data_6337 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of Ubiquitin like protein from Mus musculus ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Singh Shanteri . . 2 Tonelli Marco . . 3 Tyler Robert C. . 4 Lee Min S. . 5 Markley John L. . stop_ _BMRB_accession_number 6337 _BMRB_flat_file_name bmr6337.str _Entry_type new _Submission_date 2004-10-05 _Accession_date 2004-10-05 _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' 583 '15N chemical shifts' 104 '13C chemical shifts' 419 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Solution structure of Ubiquitin like protein from Mus musculus ; _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 Singh Shanteri . . 2 Tonelli Marco . . 3 Tyler Robert C. . 4 Lee Min S. . 5 Markley John L. . stop_ _Journal_abbreviation "J. Biol. Chem." _Journal_volume ? _Journal_issue ? _Page_first ? _Page_last ? _Year ? save_ ################################## # Molecular system description # ################################## save_molecular_system_AAH26994 _Saveframe_category molecular_system _Mol_system_name AAH26994 _Abbreviation_common AAH26994 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label AAH26994 $AAH26994 stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state "all free" save_ ######################## # Monomeric polymers # ######################## save_AAH26994 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AAH26994 _Name_variant . _Abbreviation_common AAH26994 _Mol_thiol_state "all free" ############################## # Polymer residue sequence # ############################## _Residue_count 101 _Mol_residue_sequence ; SAAPLCVKVEFGGGAELLFD GVKKHQVALPGQEEPWDIRN LLVWIKKNLLKERPELFIQG DSVRPGILVLINDADWELLG ELDYQLQDQDSILFISTLHG G ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ALA 3 ALA 4 PRO 5 LEU 6 CYS 7 VAL 8 LYS 9 VAL 10 GLU 11 PHE 12 GLY 13 GLY 14 GLY 15 ALA 16 GLU 17 LEU 18 LEU 19 PHE 20 ASP 21 GLY 22 VAL 23 LYS 24 LYS 25 HIS 26 GLN 27 VAL 28 ALA 29 LEU 30 PRO 31 GLY 32 GLN 33 GLU 34 GLU 35 PRO 36 TRP 37 ASP 38 ILE 39 ARG 40 ASN 41 LEU 42 LEU 43 VAL 44 TRP 45 ILE 46 LYS 47 LYS 48 ASN 49 LEU 50 LEU 51 LYS 52 GLU 53 ARG 54 PRO 55 GLU 56 LEU 57 PHE 58 ILE 59 GLN 60 GLY 61 ASP 62 SER 63 VAL 64 ARG 65 PRO 66 GLY 67 ILE 68 LEU 69 VAL 70 LEU 71 ILE 72 ASN 73 ASP 74 ALA 75 ASP 76 TRP 77 GLU 78 LEU 79 LEU 80 GLY 81 GLU 82 LEU 83 ASP 84 TYR 85 GLN 86 LEU 87 GLN 88 ASP 89 GLN 90 ASP 91 SER 92 ILE 93 LEU 94 PHE 95 ILE 96 SER 97 THR 98 LEU 99 HIS 100 GLY 101 GLY stop_ _Sequence_homology_query_date 2004-11-29 _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 DBJ BAB31673.1 "unnamed protein product [Mus musculus]" 100.00 101 100 100 6e-53 DBJ BAC33956.1 "unnamed protein product [Mus musculus]" 100.00 101 100 100 6e-53 DBJ BAC33621.1 "unnamed protein product [Mus musculus]" 100.00 101 99 99 5e-52 GenBank AAH26994.1 "RIKEN cDNA 2900073H19 [Mus musculus]" 100.00 101 100 100 6e-53 REF NP_080891.1 "RIKEN cDNA 2900073H19 [Mus musculus]" 100.00 101 100 100 6e-53 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AAH26994 "Mus musculus" 10090 Eukaryota Metazoa Mus musculus 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 $AAH26994 "recombinant technology" . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $AAH26994 1 mM 1 1.1 "[U-15N; U-13C]" "Bis-Tris buffer" 5 mM . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model INOVA _Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 15-1H HSQC HNCO CBCACONH HNCACB HBHACONH HCCONH CCONH CCOTOCSY ; save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details ; Buffer conditions: 5mM Bis-Tris buffer ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 pH temperature 298 1 K "ionic strength" 0.05 0.005 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 "methyl protons" ppm 0.0 internal direct . . . 1.0 DSS C 13 "methyl protons" ppm 0.0 . indirect . . . 0.251449530 DSS N 15 "methyl protons" ppm 0.0 . indirect . . . 0.101329118 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_1 stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name AAH26994 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 1 SER CA C 55.413 0.3 1 2 1 SER HA H 4.475 0.03 1 3 1 SER CB C 66.596 0.3 1 4 1 SER C C 176.749 0.3 1 5 2 ALA N N 126.362 0.3 1 6 2 ALA H H 8.289 0.03 1 7 2 ALA CA C 52.013 0.3 1 8 2 ALA HA H 4.492 0.03 1 9 2 ALA CB C 20.032 0.3 1 10 2 ALA HB H 1.343 0.03 1 11 2 ALA C C 176.749 0.3 1 12 3 ALA N N 126.340 0.3 1 13 3 ALA H H 8.245 0.03 1 14 3 ALA CA C 50.648 0.3 1 15 3 ALA HA H 4.611 0.03 1 16 3 ALA CB C 18.433 0.3 1 17 3 ALA HB H 1.400 0.03 1 18 4 PRO CA C 62.871 0.3 1 19 4 PRO HA H 4.447 0.03 1 20 4 PRO CB C 32.507 0.3 1 21 4 PRO HB3 H 2.296 0.03 2 22 4 PRO HB2 H 1.774 0.03 2 23 4 PRO CG C 27.373 0.3 1 24 4 PRO HG3 H 2.366 0.03 2 25 4 PRO HG2 H 1.988 0.03 2 26 4 PRO CD C 50.360 0.3 1 27 4 PRO HD3 H 3.666 0.03 2 28 4 PRO HD2 H 3.764 0.03 2 29 4 PRO C C 175.772 0.3 1 30 5 LEU N N 121.324 0.3 1 31 5 LEU H H 8.076 0.03 1 32 5 LEU CA C 54.667 0.3 1 33 5 LEU HA H 4.554 0.03 1 34 5 LEU CB C 45.003 0.3 1 35 5 LEU HB3 H 1.393 0.03 1 36 5 LEU HB2 H 1.393 0.03 1 37 5 LEU HG H 1.395 0.03 1 38 5 LEU CD1 C 26.217 0.3 1 39 5 LEU HD1 H 0.663 0.03 2 40 5 LEU CD2 C 22.960 0.3 1 41 5 LEU HD2 H 0.854 0.03 2 42 5 LEU C C 174.718 0.3 1 43 6 CYS N N 122.707 0.3 1 44 6 CYS H H 8.811 0.03 1 45 6 CYS CA C 57.487 0.3 1 46 6 CYS HA H 5.259 0.03 1 47 6 CYS CB C 28.617 0.3 1 48 6 CYS HB3 H 2.752 0.03 1 49 6 CYS HB2 H 2.752 0.03 1 50 6 CYS C C 174.026 0.3 1 51 7 VAL N N 118.792 0.3 1 52 7 VAL H H 8.613 0.03 1 53 7 VAL CA C 59.046 0.3 1 54 7 VAL HA H 4.728 0.03 1 55 7 VAL CB C 35.382 0.3 1 56 7 VAL HB H 1.971 0.03 1 57 7 VAL CG2 C 19.118 0.3 1 58 7 VAL HG2 H 0.473 0.03 2 59 7 VAL CG1 C 22.575 0.3 1 60 7 VAL HG1 H 0.771 0.03 2 61 7 VAL C C 173.920 0.3 1 62 8 LYS N N 123.367 0.3 1 63 8 LYS H H 8.772 0.03 1 64 8 LYS CA C 55.401 0.3 1 65 8 LYS HA H 4.877 0.03 1 66 8 LYS CB C 33.284 0.3 1 67 8 LYS HB3 H 1.844 0.03 2 68 8 LYS HB2 H 1.712 0.03 2 69 8 LYS CG C 25.041 0.3 1 70 8 LYS HG3 H 1.368 0.03 2 71 8 LYS HG2 H 1.291 0.03 2 72 8 LYS CD C 29.310 0.3 1 73 8 LYS HD3 H 1.618 0.03 2 74 8 LYS HD2 H 1.570 0.03 2 75 8 LYS CE C 42.184 0.3 1 76 8 LYS HE3 H 2.861 0.03 1 77 8 LYS HE2 H 2.861 0.03 1 78 8 LYS C C 174.792 0.3 1 79 9 VAL N N 122.525 0.3 1 80 9 VAL H H 8.615 0.03 1 81 9 VAL CA C 60.282 0.3 1 82 9 VAL HA H 4.916 0.03 1 83 9 VAL CB C 34.661 0.3 1 84 9 VAL HB H 1.616 0.03 1 85 9 VAL CG2 C 22.255 0.3 1 86 9 VAL HG2 H 0.760 0.03 2 87 9 VAL CG1 C 23.064 0.3 1 88 9 VAL HG1 H 0.486 0.03 2 89 9 VAL C C 173.576 0.3 1 90 10 GLU N N 128.177 0.3 1 91 10 GLU H H 8.797 0.03 1 92 10 GLU CA C 52.985 0.3 1 93 10 GLU HA H 5.557 0.03 1 94 10 GLU CB C 33.225 0.3 1 95 10 GLU HB3 H 1.741 0.03 2 96 10 GLU HB2 H 1.800 0.03 2 97 10 GLU CG C 36.846 0.3 1 98 10 GLU HG3 H 2.106 0.03 2 99 10 GLU HG2 H 1.979 0.03 2 100 10 GLU C C 173.085 0.3 1 101 11 PHE N N 122.619 0.3 1 102 11 PHE H H 8.920 0.03 1 103 11 PHE CA C 56.163 0.3 1 104 11 PHE HA H 5.730 0.03 1 105 11 PHE CB C 42.491 0.3 1 106 11 PHE HB3 H 2.673 0.03 2 107 11 PHE HB2 H 2.977 0.03 2 108 11 PHE HD1 H 6.924 0.03 3 109 11 PHE C C 176.156 0.3 1 110 12 GLY N N 107.498 0.3 1 111 12 GLY H H 9.220 0.03 1 112 12 GLY CA C 44.916 0.3 1 113 12 GLY HA3 H 5.109 0.03 2 114 12 GLY HA2 H 3.988 0.03 2 115 12 GLY C C 179.833 0.3 1 116 13 GLY N N 108.041 0.3 1 117 13 GLY H H 6.135 0.03 1 118 13 GLY CA C 46.366 0.3 1 119 13 GLY HA3 H 4.033 0.03 2 120 13 GLY HA2 H 4.636 0.03 2 121 13 GLY C C 173.295 0.3 1 122 14 GLY N N 109.058 0.3 1 123 14 GLY H H 9.265 0.03 1 124 14 GLY CA C 44.450 0.3 1 125 14 GLY HA3 H 4.666 0.03 2 126 14 GLY HA2 H 3.464 0.03 2 127 14 GLY C C 177.489 0.3 1 128 15 ALA N N 125.368 0.3 1 129 15 ALA H H 7.869 0.03 1 130 15 ALA CA C 54.867 0.3 1 131 15 ALA HA H 4.170 0.03 1 132 15 ALA CB C 17.547 0.3 1 133 15 ALA HB H 1.815 0.03 1 134 15 ALA C C 178.261 0.3 1 135 16 GLU N N 117.355 0.3 1 136 16 GLU H H 11.016 0.03 1 137 16 GLU CA C 58.920 0.3 1 138 16 GLU HA H 4.016 0.03 1 139 16 GLU CB C 26.942 0.3 1 140 16 GLU HB3 H 1.548 0.03 2 141 16 GLU HB2 H 2.234 0.03 2 142 16 GLU CG C 34.451 0.3 1 143 16 GLU HG3 H 2.035 0.03 2 144 16 GLU HG2 H 2.333 0.03 2 145 16 GLU C C 178.478 0.3 1 146 17 LEU N N 123.748 0.3 1 147 17 LEU H H 7.696 0.03 1 148 17 LEU CA C 56.862 0.3 1 149 17 LEU HA H 3.999 0.03 1 150 17 LEU CB C 40.308 0.3 1 151 17 LEU HB3 H 1.819 0.03 2 152 17 LEU HB2 H 1.577 0.03 2 153 17 LEU CG C 27.545 0.3 1 154 17 LEU HG H 1.644 0.03 1 155 17 LEU CD1 C 24.912 0.3 1 156 17 LEU HD1 H 0.969 0.03 2 157 17 LEU CD2 C 22.105 0.3 1 158 17 LEU HD2 H 0.875 0.03 2 159 17 LEU C C 178.040 0.3 1 160 18 LEU N N 117.858 0.3 1 161 18 LEU H H 7.624 0.03 1 162 18 LEU CA C 54.877 0.3 1 163 18 LEU HA H 3.939 0.03 1 164 18 LEU CB C 39.735 0.3 1 165 18 LEU HB3 H 0.876 0.03 2 166 18 LEU HB2 H 1.215 0.03 2 167 18 LEU CG C 26.989 0.3 1 168 18 LEU HG H 1.568 0.03 1 169 18 LEU CD1 C 25.737 0.3 1 170 18 LEU HD1 H 0.762 0.03 2 171 18 LEU CD2 C 22.468 0.3 1 172 18 LEU HD2 H 0.670 0.03 2 173 18 LEU C C 174.534 0.3 1 174 19 PHE N N 118.349 0.3 1 175 19 PHE H H 7.191 0.03 1 176 19 PHE CA C 56.137 0.3 1 177 19 PHE HA H 4.347 0.03 1 178 19 PHE CB C 39.018 0.3 1 179 19 PHE HB3 H 3.134 0.03 2 180 19 PHE HB2 H 2.563 0.03 2 181 19 PHE HD1 H 6.447 0.03 3 182 19 PHE HE1 H 5.835 0.03 3 183 19 PHE C C 176.986 0.3 1 184 20 ASP N N 121.256 0.3 1 185 20 ASP H H 9.025 0.03 1 186 20 ASP CA C 55.433 0.3 1 187 20 ASP HA H 4.446 0.03 1 188 20 ASP CB C 40.469 0.3 1 189 20 ASP HB3 H 2.578 0.03 2 190 20 ASP HB2 H 3.210 0.03 2 191 20 ASP C C 175.286 0.3 1 192 21 GLY N N 102.624 0.3 1 193 21 GLY H H 7.806 0.03 1 194 21 GLY CA C 45.688 0.3 1 195 21 GLY HA3 H 3.077 0.03 2 196 21 GLY HA2 H 4.192 0.03 2 197 21 GLY C C 173.481 0.3 1 198 22 VAL N N 122.416 0.3 1 199 22 VAL H H 7.463 0.03 1 200 22 VAL CA C 63.195 0.3 1 201 22 VAL HA H 3.912 0.03 1 202 22 VAL CB C 31.493 0.3 1 203 22 VAL HB H 2.285 0.03 1 204 22 VAL CG2 C 21.147 0.3 1 205 22 VAL HG2 H 0.588 0.03 2 206 22 VAL CG1 C 20.933 0.3 1 207 22 VAL HG1 H 1.041 0.03 2 208 22 VAL C C 176.287 0.3 1 209 23 LYS N N 126.959 0.3 1 210 23 LYS H H 8.425 0.03 1 211 23 LYS CA C 60.044 0.3 1 212 23 LYS HA H 4.466 0.03 1 213 23 LYS CB C 34.341 0.3 1 214 23 LYS HB3 H 1.843 0.03 2 215 23 LYS HB2 H 2.199 0.03 2 216 23 LYS CG C 26.513 0.3 1 217 23 LYS HG3 H 1.541 0.03 2 218 23 LYS HG2 H 1.664 0.03 2 219 23 LYS CD C 29.620 0.3 1 220 23 LYS HD3 H 1.835 0.03 2 221 23 LYS HD2 H 1.902 0.03 2 222 23 LYS CE C 42.252 0.3 1 223 23 LYS HE3 H 2.956 0.03 1 224 23 LYS HE2 H 2.956 0.03 1 225 23 LYS C C 176.447 0.3 1 226 24 LYS N N 115.825 0.3 1 227 24 LYS H H 7.574 0.03 1 228 24 LYS CA C 56.631 0.3 1 229 24 LYS HA H 4.905 0.03 1 230 24 LYS CB C 34.847 0.3 1 231 24 LYS HB3 H 1.749 0.03 2 232 24 LYS HB2 H 1.622 0.03 2 233 24 LYS CG C 25.476 0.3 1 234 24 LYS HG3 H 1.207 0.03 2 235 24 LYS HG2 H 1.325 0.03 2 236 24 LYS CD C 29.522 0.3 1 237 24 LYS HD3 H 1.614 0.03 2 238 24 LYS HD2 H 1.579 0.03 2 239 24 LYS CE C 41.917 0.3 1 240 24 LYS HE3 H 2.902 0.03 1 241 24 LYS HE2 H 2.902 0.03 1 242 24 LYS C C 174.936 0.3 1 243 25 HIS N N 122.461 0.3 1 244 25 HIS H H 9.111 0.03 1 245 25 HIS CA C 55.255 0.3 1 246 25 HIS HA H 4.506 0.03 1 247 25 HIS CB C 34.244 0.3 1 248 25 HIS HB3 H 2.837 0.03 1 249 25 HIS HB2 H 2.837 0.03 1 250 25 HIS C C 174.474 0.3 1 251 26 GLN N N 125.252 0.3 1 252 26 GLN H H 8.969 0.03 1 253 26 GLN CA C 55.683 0.3 1 254 26 GLN HA H 4.712 0.03 1 255 26 GLN CB C 29.192 0.3 1 256 26 GLN HB3 H 1.960 0.03 2 257 26 GLN HB2 H 2.012 0.03 2 258 26 GLN CG C 34.174 0.3 1 259 26 GLN HG3 H 2.186 0.03 2 260 26 GLN C C 174.954 0.3 1 261 27 VAL N N 126.534 0.3 1 262 27 VAL H H 8.783 0.03 1 263 27 VAL CA C 61.557 0.3 1 264 27 VAL HA H 4.119 0.03 1 265 27 VAL CB C 33.888 0.3 1 266 27 VAL HB H 1.675 0.03 1 267 27 VAL CG2 C 20.587 0.3 1 268 27 VAL HG2 H 0.050 0.03 2 269 27 VAL CG1 C 20.661 0.3 1 270 27 VAL HG1 H 0.647 0.03 2 271 27 VAL C C 172.907 0.3 1 272 28 ALA N N 130.646 0.3 1 273 28 ALA H H 8.132 0.03 1 274 28 ALA CA C 50.164 0.3 1 275 28 ALA HA H 4.721 0.03 1 276 28 ALA CB C 18.579 0.3 1 277 28 ALA HB H 1.206 0.03 1 278 28 ALA C C 175.848 0.3 1 279 29 LEU N N 126.271 0.3 1 280 29 LEU H H 8.526 0.03 1 281 29 LEU CA C 51.290 0.3 1 282 29 LEU HA H 3.895 0.03 1 283 29 LEU CB C 39.698 0.3 1 284 29 LEU HB3 H 0.805 0.03 2 285 29 LEU HB2 H -0.426 0.03 2 286 29 LEU CG C 24.649 0.3 1 287 29 LEU HG H -0.423 0.03 1 288 29 LEU CD1 C 19.930 0.3 1 289 29 LEU HD1 H -1.243 0.03 2 290 30 PRO CA C 62.088 0.3 1 291 30 PRO HA H 4.530 0.03 1 292 30 PRO CB C 32.579 0.3 1 293 30 PRO HB3 H 2.392 0.03 2 294 30 PRO HB2 H 2.290 0.03 2 295 30 PRO CG C 27.283 0.3 1 296 30 PRO HG3 H 2.360 0.03 1 297 30 PRO HG2 H 2.360 0.03 1 298 30 PRO CD C 50.314 0.3 1 299 30 PRO HD3 H 3.764 0.03 2 300 30 PRO HD2 H 3.646 0.03 2 301 30 PRO C C 176.788 0.3 1 302 31 GLY N N 106.339 0.3 1 303 31 GLY H H 8.532 0.03 1 304 31 GLY CA C 46.044 0.3 1 305 31 GLY HA3 H 3.610 0.03 2 306 31 GLY HA2 H 4.107 0.03 2 307 31 GLY C C 175.397 0.3 1 308 32 GLN N N 118.744 0.3 1 309 32 GLN H H 8.251 0.03 1 310 32 GLN CA C 54.765 0.3 1 311 32 GLN HA H 4.744 0.03 1 312 32 GLN CB C 30.011 0.3 1 313 32 GLN HB3 H 1.870 0.03 2 314 32 GLN HB2 H 2.307 0.03 2 315 32 GLN CG C 36.242 0.3 1 316 32 GLN HG3 H 2.251 0.03 1 317 32 GLN HG2 H 2.251 0.03 1 318 32 GLN C C 174.624 0.3 1 319 33 GLU N N 119.200 0.3 1 320 33 GLU H H 8.527 0.03 1 321 33 GLU CA C 59.328 0.3 1 322 33 GLU HA H 4.029 0.03 1 323 33 GLU CB C 30.136 0.3 1 324 33 GLU HB3 H 1.944 0.03 2 325 33 GLU HB2 H 1.998 0.03 2 326 33 GLU CG C 36.293 0.3 1 327 33 GLU HG3 H 2.274 0.03 1 328 33 GLU HG2 H 2.274 0.03 1 329 33 GLU C C 177.148 0.3 1 330 34 GLU N N 118.587 0.3 1 331 34 GLU H H 7.886 0.03 1 332 34 GLU CA C 54.304 0.3 1 333 34 GLU HA H 4.489 0.03 1 334 34 GLU CB C 29.168 0.3 1 335 34 GLU HB3 H 1.613 0.03 2 336 34 GLU HB2 H 1.815 0.03 2 337 34 GLU CG C 36.090 0.3 1 338 34 GLU HG3 H 2.164 0.03 1 339 34 GLU HG2 H 2.164 0.03 1 340 35 PRO CA C 62.817 0.3 1 341 35 PRO HA H 4.289 0.03 1 342 35 PRO CB C 32.062 0.3 1 343 35 PRO HB3 H 2.231 0.03 2 344 35 PRO HB2 H 1.655 0.03 2 345 35 PRO CG C 27.767 0.3 1 346 35 PRO HG3 H 1.983 0.03 2 347 35 PRO HG2 H 2.029 0.03 2 348 35 PRO CD C 50.363 0.3 1 349 35 PRO HD3 H 3.530 0.03 2 350 35 PRO HD2 H 3.799 0.03 2 351 35 PRO C C 177.881 0.3 1 352 36 TRP N N 123.403 0.3 1 353 36 TRP H H 8.602 0.03 1 354 36 TRP CA C 58.393 0.3 1 355 36 TRP HA H 4.466 0.03 1 356 36 TRP CB C 29.909 0.3 1 357 36 TRP HB3 H 3.010 0.03 1 358 36 TRP HB2 H 3.010 0.03 1 359 36 TRP HD1 H 7.190 0.03 1 360 36 TRP NE1 N 129.709 0.3 1 361 36 TRP HE1 H 10.235 0.03 3 362 36 TRP HE3 H 7.334 0.03 3 363 36 TRP C C 175.852 0.3 1 364 37 ASP N N 124.121 0.3 1 365 37 ASP H H 8.142 0.03 1 366 37 ASP CA C 51.476 0.3 1 367 37 ASP HA H 5.766 0.03 1 368 37 ASP CB C 43.153 0.3 1 369 37 ASP HB3 H 2.536 0.03 2 370 37 ASP HB2 H 3.285 0.03 2 371 37 ASP C C 176.590 0.3 1 372 38 ILE N N 119.671 0.3 1 373 38 ILE H H 7.914 0.03 1 374 38 ILE CA C 63.618 0.3 1 375 38 ILE HA H 4.158 0.03 1 376 38 ILE CB C 34.852 0.3 1 377 38 ILE HB H 2.834 0.03 1 378 38 ILE CG1 C 29.046 0.3 1 379 38 ILE HG13 H 2.147 0.03 4 380 38 ILE HG12 H 1.995 0.03 4 381 38 ILE CD1 C 10.651 0.3 1 382 38 ILE HD1 H 1.020 0.03 1 383 38 ILE CG2 C 17.843 0.3 1 384 38 ILE HG2 H 1.368 0.03 1 385 38 ILE C C 177.481 0.3 1 386 39 ARG N N 121.239 0.3 1 387 39 ARG H H 8.724 0.03 1 388 39 ARG CA C 61.265 0.3 1 389 39 ARG HA H 4.017 0.03 1 390 39 ARG CB C 30.944 0.3 1 391 39 ARG HB3 H 2.191 0.03 2 392 39 ARG HB2 H 2.084 0.03 2 393 39 ARG CG C 29.023 0.3 1 394 39 ARG HG3 H 1.742 0.03 2 395 39 ARG HG2 H 1.615 0.03 2 396 39 ARG CD C 42.999 0.3 1 397 39 ARG HD3 H 3.448 0.03 2 398 39 ARG HD2 H 3.340 0.03 2 399 39 ARG C C 179.023 0.3 1 400 40 ASN N N 117.616 0.3 1 401 40 ASN H H 9.133 0.03 1 402 40 ASN CA C 56.436 0.3 1 403 40 ASN HA H 4.841 0.03 1 404 40 ASN CB C 38.874 0.3 1 405 40 ASN HB3 H 2.901 0.03 2 406 40 ASN HB2 H 3.085 0.03 2 407 40 ASN ND2 N 113.440 0.3 1 408 40 ASN HD21 H 8.040 0.03 2 409 40 ASN HD22 H 6.967 0.03 2 410 40 ASN C C 179.434 0.3 1 411 41 LEU N N 126.547 0.3 1 412 41 LEU H H 9.388 0.03 1 413 41 LEU CA C 58.743 0.3 1 414 41 LEU HA H 4.624 0.03 1 415 41 LEU CB C 41.595 0.3 1 416 41 LEU HB3 H 1.833 0.03 2 417 41 LEU HB2 H 2.709 0.03 2 418 41 LEU CG C 26.835 0.3 1 419 41 LEU HG H 1.095 0.03 1 420 41 LEU HD1 H 1.099 0.03 2 421 41 LEU CD2 C 23.024 0.3 1 422 41 LEU HD2 H 0.844 0.03 2 423 41 LEU C C 178.801 0.3 1 424 42 LEU N N 118.921 0.3 1 425 42 LEU H H 8.983 0.03 1 426 42 LEU CA C 59.148 0.3 1 427 42 LEU HA H 4.150 0.03 1 428 42 LEU CB C 41.131 0.3 1 429 42 LEU HB3 H 2.320 0.03 2 430 42 LEU HB2 H 1.379 0.03 2 431 42 LEU CG C 27.622 0.3 1 432 42 LEU CD1 C 26.794 0.3 1 433 42 LEU HD1 H 1.042 0.03 2 434 42 LEU CD2 C 23.467 0.3 1 435 42 LEU HD2 H 0.817 0.03 2 436 42 LEU C C 179.038 0.3 1 437 43 VAL N N 118.840 0.3 1 438 43 VAL H H 7.224 0.03 1 439 43 VAL CA C 67.074 0.3 1 440 43 VAL HA H 3.656 0.03 1 441 43 VAL CB C 31.782 0.3 1 442 43 VAL HB H 2.558 0.03 1 443 43 VAL CG2 C 22.517 0.3 1 444 43 VAL HG2 H 1.243 0.03 2 445 43 VAL CG1 C 21.587 0.3 1 446 43 VAL HG1 H 1.114 0.03 2 447 43 VAL C C 177.666 0.3 1 448 44 TRP N N 121.777 0.3 1 449 44 TRP H H 8.376 0.03 1 450 44 TRP CA C 63.279 0.3 1 451 44 TRP HA H 4.087 0.03 1 452 44 TRP CB C 29.413 0.3 1 453 44 TRP HB3 H 3.660 0.03 2 454 44 TRP HB2 H 3.879 0.03 2 455 44 TRP HD1 H 7.312 0.03 1 456 44 TRP NE1 N 128.727 0.3 1 457 44 TRP HE1 H 10.213 0.03 3 458 44 TRP HZ2 H 6.840 0.03 3 459 44 TRP HE3 H 7.006 0.03 3 460 44 TRP C C 180.389 0.3 1 461 45 ILE N N 120.566 0.3 1 462 45 ILE H H 9.683 0.03 1 463 45 ILE CA C 66.596 0.3 1 464 45 ILE HA H 3.568 0.03 1 465 45 ILE CB C 38.575 0.3 1 466 45 ILE HB H 2.313 0.03 1 467 45 ILE CG1 C 29.788 0.3 1 468 45 ILE HG13 H 1.169 0.03 2 469 45 ILE HG12 H 2.539 0.03 2 470 45 ILE CD1 C 14.989 0.3 1 471 45 ILE HD1 H 0.997 0.03 1 472 45 ILE CG2 C 18.189 0.3 1 473 45 ILE HG2 H 0.962 0.03 1 474 45 ILE C C 178.441 0.3 1 475 46 LYS N N 122.578 0.3 1 476 46 LYS H H 8.664 0.03 1 477 46 LYS CA C 59.846 0.3 1 478 46 LYS HA H 3.978 0.03 1 479 46 LYS CB C 32.256 0.3 1 480 46 LYS HB3 H 2.018 0.03 2 481 46 LYS HB2 H 2.177 0.03 2 482 46 LYS CG C 24.862 0.3 1 483 46 LYS HG3 H 1.470 0.03 2 484 46 LYS HG2 H 1.541 0.03 2 485 46 LYS CD C 29.891 0.3 1 486 46 LYS HD3 H 1.775 0.03 2 487 46 LYS HD2 H 1.705 0.03 2 488 46 LYS CE C 41.989 0.3 1 489 46 LYS HE3 H 2.960 0.03 1 490 46 LYS HE2 H 2.960 0.03 1 491 46 LYS C C 176.790 0.3 1 492 47 LYS N N 114.997 0.3 1 493 47 LYS H H 7.815 0.03 1 494 47 LYS CA C 58.366 0.3 1 495 47 LYS HA H 4.104 0.03 1 496 47 LYS CB C 33.804 0.3 1 497 47 LYS HB3 H 1.684 0.03 1 498 47 LYS HB2 H 1.684 0.03 1 499 47 LYS CG C 25.385 0.3 1 500 47 LYS HG3 H 1.341 0.03 2 501 47 LYS HG2 H 1.528 0.03 2 502 47 LYS CD C 29.234 0.3 1 503 47 LYS HD3 H 1.617 0.03 2 504 47 LYS HD2 H 1.668 0.03 2 505 47 LYS CE C 42.147 0.3 1 506 47 LYS HE3 H 2.944 0.03 1 507 47 LYS HE2 H 2.944 0.03 1 508 47 LYS C C 177.817 0.3 1 509 48 ASN N N 112.414 0.3 1 510 48 ASN H H 7.882 0.03 1 511 48 ASN CA C 55.123 0.3 1 512 48 ASN HA H 4.553 0.03 1 513 48 ASN CB C 40.663 0.3 1 514 48 ASN HB3 H 1.801 0.03 1 515 48 ASN HB2 H 1.801 0.03 1 516 48 ASN C C 174.617 0.3 1 517 49 LEU N N 117.547 0.3 1 518 49 LEU H H 8.117 0.03 1 519 49 LEU CA C 55.221 0.3 1 520 49 LEU HA H 4.688 0.03 1 521 49 LEU CB C 45.863 0.3 1 522 49 LEU HB3 H 1.698 0.03 2 523 49 LEU HB2 H 1.615 0.03 2 524 49 LEU CG C 27.103 0.3 1 525 49 LEU HG H 1.623 0.03 1 526 49 LEU CD1 C 24.549 0.3 1 527 49 LEU HD1 H 0.771 0.03 2 528 49 LEU CD2 C 22.836 0.3 1 529 49 LEU HD2 H 0.810 0.03 2 530 49 LEU C C 176.176 0.3 1 531 50 LEU N N 119.751 0.3 1 532 50 LEU H H 7.312 0.03 1 533 50 LEU CA C 56.432 0.3 1 534 50 LEU HA H 3.496 0.03 1 535 50 LEU CB C 43.124 0.3 1 536 50 LEU HB3 H 1.100 0.03 2 537 50 LEU HB2 H 1.933 0.03 2 538 50 LEU CG C 26.879 0.3 1 539 50 LEU HG H 1.339 0.03 1 540 50 LEU CD1 C 24.679 0.3 1 541 50 LEU HD1 H 0.340 0.03 2 542 50 LEU CD2 C 24.682 0.3 1 543 50 LEU HD2 H 0.690 0.03 2 544 50 LEU C C 176.198 0.3 1 545 51 LYS N N 125.112 0.3 1 546 51 LYS H H 8.028 0.03 1 547 51 LYS CA C 55.455 0.3 1 548 51 LYS HA H 4.365 0.03 1 549 51 LYS CB C 32.925 0.3 1 550 51 LYS HB3 H 1.721 0.03 2 551 51 LYS HB2 H 1.789 0.03 2 552 51 LYS CG C 23.735 0.3 1 553 51 LYS HG3 H 1.377 0.03 2 554 51 LYS HG2 H 1.409 0.03 2 555 51 LYS CD C 28.078 0.3 1 556 51 LYS HD3 H 1.598 0.03 2 557 51 LYS HD2 H 1.759 0.03 2 558 51 LYS CE C 42.397 0.3 1 559 51 LYS HE3 H 2.947 0.03 1 560 51 LYS HE2 H 2.947 0.03 1 561 51 LYS C C 176.379 0.3 1 562 52 GLU N N 117.508 0.3 1 563 52 GLU H H 6.920 0.03 1 564 52 GLU CA C 54.657 0.3 1 565 52 GLU HA H 4.457 0.03 1 566 52 GLU CB C 33.221 0.3 1 567 52 GLU HB3 H 1.571 0.03 2 568 52 GLU HB2 H 2.171 0.03 2 569 52 GLU CG C 36.141 0.3 1 570 52 GLU HG3 H 2.163 0.03 2 571 52 GLU HG2 H 2.261 0.03 2 572 52 GLU C C 173.668 0.3 1 573 53 ARG N N 115.834 0.3 1 574 53 ARG H H 8.706 0.03 1 575 53 ARG CA C 55.282 0.3 1 576 53 ARG HA H 4.245 0.03 1 577 53 ARG CB C 29.504 0.3 1 578 53 ARG HB3 H 1.836 0.03 1 579 53 ARG HB2 H 1.836 0.03 1 580 53 ARG CG C 27.158 0.3 1 581 53 ARG HG3 H 1.700 0.03 1 582 53 ARG HG2 H 1.700 0.03 1 583 53 ARG CD C 43.527 0.3 1 584 53 ARG HD3 H 3.224 0.03 1 585 53 ARG HD2 H 3.224 0.03 1 586 54 PRO CA C 65.365 0.3 1 587 54 PRO HA H 4.204 0.03 1 588 54 PRO CB C 31.167 0.3 1 589 54 PRO HB3 H 2.125 0.03 2 590 54 PRO HB2 H 2.069 0.03 2 591 54 PRO CG C 27.583 0.3 1 592 54 PRO HG3 H 2.040 0.03 2 593 54 PRO HG2 H 2.125 0.03 2 594 54 PRO CD C 50.721 0.3 1 595 54 PRO HD3 H 3.831 0.03 2 596 54 PRO HD2 H 3.610 0.03 2 597 54 PRO C C 178.183 0.3 1 598 55 GLU N N 118.335 0.3 1 599 55 GLU H H 9.829 0.03 1 600 55 GLU CA C 58.277 0.3 1 601 55 GLU HA H 4.625 0.03 1 602 55 GLU CB C 27.555 0.3 1 603 55 GLU HB3 H 2.083 0.03 2 604 55 GLU HB2 H 2.152 0.03 2 605 55 GLU CG C 35.630 0.3 1 606 55 GLU HG3 H 2.428 0.03 2 607 55 GLU HG2 H 2.147 0.03 2 608 55 GLU C C 177.239 0.3 1 609 56 LEU N N 119.843 0.3 1 610 56 LEU H H 7.910 0.03 1 611 56 LEU CA C 55.784 0.3 1 612 56 LEU HA H 4.285 0.03 1 613 56 LEU CB C 41.458 0.3 1 614 56 LEU HB3 H 1.917 0.03 2 615 56 LEU HB2 H 1.624 0.03 2 616 56 LEU CG C 27.792 0.3 1 617 56 LEU HG H 1.598 0.03 1 618 56 LEU CD1 C 25.616 0.3 1 619 56 LEU HD1 H 1.071 0.03 2 620 56 LEU CD2 C 22.089 0.3 1 621 56 LEU HD2 H 0.834 0.03 2 622 56 LEU C C 175.397 0.3 1 623 57 PHE N N 118.766 0.3 1 624 57 PHE H H 8.252 0.03 1 625 57 PHE CA C 58.782 0.3 1 626 57 PHE HA H 4.829 0.03 1 627 57 PHE CB C 44.616 0.3 1 628 57 PHE HB3 H 2.745 0.03 2 629 57 PHE HB2 H 2.894 0.03 2 630 57 PHE HD1 H 7.066 0.03 3 631 57 PHE C C 172.915 0.3 1 632 58 ILE N N 118.494 0.3 1 633 58 ILE H H 8.507 0.03 1 634 58 ILE CA C 58.571 0.3 1 635 58 ILE HA H 4.448 0.03 1 636 58 ILE CB C 40.925 0.3 1 637 58 ILE HB H 1.639 0.03 1 638 58 ILE CG1 C 27.683 0.3 1 639 58 ILE HG13 H 1.371 0.03 2 640 58 ILE HG12 H 1.211 0.03 4 641 58 ILE CD1 C 13.272 0.3 1 642 58 ILE HD1 H 0.842 0.03 1 643 58 ILE CG2 C 17.975 0.3 1 644 58 ILE HG2 H 0.782 0.03 1 645 58 ILE C C 175.863 0.3 1 646 59 GLN N N 126.488 0.3 1 647 59 GLN H H 8.335 0.03 1 648 59 GLN CA C 55.335 0.3 1 649 59 GLN HA H 4.437 0.03 1 650 59 GLN CB C 31.931 0.3 1 651 59 GLN HB3 H 1.760 0.03 2 652 59 GLN HB2 H 1.924 0.03 2 653 59 GLN CG C 34.189 0.3 1 654 59 GLN HG3 H 2.235 0.03 2 655 59 GLN HG2 H 2.197 0.03 2 656 59 GLN NE2 N 111.477 0.3 1 657 59 GLN HE21 H 7.597 0.03 2 658 59 GLN HE22 H 6.872 0.03 2 659 59 GLN C C 175.016 0.3 1 660 60 GLY N N 118.740 0.3 1 661 60 GLY H H 9.158 0.03 1 662 60 GLY CA C 47.086 0.3 1 663 60 GLY HA3 H 4.004 0.03 2 664 60 GLY HA2 H 3.625 0.03 2 665 61 ASP N N 125.931 0.3 1 666 61 ASP H H 8.712 0.03 1 667 61 ASP CA C 53.659 0.3 1 668 61 ASP HA H 4.553 0.03 1 669 61 ASP CB C 41.596 0.3 1 670 61 ASP HB3 H 2.735 0.03 2 671 61 ASP HB2 H 2.778 0.03 2 672 61 ASP CG C 176.989 0.3 1 673 61 ASP C C 173.923 0.3 1 674 62 SER N N 112.108 0.3 1 675 62 SER H H 7.703 0.03 1 676 62 SER CA C 54.067 0.3 1 677 62 SER HA H 4.960 0.03 1 678 62 SER CB C 65.150 0.3 1 679 62 SER HB3 H 3.812 0.03 2 680 62 SER HB2 H 4.015 0.03 2 681 62 SER C C 175.587 0.3 1 682 63 VAL N N 111.176 0.3 1 683 63 VAL H H 8.195 0.03 1 684 63 VAL CA C 59.982 0.3 1 685 63 VAL HA H 4.491 0.03 1 686 63 VAL CB C 33.293 0.3 1 687 63 VAL HB H 1.934 0.03 1 688 63 VAL CG2 C 23.146 0.3 1 689 63 VAL HG2 H 0.566 0.03 2 690 63 VAL CG1 C 18.556 0.3 1 691 63 VAL HG1 H 0.801 0.03 2 692 63 VAL C C 176.663 0.3 1 693 64 ARG N N 122.767 0.3 1 694 64 ARG H H 7.753 0.03 1 695 64 ARG CA C 54.538 0.3 1 696 64 ARG HA H 4.164 0.03 1 697 64 ARG CB C 29.764 0.3 1 698 64 ARG HB3 H 2.305 0.03 2 699 64 ARG HB2 H 1.866 0.03 2 700 64 ARG CG C 25.944 0.3 1 701 64 ARG HG3 H 1.552 0.03 2 702 64 ARG HG2 H 1.485 0.03 2 703 64 ARG CD C 43.835 0.3 1 704 64 ARG HD3 H 2.973 0.03 2 705 64 ARG HD2 H 3.192 0.03 2 706 65 PRO CA C 64.146 0.3 1 707 65 PRO HA H 4.406 0.03 1 708 65 PRO CB C 31.514 0.3 1 709 65 PRO HB3 H 2.352 0.03 2 710 65 PRO HB2 H 1.841 0.03 2 711 65 PRO CG C 28.124 0.3 1 712 65 PRO HG3 H 2.155 0.03 2 713 65 PRO HG2 H 2.071 0.03 2 714 65 PRO CD C 50.672 0.3 1 715 65 PRO HD3 H 3.610 0.03 2 716 65 PRO HD2 H 3.819 0.03 2 717 65 PRO C C 177.316 0.3 1 718 66 GLY N N 112.328 0.3 1 719 66 GLY H H 8.874 0.03 1 720 66 GLY CA C 44.559 0.3 1 721 66 GLY HA3 H 4.415 0.03 2 722 66 GLY HA2 H 3.548 0.03 2 723 66 GLY C C 174.561 0.3 1 724 67 ILE N N 122.573 0.3 1 725 67 ILE H H 7.897 0.03 1 726 67 ILE CA C 60.175 0.3 1 727 67 ILE HA H 4.819 0.03 1 728 67 ILE CB C 37.134 0.3 1 729 67 ILE HB H 2.063 0.03 1 730 67 ILE CG1 C 27.963 0.3 1 731 67 ILE HG13 H 1.600 0.03 4 732 67 ILE HG12 H 1.240 0.03 2 733 67 ILE CD1 C 12.251 0.3 1 734 67 ILE HD1 H 1.055 0.03 1 735 67 ILE CG2 C 17.333 0.3 1 736 67 ILE HG2 H 0.899 0.03 1 737 67 ILE C C 174.790 0.3 1 738 68 LEU N N 129.540 0.3 1 739 68 LEU H H 9.191 0.03 1 740 68 LEU CA C 53.888 0.3 1 741 68 LEU HA H 4.496 0.03 1 742 68 LEU CB C 42.927 0.3 1 743 68 LEU HB3 H 1.620 0.03 2 744 68 LEU HB2 H 1.528 0.03 2 745 68 LEU CG C 26.929 0.3 1 746 68 LEU HG H 1.664 0.03 1 747 68 LEU CD1 C 24.948 0.3 1 748 68 LEU HD1 H 0.338 0.03 2 749 68 LEU CD2 C 23.051 0.3 1 750 68 LEU HD2 H 0.866 0.03 2 751 68 LEU C C 175.501 0.3 1 752 69 VAL N N 120.593 0.3 1 753 69 VAL H H 7.228 0.03 1 754 69 VAL CA C 60.782 0.3 1 755 69 VAL HA H 4.394 0.03 1 756 69 VAL CB C 31.947 0.3 1 757 69 VAL HB H -0.105 0.03 1 758 69 VAL CG2 C 20.139 0.3 1 759 69 VAL HG2 H -0.233 0.03 2 760 69 VAL CG1 C 20.362 0.3 1 761 69 VAL HG1 H -0.130 0.03 2 762 69 VAL C C 174.833 0.3 1 763 70 LEU N N 127.514 0.3 1 764 70 LEU H H 8.907 0.03 1 765 70 LEU CA C 53.108 0.3 1 766 70 LEU HA H 5.063 0.03 1 767 70 LEU CB C 44.592 0.3 1 768 70 LEU HB3 H 1.593 0.03 2 769 70 LEU HB2 H 0.923 0.03 2 770 70 LEU CG C 28.175 0.3 1 771 70 LEU HG H 1.387 0.03 1 772 70 LEU CD1 C 25.155 0.3 1 773 70 LEU HD1 H 0.710 0.03 2 774 70 LEU CD2 C 24.509 0.3 1 775 70 LEU HD2 H 0.660 0.03 2 776 70 LEU C C 176.163 0.3 1 777 71 ILE N N 123.390 0.3 1 778 71 ILE H H 9.320 0.03 1 779 71 ILE CA C 59.821 0.3 1 780 71 ILE HA H 4.406 0.03 1 781 71 ILE CB C 38.755 0.3 1 782 71 ILE HB H 1.356 0.03 1 783 71 ILE CG1 C 27.332 0.3 1 784 71 ILE HG13 H 1.250 0.03 4 785 71 ILE HG12 H 0.620 0.03 4 786 71 ILE CD1 C 14.995 0.3 1 787 71 ILE HD1 H 0.548 0.03 1 788 71 ILE CG2 C 16.887 0.3 1 789 71 ILE HG2 H 0.305 0.03 1 790 71 ILE C C 176.049 0.3 1 791 72 ASN N N 128.221 0.3 1 792 72 ASN H H 9.763 0.03 1 793 72 ASN CA C 54.909 0.3 1 794 72 ASN HA H 4.291 0.03 1 795 72 ASN CB C 37.216 0.3 1 796 72 ASN HB3 H 2.748 0.03 2 797 72 ASN HB2 H 3.037 0.03 2 798 72 ASN ND2 N 117.731 0.3 1 799 72 ASN HD21 H 7.448 0.03 2 800 72 ASN HD22 H 7.393 0.03 2 801 72 ASN C C 174.987 0.3 1 802 73 ASP N N 108.488 0.3 1 803 73 ASP H H 8.874 0.03 1 804 73 ASP CA C 56.799 0.3 1 805 73 ASP HA H 3.980 0.03 1 806 73 ASP CB C 40.002 0.3 1 807 73 ASP HB3 H 2.980 0.03 2 808 73 ASP HB2 H 2.859 0.03 2 809 73 ASP C C 173.903 0.3 1 810 74 ALA N N 123.754 0.3 1 811 74 ALA H H 7.953 0.03 1 812 74 ALA CA C 50.554 0.3 1 813 74 ALA HA H 4.701 0.03 1 814 74 ALA CB C 21.133 0.3 1 815 74 ALA HB H 1.384 0.03 1 816 74 ALA C C 176.137 0.3 1 817 75 ASP N N 122.994 0.3 1 818 75 ASP H H 8.551 0.03 1 819 75 ASP CA C 55.491 0.3 1 820 75 ASP HA H 4.521 0.03 1 821 75 ASP CB C 42.198 0.3 1 822 75 ASP HB3 H 2.713 0.03 2 823 75 ASP HB2 H 2.880 0.03 2 824 75 ASP C C 178.648 0.3 1 825 76 TRP N N 125.440 0.3 1 826 76 TRP H H 8.793 0.03 1 827 76 TRP CA C 59.281 0.3 1 828 76 TRP HA H 4.364 0.03 1 829 76 TRP CB C 28.083 0.3 1 830 76 TRP HB3 H 3.404 0.03 2 831 76 TRP HB2 H 2.869 0.03 2 832 76 TRP HD1 H 7.262 0.03 1 833 76 TRP NE1 N 131.060 0.3 1 834 76 TRP HE1 H 10.487 0.03 3 835 76 TRP HZ2 H 7.184 0.03 3 836 76 TRP HE3 H 7.800 0.03 3 837 76 TRP C C 177.848 0.3 1 838 77 GLU N N 126.638 0.3 1 839 77 GLU H H 9.526 0.03 1 840 77 GLU CA C 59.546 0.3 1 841 77 GLU HA H 3.881 0.03 1 842 77 GLU CB C 29.160 0.3 1 843 77 GLU HB3 H 2.050 0.03 1 844 77 GLU HB2 H 2.050 0.03 1 845 77 GLU CG C 36.781 0.3 1 846 77 GLU HG3 H 2.457 0.03 2 847 77 GLU HG2 H 2.166 0.03 2 848 77 GLU C C 179.136 0.3 1 849 78 LEU N N 118.078 0.3 1 850 78 LEU H H 8.154 0.03 1 851 78 LEU CA C 55.915 0.3 1 852 78 LEU HA H 4.348 0.03 1 853 78 LEU CB C 41.948 0.3 1 854 78 LEU HB3 H 1.974 0.03 2 855 78 LEU HB2 H 1.700 0.03 2 856 78 LEU CG C 27.457 0.3 1 857 78 LEU HG H 1.780 0.03 1 858 78 LEU CD1 C 25.505 0.3 1 859 78 LEU HD1 H 1.069 0.03 2 860 78 LEU CD2 C 22.595 0.3 1 861 78 LEU HD2 H 0.937 0.03 2 862 78 LEU C C 178.239 0.3 1 863 79 LEU N N 117.648 0.3 1 864 79 LEU H H 7.270 0.03 1 865 79 LEU CA C 54.377 0.3 1 866 79 LEU HA H 4.661 0.03 1 867 79 LEU CB C 44.792 0.3 1 868 79 LEU HB3 H 2.082 0.03 2 869 79 LEU HB2 H 1.344 0.03 2 870 79 LEU CG C 26.486 0.3 1 871 79 LEU HG H 1.384 0.03 1 872 79 LEU CD1 C 26.486 0.3 1 873 79 LEU HD1 H 0.662 0.03 2 874 79 LEU CD2 C 22.909 0.3 1 875 79 LEU HD2 H 0.851 0.03 2 876 79 LEU C C 176.718 0.3 1 877 80 GLY N N 106.358 0.3 1 878 80 GLY H H 7.508 0.03 1 879 80 GLY CA C 44.948 0.3 1 880 80 GLY HA3 H 4.347 0.03 2 881 80 GLY HA2 H 3.624 0.03 2 882 80 GLY C C 174.335 0.3 1 883 81 GLU N N 120.190 0.3 1 884 81 GLU H H 8.167 0.03 1 885 81 GLU CA C 58.299 0.3 1 886 81 GLU HA H 2.685 0.03 1 887 81 GLU CB C 27.692 0.3 1 888 81 GLU HB3 H 1.412 0.03 2 889 81 GLU HB2 H 0.952 0.03 2 890 81 GLU CG C 34.948 0.3 1 891 81 GLU HG3 H 0.146 0.03 2 892 81 GLU HG2 H 1.164 0.03 2 893 81 GLU C C 175.659 0.3 1 894 82 LEU N N 121.855 0.3 1 895 82 LEU H H 7.682 0.03 1 896 82 LEU CA C 57.827 0.3 1 897 82 LEU HA H 4.039 0.03 1 898 82 LEU CB C 43.528 0.3 1 899 82 LEU HB3 H 1.378 0.03 2 900 82 LEU HB2 H 1.853 0.03 2 901 82 LEU CG C 26.242 0.3 1 902 82 LEU HG H 0.982 0.03 1 903 82 LEU CD1 C 26.242 0.3 1 904 82 LEU HD1 H 0.982 0.03 2 905 82 LEU CD2 C 23.589 0.3 1 906 82 LEU HD2 H 1.311 0.03 2 907 82 LEU C C 174.978 0.3 1 908 83 ASP N N 111.805 0.3 1 909 83 ASP H H 7.720 0.03 1 910 83 ASP CA C 54.374 0.3 1 911 83 ASP HA H 4.709 0.03 1 912 83 ASP CB C 41.759 0.3 1 913 83 ASP HB3 H 2.590 0.03 2 914 83 ASP HB2 H 2.951 0.03 2 915 83 ASP C C 176.865 0.3 1 916 84 TYR N N 123.398 0.3 1 917 84 TYR H H 7.597 0.03 1 918 84 TYR CA C 60.337 0.3 1 919 84 TYR HA H 4.171 0.03 1 920 84 TYR CB C 36.915 0.3 1 921 84 TYR HB3 H 2.862 0.03 2 922 84 TYR HB2 H 3.056 0.03 2 923 84 TYR HD1 H 7.087 0.03 3 924 84 TYR HE1 H 7.178 0.03 3 925 84 TYR C C 174.473 0.3 1 926 85 GLN N N 126.764 0.3 1 927 85 GLN H H 7.623 0.03 1 928 85 GLN CA C 54.970 0.3 1 929 85 GLN HA H 4.319 0.03 1 930 85 GLN CB C 27.771 0.3 1 931 85 GLN HB3 H 1.720 0.03 2 932 85 GLN HB2 H 1.858 0.03 2 933 85 GLN CG C 34.328 0.3 1 934 85 GLN HG3 H 2.586 0.03 2 935 85 GLN HG2 H 2.120 0.03 2 936 85 GLN NE2 N 111.617 0.3 1 937 85 GLN HE21 H 7.736 0.03 2 938 85 GLN HE22 H 6.816 0.03 2 939 85 GLN C C 174.315 0.3 1 940 86 LEU N N 121.855 0.3 1 941 86 LEU H H 7.608 0.03 1 942 86 LEU CA C 55.479 0.3 1 943 86 LEU HA H 4.083 0.03 1 944 86 LEU CB C 43.360 0.3 1 945 86 LEU HB3 H 1.211 0.03 2 946 86 LEU HB2 H 1.550 0.03 2 947 86 LEU CG C 27.909 0.3 1 948 86 LEU HG H 1.622 0.03 1 949 86 LEU CD1 C 24.512 0.3 1 950 86 LEU HD1 H 1.074 0.03 2 951 86 LEU CD2 C 27.392 0.3 1 952 86 LEU HD2 H 0.869 0.03 2 953 86 LEU C C 175.779 0.3 1 954 87 GLN N N 120.093 0.3 1 955 87 GLN H H 8.749 0.03 1 956 87 GLN CA C 52.741 0.3 1 957 87 GLN HA H 4.430 0.03 1 958 87 GLN CB C 31.076 0.3 1 959 87 GLN HB3 H 2.086 0.03 2 960 87 GLN HB2 H 2.023 0.03 2 961 87 GLN CG C 33.791 0.3 1 962 87 GLN HG3 H 2.491 0.03 2 963 87 GLN HG2 H 2.372 0.03 2 964 87 GLN NE2 N 114.176 0.3 1 965 87 GLN HE21 H 7.222 0.03 2 966 87 GLN HE22 H 6.829 0.03 2 967 87 GLN C C 174.885 0.3 1 968 88 ASP N N 120.657 0.3 1 969 88 ASP H H 8.563 0.03 1 970 88 ASP CA C 56.898 0.3 1 971 88 ASP HA H 4.291 0.03 1 972 88 ASP CB C 41.830 0.3 1 973 88 ASP HB3 H 2.510 0.03 2 974 88 ASP HB2 H 2.705 0.03 2 975 88 ASP C C 177.477 0.3 1 976 89 GLN N N 116.496 0.3 1 977 89 GLN H H 9.302 0.03 1 978 89 GLN CA C 57.486 0.3 1 979 89 GLN HA H 3.616 0.03 1 980 89 GLN CB C 25.486 0.3 1 981 89 GLN HB3 H 2.340 0.03 2 982 89 GLN HB2 H 2.438 0.03 2 983 89 GLN CG C 33.208 0.3 1 984 89 GLN HG3 H 2.328 0.03 2 985 89 GLN HG2 H 2.238 0.03 2 986 89 GLN NE2 N 113.581 0.3 1 987 89 GLN HE21 H 6.696 0.03 2 988 89 GLN HE22 H 7.692 0.03 2 989 89 GLN C C 175.266 0.3 1 990 90 ASP N N 121.078 0.3 1 991 90 ASP H H 8.237 0.03 1 992 90 ASP CA C 56.298 0.3 1 993 90 ASP HA H 4.774 0.03 1 994 90 ASP CB C 42.212 0.3 1 995 90 ASP HB3 H 2.350 0.03 2 996 90 ASP HB2 H 2.926 0.03 2 997 90 ASP C C 174.875 0.3 1 998 91 SER N N 113.447 0.3 1 999 91 SER H H 8.261 0.03 1 1000 91 SER CA C 55.983 0.3 1 1001 91 SER HA H 5.292 0.03 1 1002 91 SER CB C 64.279 0.3 1 1003 91 SER HB3 H 3.827 0.03 2 1004 91 SER HB2 H 3.667 0.03 2 1005 91 SER C C 173.320 0.3 1 1006 92 ILE N N 128.291 0.3 1 1007 92 ILE H H 9.136 0.03 1 1008 92 ILE CA C 59.601 0.3 1 1009 92 ILE HA H 4.651 0.03 1 1010 92 ILE CB C 39.176 0.3 1 1011 92 ILE HB H 1.677 0.03 1 1012 92 ILE CG1 C 28.528 0.3 1 1013 92 ILE HG13 H 1.121 0.03 4 1014 92 ILE HG12 H 1.078 0.03 4 1015 92 ILE CD1 C 14.386 0.3 1 1016 92 ILE HD1 H 0.710 0.03 1 1017 92 ILE CG2 C 19.675 0.3 1 1018 92 ILE HG2 H 0.173 0.03 1 1019 92 ILE C C 173.108 0.3 1 1020 93 LEU N N 131.115 0.3 1 1021 93 LEU H H 8.907 0.03 1 1022 93 LEU CA C 52.995 0.3 1 1023 93 LEU HA H 4.969 0.03 1 1024 93 LEU CB C 45.123 0.3 1 1025 93 LEU HB3 H 1.550 0.03 2 1026 93 LEU HB2 H 1.235 0.03 2 1027 93 LEU CG C 27.871 0.3 1 1028 93 LEU HG H 1.247 0.03 1 1029 93 LEU CD1 C 26.226 0.3 1 1030 93 LEU HD1 H 0.736 0.03 2 1031 93 LEU CD2 C 22.934 0.3 1 1032 93 LEU HD2 H 0.619 0.03 2 1033 93 LEU C C 173.621 0.3 1 1034 94 PHE N N 122.469 0.3 1 1035 94 PHE H H 8.779 0.03 1 1036 94 PHE CA C 55.816 0.3 1 1037 94 PHE HA H 5.426 0.03 1 1038 94 PHE CB C 41.216 0.3 1 1039 94 PHE HB3 H 2.889 0.03 2 1040 94 PHE HB2 H 3.423 0.03 2 1041 94 PHE HD1 H 6.899 0.03 3 1042 94 PHE C C 175.015 0.3 1 1043 95 ILE N N 121.608 0.3 1 1044 95 ILE H H 9.095 0.03 1 1045 95 ILE CA C 58.794 0.3 1 1046 95 ILE HA H 4.603 0.03 1 1047 95 ILE CB C 41.203 0.3 1 1048 95 ILE HB H 1.691 0.03 1 1049 95 ILE CG1 C 27.162 0.3 1 1050 95 ILE HG13 H 1.369 0.03 2 1051 95 ILE HG12 H 0.909 0.03 4 1052 95 ILE CD1 C 13.173 0.3 1 1053 95 ILE HD1 H 0.782 0.03 1 1054 95 ILE CG2 C 17.051 0.3 1 1055 95 ILE HG2 H 0.825 0.03 1 1056 95 ILE C C 175.949 0.3 1 1057 96 SER N N 119.668 0.3 1 1058 96 SER H H 8.116 0.03 1 1059 96 SER CA C 58.091 0.3 1 1060 96 SER HA H 4.948 0.03 1 1061 96 SER CB C 63.919 0.3 1 1062 96 SER HB3 H 3.870 0.03 2 1063 96 SER HB2 H 4.000 0.03 2 1064 96 SER C C 174.895 0.3 1 1065 97 THR N N 116.096 0.3 1 1066 97 THR H H 8.127 0.03 1 1067 97 THR CA C 61.628 0.3 1 1068 97 THR HA H 4.678 0.03 1 1069 97 THR CB C 70.100 0.3 1 1070 97 THR HB H 4.460 0.03 1 1071 97 THR CG2 C 21.242 0.3 1 1072 97 THR HG2 H 1.265 0.03 1 1073 97 THR C C 174.799 0.3 1 1074 98 LEU N N 122.618 0.3 1 1075 98 LEU H H 8.190 0.03 1 1076 98 LEU CA C 55.784 0.3 1 1077 98 LEU HA H 4.371 0.03 1 1078 98 LEU CB C 42.500 0.3 1 1079 98 LEU HB3 H 1.547 0.03 1 1080 98 LEU HB2 H 1.547 0.03 1 1081 98 LEU CG C 27.192 0.3 1 1082 98 LEU HG H 1.595 0.03 1 1083 98 LEU CD1 C 24.746 0.3 1 1084 98 LEU HD1 H 0.916 0.03 2 1085 98 LEU CD2 C 23.549 0.3 1 1086 98 LEU HD2 H 0.908 0.03 2 1087 98 LEU C C 177.189 0.3 1 1088 99 HIS N N 120.764 0.3 1 1089 99 HIS H H 8.516 0.03 1 1090 99 HIS CA C 56.558 0.3 1 1091 99 HIS HA H 4.686 0.03 1 1092 99 HIS CB C 30.606 0.3 1 1093 99 HIS HB3 H 3.152 0.03 2 1094 99 HIS HB2 H 3.269 0.03 2 1095 99 HIS C C 175.594 0.3 1 1096 100 GLY N N 110.707 0.3 1 1097 100 GLY H H 8.351 0.03 1 1098 100 GLY CA C 45.599 0.3 1 1099 100 GLY HA3 H 3.957 0.03 1 1100 100 GLY HA2 H 3.957 0.03 1 1101 100 GLY C C 173.647 0.3 1 1102 101 GLY N N 115.296 0.3 1 1103 101 GLY H H 7.924 0.03 1 1104 101 GLY CA C 46.170 0.3 1 1105 101 GLY HA3 H 3.779 0.03 1 1106 101 GLY HA2 H 3.779 0.03 1 stop_ save_