data_4397 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the CX3C Chemokine Domain of Fractalkine ; _BMRB_accession_number 4397 _BMRB_flat_file_name bmr4397.str _Entry_type original _Submission_date 1999-09-09 _Accession_date 1999-09-09 _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 Handel T. M. . 2 Mizoue L. S. . 3 Bazan J. F. . 4 Johnson E. C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 428 "13C chemical shifts" 257 "15N chemical shifts" 91 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-11-21 original BMRB . stop_ _Original_release_date 1999-09-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Mizoue, L. S., Bazan, J. F., Johnson, E. C., and Handel, T. M., "Solution Structure and Dynamics of the CX3C Chemokine Domain of Fractalkine and Its Interaction with an N-Terminal Fragment of CX3CR1," Biochemistry 38, 1402-1414 (1999). ; _Citation_title ; Solution Structure and Dynamics of the CX3C Chemokine Domain of Fractalkine and Its Interaction with an N-Terminal Fragment of CX3CR1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 99129937 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mizoue L. S. . 2 Bazan J. F. . 3 Johnson E. C. . 4 Handel T. M. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 38 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1402 _Page_last 1414 _Year 1999 _Details . loop_ _Keyword chemokine stop_ save_ ################################## # Molecular system description # ################################## save_system_fractalkine _Saveframe_category molecular_system _Mol_system_name fractalkine _Abbreviation_common FKN _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label fractalkine $fractalkine stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'fully oxidized' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_fractalkine _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common fractalkine _Name_variant none _Abbreviation_common FKN _Molecular_mass . _Mol_thiol_state 'fully oxidized' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 77 _Mol_residue_sequence ; MQHHGVTKCNITCSKMTSKI PVALLIHYQQNQASCGKRAI ILETRQHRLFCADPKEQWVK DAMQHLDRQAAALTRNG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 HIS 4 HIS 5 GLY 6 VAL 7 THR 8 LYS 9 CYS 10 ASN 11 ILE 12 THR 13 CYS 14 SER 15 LYS 16 MET 17 THR 18 SER 19 LYS 20 ILE 21 PRO 22 VAL 23 ALA 24 LEU 25 LEU 26 ILE 27 HIS 28 TYR 29 GLN 30 GLN 31 ASN 32 GLN 33 ALA 34 SER 35 CYS 36 GLY 37 LYS 38 ARG 39 ALA 40 ILE 41 ILE 42 LEU 43 GLU 44 THR 45 ARG 46 GLN 47 HIS 48 ARG 49 LEU 50 PHE 51 CYS 52 ALA 53 ASP 54 PRO 55 LYS 56 GLU 57 GLN 58 TRP 59 VAL 60 LYS 61 ASP 62 ALA 63 MET 64 GLN 65 HIS 66 LEU 67 ASP 68 ARG 69 GLN 70 ALA 71 ALA 72 ALA 73 LEU 74 THR 75 ARG 76 ASN 77 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $fractalkine 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_type _Vector_name $fractalkine 'recombinant technology' 'Escherichia coli' Escherichia coli BL21 plasmid pLysS 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 $fractalkine 1.6 mM '[U-15N; U-13C]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-edited_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY' _Sample_label . save_ save_3D_13C-edited_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited NOESY' _Sample_label . save_ save_4D_13C/13C-edited_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C/13C-edited NOESY' _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.0 0.1 n/a pressure 1 . atm temperature 295.5 0.5 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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 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_assigned_chemical_shifts_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 15N-edited NOESY' '3D 13C-edited NOESY' '4D 13C/13C-edited NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name fractalkine _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 4.07 . 1 2 . 1 MET HB3 H 2.07 . 1 3 . 1 MET CA C 54.94 . 1 4 . 1 MET CB C 32.82 . 1 5 . 1 MET CG C 30.63 . 1 6 . 1 MET HG2 H 2.50 . 1 7 . 1 MET HG3 H 2.43 . 1 8 . 1 MET CE C 16.71 . 1 9 . 1 MET HE H 2.04 . 1 10 . 2 GLN H H 8.76 . 1 11 . 2 GLN HA H 4.29 . 1 12 . 2 GLN HB2 H 1.90 . 2 13 . 2 GLN N N 123.21 . 1 14 . 2 GLN CA C 55.71 . 1 15 . 2 GLN CB C 29.67 . 1 16 . 2 GLN CG C 33.57 . 1 17 . 2 GLN NE2 N 112.40 . 1 18 . 2 GLN HE21 H 7.51 . 1 19 . 2 GLN HE22 H 6.86 . 1 20 . 2 GLN HG2 H 2.27 . 2 21 . 3 HIS H H 8.70 . 1 22 . 3 HIS HA H 4.60 . 1 23 . 3 HIS HB2 H 3.15 . 1 24 . 3 HIS HB3 H 3.07 . 1 25 . 3 HIS N N 120.64 . 1 26 . 3 HIS CA C 55.37 . 1 27 . 3 HIS CB C 29.39 . 1 28 . 3 HIS CD2 C 119.53 . 1 29 . 3 HIS HD2 H 7.21 . 1 30 . 3 HIS HE1 H 8.46 . 1 31 . 4 HIS H H 8.62 . 1 32 . 4 HIS HA H 4.68 . 1 33 . 4 HIS HB2 H 3.22 . 1 34 . 4 HIS HB3 H 3.11 . 1 35 . 4 HIS N N 120.67 . 1 36 . 4 HIS CA C 55.28 . 1 37 . 4 HIS CB C 29.47 . 1 38 . 4 HIS CD2 C 120.06 . 1 39 . 4 HIS HD2 H 7.23 . 1 40 . 4 HIS HE1 H 8.49 . 1 41 . 5 GLY H H 8.51 . 1 42 . 5 GLY HA2 H 3.98 . 2 43 . 5 GLY HA3 H 3.91 . 2 44 . 5 GLY N N 110.79 . 1 45 . 5 GLY CA C 45.00 . 1 46 . 6 VAL H H 8.15 . 1 47 . 6 VAL HA H 4.17 . 1 48 . 6 VAL HB H 2.03 . 1 49 . 6 VAL N N 119.58 . 1 50 . 6 VAL CA C 62.08 . 1 51 . 6 VAL CB C 32.94 . 1 52 . 6 VAL CG1 C 21.12 . 1 53 . 6 VAL HG1 H 0.88 . 1 54 . 6 VAL CG2 C 20.36 . 1 55 . 6 VAL HG2 H 0.88 . 1 56 . 7 THR H H 8.34 . 1 57 . 7 THR HA H 4.27 . 1 58 . 7 THR HB H 4.06 . 1 59 . 7 THR N N 119.94 . 1 60 . 7 THR CA C 61.88 . 1 61 . 7 THR CB C 69.84 . 1 62 . 7 THR CG2 C 21.56 . 1 63 . 7 THR HG2 H 1.11 . 1 64 . 8 LYS H H 8.40 . 1 65 . 8 LYS HA H 4.25 . 1 66 . 8 LYS HB2 H 1.72 . 1 67 . 8 LYS HB3 H 1.66 . 1 68 . 8 LYS N N 125.09 . 1 69 . 8 LYS CA C 55.97 . 1 70 . 8 LYS CB C 33.14 . 1 71 . 8 LYS CG C 24.56 . 1 72 . 8 LYS CD C 29.01 . 1 73 . 8 LYS CE C 42.08 . 1 74 . 8 LYS HG2 H 1.29 . 2 75 . 8 LYS HD2 H 1.60 . 2 76 . 8 LYS HE2 H 2.91 . 2 77 . 9 CYS H H 8.48 . 1 78 . 9 CYS HA H 4.60 . 1 79 . 9 CYS HB2 H 2.93 . 1 80 . 9 CYS HB3 H 2.63 . 1 81 . 9 CYS N N 121.65 . 1 82 . 9 CYS CA C 55.37 . 1 83 . 9 CYS CB C 41.12 . 1 84 . 10 ASN H H 9.15 . 1 85 . 10 ASN HA H 4.45 . 1 86 . 10 ASN HB2 H 2.71 . 2 87 . 10 ASN N N 124.75 . 1 88 . 10 ASN CA C 55.10 . 1 89 . 10 ASN CB C 38.11 . 1 90 . 10 ASN ND2 N 112.16 . 1 91 . 10 ASN HD21 H 7.59 . 1 92 . 10 ASN HD22 H 6.86 . 1 93 . 11 ILE H H 7.69 . 1 94 . 11 ILE HA H 4.23 . 1 95 . 11 ILE HB H 1.73 . 1 96 . 11 ILE N N 117.16 . 1 97 . 11 ILE CA C 60.29 . 1 98 . 11 ILE CB C 40.63 . 1 99 . 11 ILE CG1 C 28.43 . 1 100 . 11 ILE HG12 H 1.45 . 1 101 . 11 ILE HG13 H 0.83 . 1 102 . 11 ILE CG2 C 16.09 . 1 103 . 11 ILE HG2 H 0.72 . 1 104 . 11 ILE CD1 C 14.98 . 1 105 . 11 ILE HD1 H 0.75 . 1 106 . 12 THR H H 8.20 . 1 107 . 12 THR HA H 4.49 . 1 108 . 12 THR HB H 3.90 . 1 109 . 12 THR N N 120.25 . 1 110 . 12 THR CA C 61.12 . 1 111 . 12 THR CB C 69.60 . 1 112 . 12 THR CG2 C 21.05 . 1 113 . 12 THR HG2 H 1.01 . 1 114 . 13 CYS H H 8.20 . 1 115 . 13 CYS HA H 5.06 . 1 116 . 13 CYS HB2 H 2.63 . 1 117 . 13 CYS HB3 H 3.03 . 1 118 . 13 CYS N N 122.84 . 1 119 . 13 CYS CA C 53.11 . 1 120 . 13 CYS CB C 39.86 . 1 121 . 14 SER H H 9.32 . 1 122 . 14 SER HA H 4.38 . 1 123 . 14 SER HB2 H 3.83 . 2 124 . 14 SER N N 120.66 . 1 125 . 14 SER CA C 59.21 . 1 126 . 14 SER CB C 63.72 . 1 127 . 15 LYS H H 8.10 . 1 128 . 15 LYS HA H 4.48 . 1 129 . 15 LYS HB2 H 1.84 . 1 130 . 15 LYS HB3 H 1.78 . 1 131 . 15 LYS N N 122.55 . 1 132 . 15 LYS CA C 55.63 . 1 133 . 15 LYS CB C 34.19 . 1 134 . 15 LYS CG C 24.57 . 1 135 . 15 LYS CD C 29.17 . 1 136 . 15 LYS CE C 42.18 . 1 137 . 15 LYS HG2 H 1.42 . 2 138 . 15 LYS HD2 H 1.70 . 2 139 . 15 LYS HE2 H 3.01 . 2 140 . 16 MET H H 8.82 . 1 141 . 16 MET HA H 4.82 . 1 142 . 16 MET HB2 H 2.28 . 1 143 . 16 MET HB3 H 2.15 . 1 144 . 16 MET N N 123.67 . 1 145 . 16 MET CA C 53.20 . 1 146 . 16 MET CB C 33.25 . 1 147 . 16 MET CG C 33.64 . 1 148 . 16 MET HG2 H 2.87 . 1 149 . 16 MET HG3 H 2.55 . 1 150 . 16 MET CE C 19.32 . 1 151 . 16 MET HE H 1.92 . 1 152 . 17 THR H H 9.07 . 1 153 . 17 THR HA H 4.47 . 1 154 . 17 THR HB H 4.30 . 1 155 . 17 THR N N 118.07 . 1 156 . 17 THR CA C 62.11 . 1 157 . 17 THR CB C 69.41 . 1 158 . 17 THR CG2 C 19.91 . 1 159 . 17 THR HG2 H 1.40 . 1 160 . 18 SER H H 7.79 . 1 161 . 18 SER HA H 4.54 . 1 162 . 18 SER HB2 H 3.81 . 2 163 . 18 SER N N 120.26 . 1 164 . 18 SER CA C 58.32 . 1 165 . 18 SER CB C 63.82 . 1 166 . 19 LYS H H 7.51 . 1 167 . 19 LYS HA H 0.68 . 1 168 . 19 LYS HB2 H 0.77 . 1 169 . 19 LYS HB3 H 0.44 . 1 170 . 19 LYS N N 117.99 . 1 171 . 19 LYS CA C 57.87 . 1 172 . 19 LYS CB C 32.52 . 1 173 . 19 LYS CG C 23.81 . 1 174 . 19 LYS HG2 H 0.38 . 1 175 . 19 LYS HG3 H 0.19 . 1 176 . 19 LYS CD C 29.58 . 1 177 . 19 LYS HD2 H 1.29 . 1 178 . 19 LYS HD3 H 1.26 . 1 179 . 19 LYS CE C 41.81 . 1 180 . 19 LYS HE2 H 2.75 . 2 181 . 20 ILE H H 5.33 . 1 182 . 20 ILE HA H 4.14 . 1 183 . 20 ILE HB H 1.32 . 1 184 . 20 ILE N N 128.06 . 1 185 . 20 ILE CA C 57.26 . 1 186 . 20 ILE CB C 42.58 . 1 187 . 20 ILE CG1 C 26.48 . 1 188 . 20 ILE HG12 H 1.46 . 1 189 . 20 ILE HG13 H 0.53 . 1 190 . 20 ILE CG2 C 16.30 . 1 191 . 20 ILE HG2 H 0.75 . 1 192 . 20 ILE CD1 C 13.62 . 1 193 . 20 ILE HD1 H 0.25 . 1 194 . 21 PRO HA H 4.12 . 1 195 . 21 PRO HB2 H 2.27 . 2 196 . 21 PRO HB3 H 1.76 . 2 197 . 21 PRO CA C 62.97 . 1 198 . 21 PRO CB C 32.26 . 1 199 . 21 PRO CG C 27.58 . 1 200 . 21 PRO HG2 H 1.98 . 1 201 . 21 PRO HG3 H 1.81 . 1 202 . 21 PRO CD C 51.28 . 1 203 . 21 PRO HD3 H 3.60 . 1 204 . 21 PRO HD2 H 3.44 . 1 205 . 22 VAL H H 8.04 . 1 206 . 22 VAL HA H 3.68 . 1 207 . 22 VAL HB H 1.93 . 1 208 . 22 VAL N N 123.09 . 1 209 . 22 VAL CA C 65.29 . 1 210 . 22 VAL CB C 31.53 . 1 211 . 22 VAL CG1 C 21.75 . 1 212 . 22 VAL HG1 H 0.80 . 1 213 . 22 VAL CG2 C 20.50 . 1 214 . 22 VAL HG2 H 0.72 . 1 215 . 23 ALA H H 8.43 . 1 216 . 23 ALA HA H 4.17 . 1 217 . 23 ALA HB H 1.34 . 1 218 . 23 ALA N N 121.58 . 1 219 . 23 ALA CA C 54.05 . 1 220 . 23 ALA CB C 18.55 . 1 221 . 24 LEU H H 7.74 . 1 222 . 24 LEU HA H 4.25 . 1 223 . 24 LEU HB2 H 1.71 . 2 224 . 24 LEU N N 115.01 . 1 225 . 24 LEU CA C 54.80 . 1 226 . 24 LEU CB C 42.75 . 1 227 . 24 LEU CG C 27.45 . 1 228 . 24 LEU HG H 1.62 . 1 229 . 24 LEU CD1 C 24.81 . 1 230 . 24 LEU HD1 H 0.88 . 1 231 . 24 LEU CD2 C 22.73 . 1 232 . 24 LEU HD2 H 0.82 . 1 233 . 25 LEU H H 7.70 . 1 234 . 25 LEU HA H 4.68 . 1 235 . 25 LEU HB2 H 2.16 . 1 236 . 25 LEU HB3 H 1.29 . 1 237 . 25 LEU N N 118.19 . 1 238 . 25 LEU CA C 54.46 . 1 239 . 25 LEU CB C 44.53 . 1 240 . 25 LEU CG C 25.97 . 1 241 . 25 LEU HG H 1.92 . 1 242 . 25 LEU CD1 C 27.08 . 1 243 . 25 LEU HD1 H 0.99 . 1 244 . 25 LEU CD2 C 24.36 . 1 245 . 25 LEU HD2 H 0.80 . 1 246 . 26 ILE H H 8.82 . 1 247 . 26 ILE HA H 4.68 . 1 248 . 26 ILE HB H 1.77 . 1 249 . 26 ILE N N 110.12 . 1 250 . 26 ILE CA C 60.83 . 1 251 . 26 ILE CB C 41.19 . 1 252 . 26 ILE CG1 C 25.76 . 1 253 . 26 ILE HG12 H 1.07 . 1 254 . 26 ILE HG13 H 0.62 . 1 255 . 26 ILE CG2 C 18.00 . 1 256 . 26 ILE HG2 H 0.73 . 1 257 . 26 ILE CD1 C 14.33 . 1 258 . 26 ILE HD1 H 0.70 . 1 259 . 27 HIS H H 7.67 . 1 260 . 27 HIS HA H 5.00 . 1 261 . 27 HIS HB2 H 3.35 . 1 262 . 27 HIS HB3 H 3.14 . 1 263 . 27 HIS N N 118.05 . 1 264 . 27 HIS CA C 55.70 . 1 265 . 27 HIS CB C 32.49 . 1 266 . 27 HIS CD2 C 120.70 . 1 267 . 27 HIS HD2 H 7.31 . 1 268 . 27 HIS HE1 H 8.54 . 1 269 . 28 TYR H H 7.85 . 1 270 . 28 TYR HA H 5.90 . 1 271 . 28 TYR HB2 H 2.56 . 1 272 . 28 TYR HB3 H 2.82 . 1 273 . 28 TYR N N 118.89 . 1 274 . 28 TYR CA C 56.07 . 1 275 . 28 TYR CB C 42.20 . 1 276 . 28 TYR CD1 C 132.31 . 3 277 . 28 TYR HD1 H 6.71 . 3 278 . 28 TYR CE1 C 118.72 . 3 279 . 28 TYR HE1 H 6.82 . 3 280 . 29 GLN H H 8.70 . 1 281 . 29 GLN HA H 4.48 . 1 282 . 29 GLN HB2 H 2.00 . 2 283 . 29 GLN N N 115.63 . 1 284 . 29 GLN CA C 54.53 . 1 285 . 29 GLN CB C 32.91 . 1 286 . 29 GLN CG C 33.04 . 1 287 . 29 GLN HG2 H 2.29 . 1 288 . 29 GLN HG3 H 2.15 . 1 289 . 29 GLN NE2 N 112.48 . 1 290 . 29 GLN HE21 H 7.5 . 1 291 . 29 GLN HE22 H 6.86 . 1 292 . 30 GLN H H 9.09 . 1 293 . 30 GLN HA H 4.51 . 1 294 . 30 GLN HB2 H 2.17 . 1 295 . 30 GLN HB3 H 1.99 . 1 296 . 30 GLN N N 122.20 . 1 297 . 30 GLN CA C 56.68 . 1 298 . 30 GLN CB C 29.22 . 1 299 . 30 GLN CG C 33.49 . 1 300 . 30 GLN NE2 N 111.28 . 1 301 . 30 GLN HE21 H 7.62 . 1 302 . 30 GLN HE22 H 6.72 . 1 303 . 30 GLN HG2 H 2.47 . 2 304 . 31 ASN H H 8.69 . 1 305 . 31 ASN HA H 4.73 . 1 306 . 31 ASN HB2 H 2.82 . 1 307 . 31 ASN HB3 H 2.70 . 1 308 . 31 ASN N N 121.58 . 1 309 . 31 ASN CA C 52.85 . 1 310 . 31 ASN CB C 38.96 . 1 311 . 31 ASN ND2 N 111.40 . 1 312 . 31 ASN HD21 H 7.30 . 1 313 . 31 ASN HD22 H 6.78 . 1 314 . 32 GLN H H 7.98 . 1 315 . 32 GLN HA H 4.24 . 1 316 . 32 GLN HB2 H 2.20 . 1 317 . 32 GLN HB3 H 1.98 . 1 318 . 32 GLN N N 123.66 . 1 319 . 32 GLN CA C 56.04 . 1 320 . 32 GLN CB C 30.34 . 1 321 . 32 GLN CG C 34.33 . 1 322 . 32 GLN NE2 N 112.94 . 1 323 . 32 GLN HE21 H 7.55 . 1 324 . 32 GLN HE22 H 6.89 . 1 325 . 32 GLN HG2 H 2.45 . 2 326 . 33 ALA H H 8.76 . 1 327 . 33 ALA HA H 4.10 . 1 328 . 33 ALA HB H 1.42 . 1 329 . 33 ALA N N 125.72 . 1 330 . 33 ALA CA C 54.34 . 1 331 . 33 ALA CB C 18.51 . 1 332 . 34 SER H H 8.06 . 1 333 . 34 SER HA H 4.35 . 1 334 . 34 SER HB2 H 3.98 . 1 335 . 34 SER HB3 H 3.90 . 1 336 . 34 SER N N 110.05 . 1 337 . 34 SER CA C 59.22 . 1 338 . 34 SER CB C 62.77 . 1 339 . 35 CYS H H 7.63 . 1 340 . 35 CYS HA H 5.03 . 1 341 . 35 CYS HB2 H 3.82 . 1 342 . 35 CYS HB3 H 2.99 . 1 343 . 35 CYS N N 119.74 . 1 344 . 35 CYS CA C 53.34 . 1 345 . 35 CYS CB C 39.05 . 1 346 . 36 GLY H H 8.34 . 1 347 . 36 GLY HA2 H 4.28 . 2 348 . 36 GLY HA3 H 3.66 . 2 349 . 36 GLY N N 112.13 . 1 350 . 36 GLY CA C 45.01 . 1 351 . 37 LYS H H 8.03 . 1 352 . 37 LYS HA H 4.05 . 1 353 . 37 LYS HB2 H 1.67 . 1 354 . 37 LYS HB3 H 1.35 . 1 355 . 37 LYS N N 122.43 . 1 356 . 37 LYS CA C 56.30 . 1 357 . 37 LYS CB C 33.68 . 1 358 . 37 LYS CG C 25.19 . 1 359 . 37 LYS HG2 H 1.47 . 1 360 . 37 LYS HG3 H 1.42 . 1 361 . 37 LYS CD C 29.27 . 1 362 . 37 LYS CE C 42.16 . 1 363 . 37 LYS HD2 H 1.57 . 2 364 . 37 LYS HE2 H 2.99 . 2 365 . 38 ARG H H 8.31 . 1 366 . 38 ARG HA H 4.18 . 1 367 . 38 ARG HB2 H 1.72 . 2 368 . 38 ARG N N 122.60 . 1 369 . 38 ARG CA C 57.02 . 1 370 . 38 ARG CB C 29.52 . 1 371 . 38 ARG CG C 27.03 . 1 372 . 38 ARG CD C 43.24 . 1 373 . 38 ARG NE N 84.70 . 1 374 . 38 ARG HE H 7.22 . 1 375 . 38 ARG HG2 H 1.54 . 2 376 . 38 ARG HD2 H 3.19 . 2 377 . 39 ALA H H 7.82 . 1 378 . 39 ALA HA H 4.64 . 1 379 . 39 ALA HB H 1.37 . 1 380 . 39 ALA N N 123.77 . 1 381 . 39 ALA CA C 51.44 . 1 382 . 39 ALA CB C 23.43 . 1 383 . 40 ILE H H 9.04 . 1 384 . 40 ILE HA H 4.49 . 1 385 . 40 ILE HB H 1.70 . 1 386 . 40 ILE N N 119.42 . 1 387 . 40 ILE CA C 57.76 . 1 388 . 40 ILE CB C 37.91 . 1 389 . 40 ILE CG1 C 26.44 . 1 390 . 40 ILE CG2 C 18.15 . 1 391 . 40 ILE HG2 H 0.72 . 1 392 . 40 ILE CD1 C 9.83 . 1 393 . 40 ILE HD1 H 0.67 . 1 394 . 40 ILE HG12 H 1.27 . 2 395 . 41 ILE H H 9.35 . 1 396 . 41 ILE HA H 4.92 . 1 397 . 41 ILE HB H 1.98 . 1 398 . 41 ILE N N 126.18 . 1 399 . 41 ILE CA C 58.68 . 1 400 . 41 ILE CB C 36.75 . 1 401 . 41 ILE CG1 C 26.79 . 1 402 . 41 ILE HG12 H 1.38 . 1 403 . 41 ILE HG13 H 1.24 . 1 404 . 41 ILE CG2 C 18.91 . 1 405 . 41 ILE HG2 H 0.83 . 1 406 . 41 ILE CD1 C 12.02 . 1 407 . 41 ILE HD1 H 0.75 . 1 408 . 42 LEU H H 9.41 . 1 409 . 42 LEU HA H 4.98 . 1 410 . 42 LEU HB2 H 1.49 . 1 411 . 42 LEU HB3 H 1.83 . 1 412 . 42 LEU N N 128.33 . 1 413 . 42 LEU CA C 53.19 . 1 414 . 42 LEU CB C 44.65 . 1 415 . 42 LEU CG C 26.30 . 1 416 . 42 LEU HG H 1.66 . 1 417 . 42 LEU CD1 C 27.92 . 1 418 . 42 LEU HD1 H 0.85 . 1 419 . 42 LEU CD2 C 22.89 . 1 420 . 42 LEU HD2 H 0.75 . 1 421 . 43 GLU H H 8.55 . 1 422 . 43 GLU HA H 5.63 . 1 423 . 43 GLU HB2 H 1.96 . 1 424 . 43 GLU HB3 H 1.77 . 1 425 . 43 GLU N N 121.80 . 1 426 . 43 GLU CA C 53.65 . 1 427 . 43 GLU CB C 33.22 . 1 428 . 43 GLU CG C 36.02 . 1 429 . 43 GLU HG2 H 2.72 . 1 430 . 43 GLU HG3 H 2.09 . 1 431 . 44 THR H H 8.95 . 1 432 . 44 THR HA H 5.45 . 1 433 . 44 THR HB H 4.86 . 1 434 . 44 THR N N 116.31 . 1 435 . 44 THR CA C 60.17 . 1 436 . 44 THR CB C 72.38 . 1 437 . 44 THR CG2 C 22.40 . 1 438 . 44 THR HG2 H 1.35 . 1 439 . 45 ARG H H 8.65 . 1 440 . 45 ARG HA H 3.77 . 1 441 . 45 ARG HB2 H 1.79 . 2 442 . 45 ARG N N 119.04 . 1 443 . 45 ARG CA C 58.81 . 1 444 . 45 ARG CB C 30.10 . 1 445 . 45 ARG CG C 27.97 . 1 446 . 45 ARG CD C 43.26 . 1 447 . 45 ARG NE N 83.54 . 1 448 . 45 ARG HE H 7.20 . 1 449 . 45 ARG HG2 H 1.58 . 2 450 . 45 ARG HD2 H 3.19 . 2 451 . 46 GLN H H 7.40 . 1 452 . 46 GLN HA H 4.27 . 1 453 . 46 GLN HB2 H 2.31 . 1 454 . 46 GLN HB3 H 1.79 . 1 455 . 46 GLN N N 114.52 . 1 456 . 46 GLN CA C 55.86 . 1 457 . 46 GLN CB C 27.99 . 1 458 . 46 GLN CG C 34.58 . 1 459 . 46 GLN HG2 H 2.42 . 1 460 . 46 GLN HG3 H 2.36 . 1 461 . 46 GLN NE2 N 112.23 . 1 462 . 46 GLN HE21 H 7.5 . 1 463 . 46 GLN HE22 H 6.74 . 1 464 . 47 HIS H H 8.40 . 1 465 . 47 HIS HA H 4.40 . 1 466 . 47 HIS HB2 H 3.33 . 1 467 . 47 HIS HB3 H 3.60 . 1 468 . 47 HIS N N 112.84 . 1 469 . 47 HIS CA C 56.84 . 1 470 . 47 HIS CB C 24.65 . 1 471 . 47 HIS CD2 C 120.20 . 1 472 . 47 HIS HD2 H 7.18 . 1 473 . 47 HIS HE1 H 8.49 . 1 474 . 48 ARG H H 7.07 . 1 475 . 48 ARG HA H 4.41 . 1 476 . 48 ARG HB2 H 1.72 . 1 477 . 48 ARG HB3 H 1.61 . 1 478 . 48 ARG N N 117.72 . 1 479 . 48 ARG CA C 55.07 . 1 480 . 48 ARG CB C 31.44 . 1 481 . 48 ARG CG C 27.55 . 1 482 . 48 ARG HG2 H 1.55 . 1 483 . 48 ARG HG3 H 1.39 . 1 484 . 48 ARG CD C 43.06 . 1 485 . 48 ARG NE N 84.82 . 1 486 . 48 ARG HE H 7.08 . 1 487 . 48 ARG HD2 H 3.16 . 2 488 . 49 LEU H H 7.85 . 1 489 . 49 LEU HA H 5.46 . 1 490 . 49 LEU HB2 H 1.02 . 1 491 . 49 LEU HB3 H 1.57 . 1 492 . 49 LEU N N 120.47 . 1 493 . 49 LEU CA C 53.16 . 1 494 . 49 LEU CB C 44.11 . 1 495 . 49 LEU CG C 26.87 . 1 496 . 49 LEU HG H 1.55 . 1 497 . 49 LEU CD1 C 25.33 . 1 498 . 49 LEU HD1 H 0.75 . 1 499 . 49 LEU CD2 C 22.43 . 1 500 . 49 LEU HD2 H 0.68 . 1 501 . 50 PHE H H 8.98 . 1 502 . 50 PHE HA H 4.69 . 1 503 . 50 PHE HB2 H 3.10 . 1 504 . 50 PHE HB3 H 2.56 . 1 505 . 50 PHE N N 117.68 . 1 506 . 50 PHE CA C 56.87 . 1 507 . 50 PHE CB C 44.39 . 1 508 . 50 PHE CD1 C 131.90 . 3 509 . 50 PHE HD1 H 7.14 . 3 510 . 50 PHE CE1 C 131.26 . 3 511 . 50 PHE HE1 H 7.22 . 3 512 . 51 CYS H H 9.22 . 1 513 . 51 CYS HA H 5.11 . 1 514 . 51 CYS HB2 H 2.53 . 1 515 . 51 CYS HB3 H 3.72 . 1 516 . 51 CYS N N 120.65 . 1 517 . 51 CYS CA C 57.17 . 1 518 . 51 CYS CB C 45.77 . 1 519 . 52 ALA H H 9.81 . 1 520 . 52 ALA HA H 4.85 . 1 521 . 52 ALA HB H 1.08 . 1 522 . 52 ALA N N 127.41 . 1 523 . 52 ALA CA C 50.35 . 1 524 . 52 ALA CB C 24.30 . 1 525 . 53 ASP H H 8.68 . 1 526 . 53 ASP HA H 4.76 . 1 527 . 53 ASP HB2 H 3.05 . 1 528 . 53 ASP HB3 H 2.45 . 1 529 . 53 ASP N N 122.93 . 1 530 . 53 ASP CA C 51.07 . 1 531 . 53 ASP CB C 42.70 . 1 532 . 54 PRO HA H 3.91 . 1 533 . 54 PRO HB2 H 2.01 . 2 534 . 54 PRO HB3 H 1.88 . 2 535 . 54 PRO CA C 63.65 . 1 536 . 54 PRO CB C 31.99 . 1 537 . 54 PRO CG C 26.60 . 1 538 . 54 PRO CD C 50.82 . 1 539 . 54 PRO HG2 H 1.80 . 2 540 . 54 PRO HD2 H 4.05 . 2 541 . 55 LYS H H 8.20 . 1 542 . 55 LYS HA H 3.99 . 1 543 . 55 LYS HB2 H 1.72 . 2 544 . 55 LYS N N 115.31 . 1 545 . 55 LYS CA C 57.07 . 1 546 . 55 LYS CB C 32.28 . 1 547 . 55 LYS CG C 25.02 . 1 548 . 55 LYS CD C 29.01 . 1 549 . 55 LYS CE C 41.70 . 1 550 . 55 LYS HG2 H 1.34 . 2 551 . 55 LYS HD2 H 1.63 . 2 552 . 55 LYS HE2 H 2.96 . 2 553 . 56 GLU H H 7.56 . 1 554 . 56 GLU HA H 4.15 . 1 555 . 56 GLU HB2 H 1.97 . 1 556 . 56 GLU HB3 H 1.79 . 1 557 . 56 GLU N N 119.24 . 1 558 . 56 GLU CA C 56.24 . 1 559 . 56 GLU CB C 30.40 . 1 560 . 56 GLU CG C 37.10 . 1 561 . 56 GLU HG2 H 2.46 . 1 562 . 56 GLU HG3 H 2.25 . 1 563 . 57 GLN H H 9.02 . 1 564 . 57 GLN HA H 3.61 . 1 565 . 57 GLN HB2 H 2.13 . 1 566 . 57 GLN HB3 H 2.26 . 1 567 . 57 GLN N N 126.11 . 1 568 . 57 GLN CA C 59.09 . 1 569 . 57 GLN CB C 27.78 . 1 570 . 57 GLN CG C 33.15 . 1 571 . 57 GLN NE2 N 116.68 . 1 572 . 57 GLN HE21 H 7.93 . 1 573 . 57 GLN HE22 H 6.96 . 1 574 . 57 GLN HG2 H 2.40 . 2 575 . 58 TRP H H 8.96 . 1 576 . 58 TRP HA H 4.45 . 1 577 . 58 TRP HB2 H 3.21 . 1 578 . 58 TRP HB3 H 3.50 . 1 579 . 58 TRP N N 115.75 . 1 580 . 58 TRP CA C 59.53 . 1 581 . 58 TRP CB C 26.45 . 1 582 . 58 TRP CD1 C 128.40 . 1 583 . 58 TRP HD1 H 7.62 . 1 584 . 58 TRP NE1 N 130.80 . 1 585 . 58 TRP HE1 H 10.31 . 1 586 . 58 TRP CE3 C 121.49 . 1 587 . 58 TRP HE3 H 7.32 . 1 588 . 58 TRP CZ2 C 116.16 . 1 589 . 58 TRP HZ2 H 7.32 . 1 590 . 58 TRP CZ3 C 119.67 . 1 591 . 58 TRP HZ3 H 6.67 . 1 592 . 58 TRP CH2 C 124.21 . 1 593 . 58 TRP HH2 H 6.57 . 1 594 . 59 VAL H H 6.18 . 1 595 . 59 VAL HA H 2.56 . 1 596 . 59 VAL HB H 1.71 . 1 597 . 59 VAL N N 125.63 . 1 598 . 59 VAL CA C 65.60 . 1 599 . 59 VAL CB C 30.77 . 1 600 . 59 VAL CG1 C 21.19 . 1 601 . 59 VAL HG1 H 0.22 . 1 602 . 59 VAL CG2 C 21.90 . 1 603 . 60 LYS H H 7.30 . 1 604 . 60 LYS HA H 3.79 . 1 605 . 60 LYS HB2 H 1.78 . 1 606 . 60 LYS HB3 H 1.72 . 1 607 . 60 LYS N N 120.90 . 1 608 . 60 LYS CA C 60.14 . 1 609 . 60 LYS CB C 31.99 . 1 610 . 60 LYS CG C 25.14 . 1 611 . 60 LYS HG2 H 1.37 . 1 612 . 60 LYS HG3 H 1.19 . 1 613 . 60 LYS CD C 29.73 . 1 614 . 60 LYS HD2 H 1.55 . 1 615 . 60 LYS HD3 H 1.41 . 1 616 . 60 LYS CE C 41.93 . 1 617 . 60 LYS HE2 H 2.80 . 2 618 . 61 ASP H H 8.70 . 1 619 . 61 ASP HA H 4.30 . 1 620 . 61 ASP HB2 H 2.72 . 1 621 . 61 ASP HB3 H 2.67 . 1 622 . 61 ASP N N 119.28 . 1 623 . 61 ASP CA C 57.15 . 1 624 . 61 ASP CB C 40.19 . 1 625 . 62 ALA H H 8.07 . 1 626 . 62 ALA HA H 4.01 . 1 627 . 62 ALA HB H 1.42 . 1 628 . 62 ALA N N 124.99 . 1 629 . 62 ALA CA C 55.57 . 1 630 . 62 ALA CB C 17.21 . 1 631 . 63 MET H H 8.24 . 1 632 . 63 MET HA H 3.36 . 1 633 . 63 MET HB2 H 1.51 . 1 634 . 63 MET HB3 H 1.86 . 1 635 . 63 MET N N 116.83 . 1 636 . 63 MET CA C 59.83 . 1 637 . 63 MET CB C 33.82 . 1 638 . 63 MET CG C 29.71 . 1 639 . 63 MET HG2 H 2.03 . 1 640 . 63 MET HG3 H 0.43 . 1 641 . 63 MET CE C 15.66 . 1 642 . 63 MET HE H 1.75 . 1 643 . 64 GLN H H 7.71 . 1 644 . 64 GLN HA H 4.06 . 1 645 . 64 GLN HB2 H 2.13 . 2 646 . 64 GLN N N 116.69 . 1 647 . 64 GLN CA C 59.20 . 1 648 . 64 GLN CB C 28.58 . 1 649 . 64 GLN CG C 34.17 . 1 650 . 64 GLN HG2 H 2.51 . 1 651 . 64 GLN HG3 H 2.31 . 1 652 . 64 GLN NE2 N 111.71 . 1 653 . 64 GLN HE21 H 7.4 . 1 654 . 64 GLN HE22 H 6.85 . 1 655 . 65 HIS H H 8.13 . 1 656 . 65 HIS HA H 4.19 . 1 657 . 65 HIS HB2 H 3.35 . 1 658 . 65 HIS HB3 H 3.28 . 1 659 . 65 HIS N N 117.95 . 1 660 . 65 HIS CA C 59.70 . 1 661 . 65 HIS CB C 29.08 . 1 662 . 65 HIS CD2 C 119.61 . 1 663 . 65 HIS HD2 H 6.93 . 1 664 . 65 HIS HE1 H 8.30 . 1 665 . 66 LEU H H 8.53 . 1 666 . 66 LEU HA H 4.03 . 1 667 . 66 LEU HB2 H 1.69 . 1 668 . 66 LEU HB3 H 2.11 . 1 669 . 66 LEU N N 120.72 . 1 670 . 66 LEU CA C 58.06 . 1 671 . 66 LEU CB C 41.22 . 1 672 . 66 LEU CG C 27.86 . 1 673 . 66 LEU HG H 1.87 . 1 674 . 66 LEU CD1 C 26.04 . 1 675 . 66 LEU HD1 H 0.82 . 1 676 . 66 LEU CD2 C 22.69 . 1 677 . 66 LEU HD2 H 0.76 . 1 678 . 67 ASP H H 8.92 . 1 679 . 67 ASP HA H 4.53 . 1 680 . 67 ASP HB2 H 2.68 . 1 681 . 67 ASP HB3 H 2.89 . 1 682 . 67 ASP N N 122.12 . 1 683 . 67 ASP CA C 57.20 . 1 684 . 67 ASP CB C 39.81 . 1 685 . 68 ARG H H 7.92 . 1 686 . 68 ARG HA H 4.12 . 1 687 . 68 ARG HB2 H 1.88 . 2 688 . 68 ARG N N 120.26 . 1 689 . 68 ARG CA C 58.62 . 1 690 . 68 ARG CB C 29.98 . 1 691 . 68 ARG CG C 27.59 . 1 692 . 68 ARG HG2 H 1.81 . 1 693 . 68 ARG HG3 H 1.64 . 1 694 . 68 ARG CD C 43.33 . 1 695 . 68 ARG NE N 84.61 . 1 696 . 68 ARG HE H 7.23 . 1 697 . 68 ARG HD2 H 3.15 . 2 698 . 69 GLN H H 7.90 . 1 699 . 69 GLN HA H 4.09 . 1 700 . 69 GLN HB2 H 2.12 . 1 701 . 69 GLN HB3 H 2.04 . 1 702 . 69 GLN N N 119.20 . 1 703 . 69 GLN CA C 57.57 . 1 704 . 69 GLN CB C 29.06 . 1 705 . 69 GLN CG C 33.92 . 1 706 . 69 GLN HG2 H 2.32 . 1 707 . 69 GLN HG3 H 2.27 . 1 708 . 69 GLN NE2 N 111.51 . 1 709 . 69 GLN HE21 H 7.4 . 1 710 . 69 GLN HE22 H 6.90 . 1 711 . 70 ALA H H 7.94 . 1 712 . 70 ALA HA H 4.22 . 1 713 . 70 ALA HB H 1.51 . 1 714 . 70 ALA N N 122.17 . 1 715 . 70 ALA CA C 53.94 . 1 716 . 70 ALA CB C 18.51 . 1 717 . 71 ALA H H 7.87 . 1 718 . 71 ALA HA H 4.21 . 1 719 . 71 ALA HB H 1.43 . 1 720 . 71 ALA N N 120.99 . 1 721 . 71 ALA CA C 53.36 . 1 722 . 71 ALA CB C 18.60 . 1 723 . 72 ALA H H 7.79 . 1 724 . 72 ALA HA H 4.22 . 1 725 . 72 ALA HB H 1.41 . 1 726 . 72 ALA N N 121.01 . 1 727 . 72 ALA CA C 53.20 . 1 728 . 72 ALA CB C 18.65 . 1 729 . 73 LEU H H 7.85 . 1 730 . 73 LEU HA H 4.31 . 1 731 . 73 LEU HB2 H 1.74 . 1 732 . 73 LEU HB3 H 1.62 . 1 733 . 73 LEU N N 119.26 . 1 734 . 73 LEU CA C 55.66 . 1 735 . 73 LEU CB C 42.27 . 1 736 . 73 LEU CG C 26.87 . 1 737 . 73 LEU HG H 1.71 . 1 738 . 73 LEU CD1 C 24.99 . 1 739 . 73 LEU HD1 H 0.92 . 1 740 . 73 LEU CD2 C 23.25 . 1 741 . 73 LEU HD2 H 0.87 . 1 742 . 74 THR H H 7.87 . 1 743 . 74 THR HA H 4.30 . 1 744 . 74 THR HB H 4.22 . 1 745 . 74 THR N N 113.38 . 1 746 . 74 THR CA C 62.00 . 1 747 . 74 THR CB C 69.78 . 1 748 . 74 THR CG2 C 21.53 . 1 749 . 74 THR HG2 H 1.19 . 1 750 . 75 ARG H H 8.17 . 1 751 . 75 ARG HA H 4.32 . 1 752 . 75 ARG HB2 H 1.85 . 1 753 . 75 ARG HB3 H 1.77 . 1 754 . 75 ARG N N 122.87 . 1 755 . 75 ARG CA C 56.23 . 1 756 . 75 ARG CB C 30.72 . 1 757 . 75 ARG CG C 26.96 . 1 758 . 75 ARG CD C 43.28 . 1 759 . 75 ARG NE N 84.71 . 1 760 . 75 ARG HE H 7.18 . 1 761 . 75 ARG HG2 H 1.60 . 2 762 . 75 ARG HD2 H 3.17 . 2 763 . 76 ASN H H 8.44 . 1 764 . 76 ASN HA H 4.73 . 1 765 . 76 ASN HB2 H 2.82 . 1 766 . 76 ASN HB3 H 2.70 . 1 767 . 76 ASN N N 120.17 . 1 768 . 76 ASN CA C 53.26 . 1 769 . 76 ASN CB C 39.21 . 1 770 . 76 ASN ND2 N 112.90 . 1 771 . 76 ASN HD21 H 7.59 . 1 772 . 76 ASN HD22 H 6.86 . 1 773 . 77 GLY H H 7.94 . 1 774 . 77 GLY HA2 H 3.72 . 1 775 . 77 GLY N N 115.41 . 1 776 . 77 GLY CA C 46.21 . 1 stop_ save_