data_421 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H Nuclear Magnetic Resonance Assignments and Secondary Structure of Porcine C5ades Arg ; _BMRB_accession_number 421 _BMRB_flat_file_name bmr421.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-03-25 _Entry_origination BMRB _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 Williamson Michael P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 328 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-11 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Williamson, Michael P., "1H Nuclear Magnetic Resonance Assignments and Secondary Structure of Porcine C5ades Arg," J. Mol. Biol. 206, 407-410 (1989). ; _Citation_title ; 1H Nuclear Magnetic Resonance Assignments and Secondary Structure of Porcine C5ades Arg ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Williamson Michael P. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 206 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 407 _Page_last 410 _Year 1989 _Details . save_ ################################## # Molecular system description # ################################## save_system_complement_protein_C5a _Saveframe_category molecular_system _Mol_system_name 'complement protein C5a' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'complement protein C5a' $complement_protein_C5a stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_complement_protein_C5a _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'complement protein C5a' _Name_variant 'C5a des arg' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 73 _Mol_residue_sequence ; MLQKKIEEEAAKYKYAMLKK CCYDGAYRNDDETCEERAAR IKIGPKCVKAFKDCCYIANQ VRAEESHKNIQLG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LEU 3 GLN 4 LYS 5 LYS 6 ILE 7 GLU 8 GLU 9 GLU 10 ALA 11 ALA 12 LYS 13 TYR 14 LYS 15 TYR 16 ALA 17 MET 18 LEU 19 LYS 20 LYS 21 CYS 22 CYS 23 TYR 24 ASP 25 GLY 26 ALA 27 TYR 28 ARG 29 ASN 30 ASP 31 ASP 32 GLU 33 THR 34 CYS 35 GLU 36 GLU 37 ARG 38 ALA 39 ALA 40 ARG 41 ILE 42 LYS 43 ILE 44 GLY 45 PRO 46 LYS 47 CYS 48 VAL 49 LYS 50 ALA 51 PHE 52 LYS 53 ASP 54 CYS 55 CYS 56 TYR 57 ILE 58 ALA 59 ASN 60 GLN 61 VAL 62 ARG 63 ALA 64 GLU 65 GLU 66 SER 67 HIS 68 LYS 69 ASN 70 ILE 71 GLN 72 LEU 73 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-06 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 PDB 1C5A "Three-Dimensional Structure Of Porcine C5adesArg From 1h Nuclear Magnetic Resonance Data" 100.00 73 98.63 100.00 1.96e-43 GB AAQ97591 "complement component C5 [Sus scrofa]" 100.00 1677 100.00 100.00 1.22e-43 PRF 1004262A:PDB=1C5A "complement C5a,des-Arg" 100.00 73 100.00 100.00 8.04e-44 REF NP_001001646 "complement C5 precursor [Sus scrofa]" 100.00 1677 100.00 100.00 1.22e-43 SP P01032 "RecName: Full=Complement C5a anaphylatoxin" 100.00 74 98.63 100.00 1.81e-43 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Fraction $complement_protein_C5a pig 9823 Eukaryota Metazoa Sus scrofa generic serum 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 $complement_protein_C5a 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.1 . na temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _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_citation_label _Correction_value_citation_label TSP H . . ppm 0 . . . . . $entry_citation $entry_citation 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_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name 'complement protein C5a' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 MET HB2 H 2.16 . 1 2 . 1 MET HB3 H 2.16 . 1 3 . 2 LEU H H 7.99 . 1 4 . 2 LEU HA H 4.24 . 1 5 . 2 LEU HG H 1.16 . 1 6 . 2 LEU HD1 H .91 . 2 7 . 2 LEU HD2 H .85 . 2 8 . 3 GLN H H 8.64 . 1 9 . 3 GLN HA H 4.42 . 1 10 . 3 GLN HB2 H 1.66 . 1 11 . 3 GLN HB3 H 1.66 . 1 12 . 4 LYS H H 7.78 . 1 13 . 4 LYS HA H 3.97 . 1 14 . 5 LYS H H 8.29 . 1 15 . 5 LYS HA H 4.13 . 1 16 . 5 LYS HB2 H 1.96 . 2 17 . 5 LYS HB3 H 1.74 . 2 18 . 6 ILE H H 7.8 . 1 19 . 6 ILE HA H 3.85 . 1 20 . 6 ILE HB H 2.19 . 1 21 . 6 ILE HG12 H 1.61 . 2 22 . 6 ILE HG13 H 1.44 . 2 23 . 6 ILE HG2 H .89 . 1 24 . 6 ILE HD1 H .81 . 1 25 . 7 GLU H H 8.15 . 1 26 . 7 GLU HA H 4.32 . 1 27 . 7 GLU HB2 H 2.19 . 1 28 . 7 GLU HB3 H 2.19 . 1 29 . 8 GLU H H 8.25 . 1 30 . 8 GLU HA H 4.04 . 1 31 . 8 GLU HB2 H 2.21 . 1 32 . 8 GLU HB3 H 2.21 . 1 33 . 9 GLU H H 7.73 . 1 34 . 9 GLU HA H 4.13 . 1 35 . 9 GLU HB2 H 2.04 . 2 36 . 9 GLU HB3 H 1.94 . 2 37 . 10 ALA H H 8.65 . 1 38 . 10 ALA HA H 4.11 . 1 39 . 10 ALA HB H 1.35 . 1 40 . 11 ALA H H 7.58 . 1 41 . 11 ALA HA H 4 . 1 42 . 11 ALA HB H 1.48 . 1 43 . 12 LYS H H 7.41 . 1 44 . 12 LYS HA H 3.93 . 1 45 . 12 LYS HB2 H 1.51 . 1 46 . 12 LYS HB3 H 1.51 . 1 47 . 13 TYR H H 7.46 . 1 48 . 13 TYR HA H 4.56 . 1 49 . 13 TYR HB2 H 2.8 . 1 50 . 13 TYR HB3 H 2.8 . 1 51 . 13 TYR HD1 H 7.19 . 1 52 . 13 TYR HD2 H 7.19 . 1 53 . 13 TYR HE1 H 6.8 . 1 54 . 13 TYR HE2 H 6.8 . 1 55 . 14 LYS H H 8.34 . 1 56 . 14 LYS HA H 4.4 . 1 57 . 15 TYR H H 7.46 . 1 58 . 15 TYR HA H 4.63 . 1 59 . 15 TYR HB2 H 3.43 . 2 60 . 15 TYR HB3 H 2.72 . 2 61 . 15 TYR HD1 H 7.32 . 1 62 . 15 TYR HD2 H 7.32 . 1 63 . 15 TYR HE1 H 6.98 . 1 64 . 15 TYR HE2 H 6.98 . 1 65 . 16 ALA H H 9.12 . 1 66 . 16 ALA HA H 3.95 . 1 67 . 16 ALA HB H 1.56 . 1 68 . 17 MET H H 8.79 . 1 69 . 17 MET HA H 4.22 . 1 70 . 17 MET HB2 H 1.91 . 1 71 . 17 MET HB3 H 1.91 . 1 72 . 18 LEU H H 6.91 . 1 73 . 18 LEU HA H 3.97 . 1 74 . 18 LEU HB2 H 1.93 . 2 75 . 18 LEU HB3 H 1.11 . 2 76 . 18 LEU HG H 1.77 . 1 77 . 18 LEU HD1 H .81 . 2 78 . 18 LEU HD2 H .74 . 2 79 . 19 LYS H H 7.7 . 1 80 . 19 LYS HA H 3.52 . 1 81 . 19 LYS HB2 H 1.92 . 1 82 . 19 LYS HB3 H 1.92 . 1 83 . 20 LYS H H 7.72 . 1 84 . 20 LYS HA H 3.97 . 1 85 . 20 LYS HB2 H 2.04 . 2 86 . 20 LYS HB3 H 1.91 . 2 87 . 21 CYS H H 7.87 . 1 88 . 21 CYS HA H 4.39 . 1 89 . 21 CYS HB2 H 3.54 . 2 90 . 21 CYS HB3 H 3.37 . 2 91 . 22 CYS H H 7.5 . 1 92 . 22 CYS HA H 4 . 1 93 . 22 CYS HB2 H 3.19 . 2 94 . 22 CYS HB3 H 2.82 . 2 95 . 23 TYR H H 8.47 . 1 96 . 23 TYR HA H 4.08 . 1 97 . 23 TYR HB2 H 3.1 . 2 98 . 23 TYR HB3 H 2.97 . 2 99 . 23 TYR HD1 H 6.97 . 1 100 . 23 TYR HD2 H 6.97 . 1 101 . 23 TYR HE1 H 6.64 . 1 102 . 23 TYR HE2 H 6.64 . 1 103 . 24 ASP H H 8.86 . 1 104 . 24 ASP HA H 4.43 . 1 105 . 24 ASP HB2 H 3.24 . 2 106 . 24 ASP HB3 H 2.99 . 2 107 . 25 GLY H H 7.64 . 1 108 . 25 GLY HA2 H 2.85 . 1 109 . 25 GLY HA3 H 2.85 . 1 110 . 26 ALA H H 7.56 . 1 111 . 26 ALA HA H 3.95 . 1 112 . 26 ALA HB H 1.26 . 1 113 . 27 TYR H H 7.41 . 1 114 . 27 TYR HA H 4.67 . 1 115 . 27 TYR HB2 H 2.81 . 1 116 . 27 TYR HB3 H 2.81 . 1 117 . 27 TYR HD1 H 7.19 . 1 118 . 27 TYR HD2 H 7.19 . 1 119 . 27 TYR HE1 H 6.8 . 1 120 . 27 TYR HE2 H 6.8 . 1 121 . 28 ARG H H 8.43 . 1 122 . 28 ARG HA H 4.34 . 1 123 . 28 ARG HB2 H 1.96 . 1 124 . 28 ARG HB3 H 1.96 . 1 125 . 29 ASN H H 8.39 . 1 126 . 29 ASN HA H 4.37 . 1 127 . 29 ASN HB2 H 3.34 . 1 128 . 29 ASN HB3 H 3.34 . 1 129 . 30 ASP H H 8.69 . 1 130 . 30 ASP HA H 4.64 . 1 131 . 30 ASP HB2 H 2.58 . 1 132 . 30 ASP HB3 H 2.58 . 1 133 . 31 ASP H H 8.79 . 1 134 . 31 ASP HA H 4.22 . 1 135 . 31 ASP HB2 H 2.57 . 2 136 . 31 ASP HB3 H 2.21 . 2 137 . 32 GLU H H 7.64 . 1 138 . 32 GLU HA H 4.19 . 1 139 . 32 GLU HB2 H 2.17 . 1 140 . 32 GLU HB3 H 2.17 . 1 141 . 33 THR H H 8.13 . 1 142 . 33 THR HA H 4.52 . 1 143 . 33 THR HB H 4.9 . 1 144 . 33 THR HG2 H 1.37 . 1 145 . 34 CYS H H 9.14 . 1 146 . 34 CYS HA H 4.51 . 1 147 . 34 CYS HB2 H 2.8 . 2 148 . 34 CYS HB3 H 2.56 . 2 149 . 35 GLU H H 8.59 . 1 150 . 35 GLU HA H 3.98 . 1 151 . 35 GLU HB2 H 2.15 . 2 152 . 35 GLU HB3 H 2.02 . 2 153 . 36 GLU H H 7.79 . 1 154 . 36 GLU HA H 4.01 . 1 155 . 36 GLU HB2 H 2.5 . 2 156 . 36 GLU HB3 H 2.24 . 2 157 . 37 ARG H H 8.26 . 1 158 . 37 ARG HA H 3.96 . 1 159 . 37 ARG HB2 H 1.91 . 2 160 . 37 ARG HB3 H 1.76 . 2 161 . 38 ALA H H 8.24 . 1 162 . 38 ALA HA H 3.3 . 1 163 . 38 ALA HB H 1.42 . 1 164 . 39 ALA H H 7.28 . 1 165 . 39 ALA HA H 4.12 . 1 166 . 39 ALA HB H 1.44 . 1 167 . 40 ARG H H 7.01 . 1 168 . 40 ARG HA H 4.24 . 1 169 . 40 ARG HB2 H 1.73 . 2 170 . 40 ARG HB3 H 1.64 . 2 171 . 41 ILE H H 7.2 . 1 172 . 41 ILE HA H 3.85 . 1 173 . 41 ILE HB H 1.95 . 1 174 . 41 ILE HG12 H 1.03 . 2 175 . 41 ILE HG13 H .92 . 2 176 . 41 ILE HG2 H .73 . 1 177 . 41 ILE HD1 H .35 . 1 178 . 42 LYS H H 8.96 . 1 179 . 42 LYS HA H 4.51 . 1 180 . 42 LYS HB2 H 1.78 . 2 181 . 42 LYS HB3 H 1.67 . 2 182 . 43 ILE H H 6.76 . 1 183 . 43 ILE HA H 4.16 . 1 184 . 43 ILE HB H 1.91 . 1 185 . 43 ILE HG12 H 1.6 . 2 186 . 43 ILE HG13 H 1.38 . 2 187 . 43 ILE HG2 H .96 . 1 188 . 43 ILE HD1 H .91 . 1 189 . 44 GLY H H 7.65 . 1 190 . 44 GLY HA2 H 4.7 . 2 191 . 44 GLY HA3 H 3.85 . 2 192 . 45 PRO HA H 4.37 . 1 193 . 45 PRO HB2 H 1.85 . 2 194 . 45 PRO HB3 H 1.68 . 2 195 . 45 PRO HG2 H 2.11 . 1 196 . 45 PRO HG3 H 2.11 . 1 197 . 45 PRO HD2 H 3.85 . 2 198 . 45 PRO HD3 H 3.59 . 2 199 . 46 LYS H H 8.57 . 1 200 . 46 LYS HA H 4.19 . 1 201 . 46 LYS HB2 H 1.95 . 2 202 . 46 LYS HB3 H 1.86 . 2 203 . 47 CYS H H 7.82 . 1 204 . 47 CYS HA H 4.18 . 1 205 . 47 CYS HB2 H 3.03 . 2 206 . 47 CYS HB3 H 2.89 . 2 207 . 48 VAL H H 7.88 . 1 208 . 48 VAL HA H 3.4 . 1 209 . 48 VAL HB H 2.13 . 1 210 . 48 VAL HG1 H .97 . 2 211 . 48 VAL HG2 H .94 . 2 212 . 49 LYS H H 7.86 . 1 213 . 49 LYS HA H 3.98 . 1 214 . 49 LYS HB2 H 2.03 . 2 215 . 49 LYS HB3 H 1.94 . 2 216 . 50 ALA H H 7.6 . 1 217 . 50 ALA HA H 4.22 . 1 218 . 50 ALA HB H .93 . 1 219 . 51 PHE H H 8.79 . 1 220 . 51 PHE HA H 4.14 . 1 221 . 51 PHE HB2 H 3.35 . 2 222 . 51 PHE HB3 H 2.89 . 2 223 . 51 PHE HD1 H 7.14 . 1 224 . 51 PHE HD2 H 7.14 . 1 225 . 51 PHE HE1 H 7.24 . 1 226 . 51 PHE HE2 H 7.24 . 1 227 . 51 PHE HZ H 7.23 . 1 228 . 52 LYS H H 8.95 . 1 229 . 52 LYS HA H 3.58 . 1 230 . 52 LYS HB2 H 1.94 . 1 231 . 52 LYS HB3 H 1.94 . 1 232 . 53 ASP H H 8.29 . 1 233 . 53 ASP HA H 4.48 . 1 234 . 53 ASP HB2 H 3.09 . 2 235 . 53 ASP HB3 H 2.88 . 2 236 . 54 CYS H H 8.03 . 1 237 . 54 CYS HA H 3.82 . 1 238 . 54 CYS HB2 H 3.11 . 2 239 . 54 CYS HB3 H 2.86 . 2 240 . 55 CYS H H 8.57 . 1 241 . 55 CYS HA H 3.94 . 1 242 . 55 CYS HB2 H 2.87 . 2 243 . 55 CYS HB3 H 2.63 . 2 244 . 56 TYR H H 8.54 . 1 245 . 56 TYR HA H 4.38 . 1 246 . 56 TYR HB2 H 3.19 . 1 247 . 56 TYR HB3 H 3.19 . 1 248 . 56 TYR HD1 H 7.33 . 1 249 . 56 TYR HD2 H 7.33 . 1 250 . 56 TYR HE1 H 6.83 . 1 251 . 56 TYR HE2 H 6.83 . 1 252 . 57 ILE H H 7.78 . 1 253 . 57 ILE HA H 3.76 . 1 254 . 57 ILE HB H 1.71 . 1 255 . 57 ILE HG12 H 1.76 . 2 256 . 57 ILE HG13 H 1.26 . 2 257 . 57 ILE HG2 H .75 . 1 258 . 57 ILE HD1 H .78 . 1 259 . 58 ALA H H 8.44 . 1 260 . 58 ALA HA H 4.04 . 1 261 . 58 ALA HB H 1.6 . 1 262 . 59 ASN H H 8.03 . 1 263 . 59 ASN HA H 4.42 . 1 264 . 59 ASN HB2 H 3.02 . 2 265 . 59 ASN HB3 H 2.89 . 2 266 . 60 GLN H H 8.06 . 1 267 . 60 GLN HA H 4.14 . 1 268 . 60 GLN HB2 H 2.2 . 1 269 . 60 GLN HB3 H 2.2 . 1 270 . 61 VAL H H 8.38 . 1 271 . 61 VAL HA H 3.78 . 1 272 . 61 VAL HB H 2.2 . 1 273 . 61 VAL HG1 H 1.04 . 2 274 . 61 VAL HG2 H .94 . 2 275 . 62 ARG H H 8.17 . 1 276 . 62 ARG HA H 4.23 . 1 277 . 62 ARG HB2 H 1.94 . 2 278 . 62 ARG HB3 H 1.84 . 2 279 . 63 ALA H H 7.92 . 1 280 . 63 ALA HA H 4.26 . 1 281 . 63 ALA HB H 1.46 . 1 282 . 64 GLU H H 7.95 . 1 283 . 64 GLU HA H 4.21 . 1 284 . 64 GLU HB2 H 2.18 . 1 285 . 64 GLU HB3 H 2.18 . 1 286 . 65 GLU H H 8.06 . 1 287 . 65 GLU HA H 4.25 . 1 288 . 65 GLU HB2 H 2.19 . 2 289 . 65 GLU HB3 H 2.02 . 2 290 . 66 SER H H 7.92 . 1 291 . 66 SER HA H 4.43 . 1 292 . 66 SER HB2 H 4.01 . 2 293 . 66 SER HB3 H 3.92 . 2 294 . 67 HIS H H 8.18 . 1 295 . 67 HIS HA H 4.71 . 1 296 . 67 HIS HB2 H 3.32 . 2 297 . 67 HIS HB3 H 3.26 . 2 298 . 67 HIS HD2 H 7.31 . 1 299 . 67 HIS HE1 H 8.63 . 1 300 . 68 LYS H H 8.79 . 1 301 . 68 LYS HA H 4.17 . 1 302 . 68 LYS HB2 H 1.67 . 1 303 . 68 LYS HB3 H 1.67 . 1 304 . 69 ASN H H 8.64 . 1 305 . 69 ASN HA H 4.17 . 1 306 . 69 ASN HB2 H 2.49 . 2 307 . 69 ASN HB3 H 2.04 . 2 308 . 70 ILE H H 8.04 . 1 309 . 70 ILE HA H 4.18 . 1 310 . 70 ILE HB H 1.89 . 1 311 . 70 ILE HG12 H 1.42 . 2 312 . 70 ILE HG13 H 1.16 . 2 313 . 70 ILE HG2 H .91 . 1 314 . 70 ILE HD1 H .83 . 1 315 . 71 GLN H H 8.18 . 1 316 . 71 GLN HA H 4.26 . 1 317 . 71 GLN HB2 H 1.92 . 2 318 . 71 GLN HB3 H 1.76 . 2 319 . 72 LEU H H 8.26 . 1 320 . 72 LEU HA H 4.38 . 1 321 . 72 LEU HB2 H 1.66 . 2 322 . 72 LEU HB3 H 1.35 . 2 323 . 72 LEU HG H 1.43 . 1 324 . 72 LEU HD1 H .9 . 2 325 . 72 LEU HD2 H .83 . 2 326 . 73 GLY H H 8.16 . 1 327 . 73 GLY HA2 H 4.44 . 2 328 . 73 GLY HA3 H 3.89 . 2 stop_ save_