0.000 1 967 . 100 GLU CG C 36.880 0.000 1 968 . 100 GLU HG2 H 2.380 0.000 2 969 . 100 GLU HG3 H 2.420 0.000 2 970 . 100 GLU C C 172.610 0.000 1 971 . 101 ALA N N 122.908 0.000 1 972 . 101 ALA H H 7.975 0.000 1 973 . 101 ALA CA C 54.787 0.000 1 974 . 101 ALA HA H 4.160 0.000 1 975 . 101 ALA HB H 1.430 0.000 1 976 . 101 ALA CB C 18.983 0.000 1 977 . 101 ALA C C 180.000 0.000 1 978 . 102 LEU N N 118.908 0.000 1 979 . 102 LEU H H 8.647 0.000 1 980 . 102 LEU CA C 57.707 0.000 1 981 . 102 LEU HA H 3.980 0.000 1 982 . 102 LEU CB C 42.186 0.000 1 983 . 102 LEU HB2 H 1.540 0.000 2 984 . 102 LEU HB3 H 1.840 0.000 2 985 . 102 LEU CG C 27.040 0.000 1 986 . 102 LEU HG H 1.680 0.000 1 987 . 102 LEU HD1 H 0.830 0.000 2 988 . 102 LEU HD2 H 0.890 0.000 2 989 . 102 LEU CD1 C 24.850 0.000 1 990 . 102 LEU CD2 C 24.850 0.000 1 991 . 102 LEU C C 178.100 0.000 1 992 . 103 LYS N N 117.908 0.000 1 993 . 103 LYS H H 7.726 0.000 1 994 . 103 LYS CA C 59.820 0.038 1 995 . 103 LYS HA H 3.810 0.000 1 996 . 103 LYS CB C 32.352 0.000 1 997 . 103 LYS HB2 H 1.870 0.000 1 998 . 103 LYS HB3 H 1.870 0.000 1 999 . 103 LYS CG C 25.950 0.000 1 1000 . 103 LYS HG2 H 1.320 0.000 1 1001 . 103 LYS HG3 H 1.320 0.000 1 1002 . 103 LYS CD C 29.300 0.000 1 1003 . 103 LYS HD2 H 1.650 0.000 1 1004 . 103 LYS HD3 H 1.650 0.000 1 1005 . 103 LYS CE C 42.350 0.000 1 1006 . 103 LYS HE2 H 2.920 0.000 1 1007 . 103 LYS HE3 H 2.920 0.000 1 1008 . 103 LYS C C 180.000 0.000 1 1009 . 104 LYS N N 118.658 0.000 1 1010 . 104 LYS H H 7.396 0.000 1 1011 . 104 LYS CA C 59.205 0.038 1 1012 . 104 LYS HA H 4.030 0.000 1 1013 . 104 LYS CB C 32.582 0.000 1 1014 . 104 LYS HB2 H 1.970 0.000 1 1015 . 104 LYS HB3 H 1.970 0.000 1 1016 . 104 LYS CG C 25.400 0.000 1 1017 . 104 LYS HG2 H 1.480 0.000 1 1018 . 104 LYS HG3 H 1.480 0.000 1 1019 . 104 LYS CD C 29.220 0.000 1 1020 . 104 LYS HD2 H 1.710 0.000 1 1021 . 104 LYS HD3 H 1.710 0.000 1 1022 . 104 LYS CE C 42.350 0.000 1 1023 . 104 LYS HE2 H 3.010 0.000 1 1024 . 104 LYS HE3 H 3.010 0.000 1 1025 . 104 LYS C C 177.160 0.000 1 1026 . 105 ILE N N 119.658 0.000 1 1027 . 105 ILE H H 8.009 0.002 1 1028 . 105 ILE CA C 65.352 0.038 1 1029 . 105 ILE HA H 3.550 0.000 1 1030 . 105 ILE CB C 38.114 0.000 1 1031 . 105 ILE HB H 1.840 0.000 1 1032 . 105 ILE HG2 H 0.800 0.000 1 1033 . 105 ILE CG2 C 17.700 0.000 1 1034 . 105 ILE CG1 C 28.70 0.000 1 1035 . 105 ILE HG12 H 1.080 0.000 2 1036 . 105 ILE HG13 H 1.530 0.000 2 1037 . 105 ILE HD1 H 0.700 0.000 1 1038 . 105 ILE CD1 C 12.800 0.000 1 1039 . 105 ILE C C 179.200 0.000 1 1040 . 106 ILE N N 120.135 0.024 1 1041 . 106 ILE H H 8.368 0.002 1 1042 . 106 ILE CA C 64.506 0.038 1 1043 . 106 ILE HA H 3.530 0.000 1 1044 . 106 ILE CB C 37.346 0.000 1 1045 . 106 ILE HB H 1.830 0.000 1 1046 . 106 ILE HG2 H 0.470 0.000 1 1047 . 106 ILE CG2 C 16.600 0.000 1 1048 . 106 ILE CG1 C 30.000 0.000 1 1049 . 106 ILE HG12 H 1.050 0.000 1 1050 . 106 ILE HG13 H 1.050 0.000 1 1051 . 106 ILE HD1 H 0.800 0.000 1 1052 . 106 ILE CD1 C 15.000 0.000 1 1053 . 106 ILE C C 178.830 0.000 1 1054 . 107 GLU N N 120.658 0.000 1 1055 . 107 GLU H H 7.800 0.000 1 1056 . 107 GLU CA C 59.435 0.038 1 1057 . 107 GLU HA H 4.000 0.000 1 1058 . 107 GLU CB C 29.240 0.038 1 1059 . 107 GLU HB2 H 2.100 0.000 2 1060 . 107 GLU HB3 H 2.170 0.000 2 1061 . 107 GLU CG C 34.150 0.000 1 1062 . 107 GLU HG2 H 2.420 0.000 1 1063 . 107 GLU HG3 H 2.420 0.000 1 1064 . 107 GLU C C 179.110 0.000 1 1065 . 108 ASP N N 121.658 0.000 1 1066 . 108 ASP H H 8.544 0.000 1 1067 . 108 ASP CA C 56.900 0.038 1 1068 . 108 ASP HA H 4.450 0.000 1 1069 . 108 ASP CB C 40.534 0.038 1 1070 . 108 ASP HB2 H 2.820 0.000 1 1071 . 108 ASP HB3 H 2.820 0.000 1 1072 . 108 ASP C C 178.000 0.000 1 1073 . 109 GLN N N 120.408 0.000 1 1074 . 109 GLN H H 8.337 0.000 1 1075 . 109 GLN CA C 58.193 0.036 1 1076 . 109 GLN HA H 3.500 0.000 1 1077 . 109 GLN CB C 28.356 0.000 1 1078 . 109 GLN HB2 H 1.540 0.000 1 1079 . 109 GLN HB3 H 1.540 0.000 1 1080 . 109 GLN CG C 33.600 0.000 1 1081 . 109 GLN HG2 H 1.700 0.000 2 1082 . 109 GLN HG3 H 1.260 0.000 2 1083 . 109 GLN C C 178.370 0.000 1 1084 . 110 GLN N N 119.158 0.000 1 1085 . 110 GLN H H 8.049 0.001 1 1086 . 110 GLN CA C 58.168 0.000 1 1087 . 110 GLN HA H 4.010 0.000 1 1088 . 110 GLN CB C 28.395 0.038 1 1089 . 110 GLN HB2 H 2.140 0.000 1 1090 . 110 GLN HB3 H 2.140 0.000 1 1091 . 110 GLN CG C 34.140 0.000 1 1092 . 110 GLN HG2 H 2.410 0.000 1 1093 . 110 GLN HG3 H 2.410 0.000 1 1094 . 110 GLN C C 179.100 0.000 1 1095 . 111 GLU N N 120.408 0.000 1 1096 . 111 GLU H H 8.294 0.000 1 1097 . 111 GLU CA C 58.513 0.038 1 1098 . 111 GLU HA H 4.220 0.000 1 1099 . 111 GLU CB C 29.624 0.038 1 1100 . 111 GLU HB2 H 2.150 0.000 1 1101 . 111 GLU HB3 H 2.150 0.000 1 1102 . 111 GLU CG C 36.330 0.000 1 1103 . 111 GLU HG2 H 2.380 0.000 1 1104 . 111 GLU HG3 H 2.380 0.000 1 1105 . 111 GLU C C 178.200 0.000 1 1106 . 112 SER N N 114.658 0.000 1 1107 . 112 SER H H 8.069 0.000 1 1108 . 112 SER CA C 60.588 0.038 1 1109 . 112 SER HA H 4.380 0.000 1 1110 . 112 SER CB C 63.623 0.000 1 1111 . 112 SER HB2 H 4.110 0.000 1 1112 . 112 SER HB3 H 4.110 0.000 1 1113 . 112 SER C C 175.860 0.000 1 1114 . 113 LEU N N 122.158 0.000 1 1115 . 113 LEU H H 7.930 0.000 1 1116 . 113 LEU CA C 56.554 0.000 1 1117 . 113 LEU HA H 4.280 0.000 1 1118 . 113 LEU CB C 42.033 0.000 1 1119 . 113 LEU HB2 H 1.580 0.000 2 1120 . 113 LEU HB3 H 1.730 0.000 2 1121 . 113 LEU CG C 27.040 0.000 1 1122 . 113 LEU HG H 1.720 0.000 1 1123 . 113 LEU CD1 C 24.850 0.000 1 1124 . 113 LEU CD2 C 24.850 0.000 1 1125 . 113 LEU HD1 H 0.890 0.000 1 1126 . 113 LEU HD2 H 0.890 0.000 1 1127 . 113 LEU C C 178.000 0.000 1 1128 . 114 ASN N N 117.408 0.000 1 1129 . 114 ASN H H 8.121 0.000 1 1130 . 114 ASN CA C 54.172 0.077 1 1131 . 114 ASN HA H 4.630 0.000 1 1132 . 114 ASN CB C 38.652 0.000 1 1133 . 114 ASN HB2 H 2.780 0.000 2 1134 . 114 ASN HB3 H 2.880 0.000 2 1135 . 114 ASN C C 175.300 0.000 1 1136 . 115 LYS N N 120.908 0.000 1 1137 . 115 LYS H H 8.033 0.000 1 1138 . 115 LYS CA C 57.707 0.000 1 1139 . 115 LYS HA H 4.130 0.000 1 1140 . 115 LYS CB C 32.352 0.000 1 1141 . 115 LYS HB2 H 1.780 0.000 1 1142 . 115 LYS HB3 H 1.780 0.000 1 1143 . 115 LYS CG C 24.850 0.000 1 1144 . 115 LYS HG2 H 1.310 0.000 1 1145 . 115 LYS HG3 H 1.310 0.000 1 1146 . 115 LYS CD C 29.230 0.000 1 1147 . 115 LYS HD2 H 1.640 0.000 1 1148 . 115 LYS HD3 H 1.640 0.000 1 1149 . 115 LYS CE C 42.900 0.000 1 1150 . 115 LYS HE2 H 2.980 0.000 1 1151 . 115 LYS HE3 H 2.980 0.000 1 1152 . 115 LYS C C 176.500 0.000 1 1153 . 116 TRP N N 119.650 0.000 1 1154 . 116 TRP H H 8.000 0.000 1 1155 . 116 TRP CA C 57.400 0.000 1 1156 . 116 TRP HA H 4.730 0.000 1 1157 . 116 TRP CB C 29.030 0.000 1 1158 . 116 TRP NE1 N 129.170 0.000 1 1159 . 116 TRP HD1 H 7.280 0.000 1 1160 . 116 TRP HE3 H 7.880 0.000 1 1161 . 116 TRP HE1 H 10.140 0.000 1 1162 . 116 TRP HZ3 H 7.240 0.000 1 1163 . 116 TRP HZ2 H 7.140 0.000 1 1164 . 116 TRP HH2 H 7.660 0.000 1 1165 . 116 TRP C C 176.270 0.000 1 1166 . 117 LYS N N 121.160 0.000 1 1167 . 117 LYS H H 7.950 0.000 1 1168 . 117 LYS CA C 57.800 0.000 1 1169 . 117 LYS HA H 3.940 0.000 1 1170 . 117 LYS CB C 32.500 0.000 1 1171 . 117 LYS HB2 H 1.860 0.000 2 1172 . 117 LYS HB3 H 2.070 0.000 2 1173 . 117 LYS CG C 26.490 0.000 1 1174 . 117 LYS HG2 H 1.540 0.000 1 1175 . 117 LYS HG3 H 1.540 0.000 1 1176 . 117 LYS CD C 29.770 0.000 1 1177 . 117 LYS HD2 H 1.810 0.000 1 1178 . 117 LYS HD3 H 1.810 0.000 1 1179 . 118 SER N N 115.900 0.000 1 1180 . 118 SER H H 8.150 0.000 1 1181 . 118 SER CA C 58.520 0.000 1 1182 . 118 SER CB C 63.500 0.000 1 1183 . 119 LYS N N 122.650 0.000 1 1184 . 119 LYS H H 8.240 0.000 1 1185 . 119 LYS CA C 56.500 0.000 1 1186 . 119 LYS CB C 32.500 0.000 1 1187 . 119 LYS C C 176.980 0.000 1 1188 . 120 GLY N N 110.410 0.000 1 1189 . 120 GLY H H 8.410 0.000 1 1190 . 120 GLY CA C 45.200 0.000 1 1191 . 120 GLY C C 173.090 0.000 1 1192 . 121 ARG N N 125.680 0.000 1 1193 . 121 ARG H H 7.850 0.000 1 1194 . 121 ARG CA C 58.000 0.000 1 1195 . 121 ARG CB C 31.450 0.000 1 stop_ save_