data_1333 #Corrected using PDB structure: 451C_ # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a HA chemical shift difference (obs*-pred) greater than 0.7ppm: #NUM AA CS Observed* Predicted # 12 C HA 4.97 4.12 # 16 H HA 3.73 4.98 # 35 A HA 4.23 3.49 # 48 I HA 1.51 3.76 # 51 G HA 2.81 4.11 # 61 M HA 3.67 4.43 # 63 P HA 3.19 4.47 # #After reference correction, the following residues still #have a HN chemical shift difference (obs*-pred) greater than 2.0ppm: #NUM AA CS Observed* Predicted # 23 V H 7.02 9.03 # 55 V H 10.55 7.72 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #0.05 N/A N/A N/A N/A 0.10 # #bmr1333.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr1333.str file): #HA CA CB CO N HN #N/A N/A N/A N/A N/A N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.04 N/A N/A N/A N/A +/-0.10 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.549 N/A N/A N/A N/A 0.464 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.173 N/A N/A N/A N/A 0.424 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequential 1H NMR Assignments of Iron(II) Cytochrome c551 from Pseudomonas aeruginosa ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Detlefsen David J. . 2 Thanabal V. . . 3 Pecoraro V. L. . 4 Wagner Gerhard . . stop_ _BMRB_accession_number 1333 _BMRB_flat_file_name bmr1333.str _Entry_type revision _Submission_date 1995-07-31 _Accession_date 1996-04-13 _Entry_origination BMRB _NMR_STAR_version 2.1 _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' 394 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-04-13 revision BMRB 'Link to the Protein Data Bank added' 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 ; Detlefsen, David J., Thanabal, V., Pecoraro, V. L., Wagner, Gerhard, "Sequential 1H NMR Assignments of Iron(II) Cytochrome c551 from Pseudomonas aeruginosa," Biochemistry 29 (40), 9377-9386 (1990). ; _Citation_title ; Sequential 1H NMR Assignments of Iron(II) Cytochrome c551 from Pseudomonas aeruginosa ; _Citation_status published _Citation_type journal _MEDLINE_UI_code ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Detlefsen David J. . 2 Thanabal V. . . 3 Pecoraro V. L. . 4 Wagner Gerhard . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 29 _Journal_issue 40 _Page_first 9377 _Page_last 9386 _Year 1990 save_ ################################## # Molecular system description # ################################## save_system_cytochrome_c551 _Saveframe_category molecular_system _Mol_system_name 'cytochrome c551' _Abbreviation_common ? loop_ _Mol_system_component_name _Mol_label 'cytochrome c551' $cytochrome_c551 stop_ _System_physical_state ? _System_oligomer_state ? _System_paramagnetic ? loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 2PAC "Cytochrome C551 (Nmr, 10 Structures)" . PDB 351C "Cytochrome c551 (Oxidized)" . PDB 451C "Cytochrome c551 (Reduced)" . stop_ save_ ######################## # Monomeric polymers # ######################## save_cytochrome_c551 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'cytochrome c551' _Abbreviation_common ? ############################## # Polymer residue sequence # ############################## _Residue_count 77 _Mol_residue_sequence ; EDPEVLFKNKGCVACHAIDT KMVGPAYKDVAAKFAGQAGA EAELAQRIKNGSQGVWGPIP MPPNAVSDDEAQTLAKW ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 ASP 3 PRO 4 GLU 5 VAL 6 LEU 7 PHE 8 LYS 9 ASN 10 LYS 11 GLY 12 CYS 13 VAL 14 ALA 15 CYS 16 HIS 17 ALA 18 ILE 19 ASP 20 THR 21 LYS 22 MET 23 VAL 24 GLY 25 PRO 26 ALA 27 TYR 28 LYS 29 ASP 30 VAL 31 ALA 32 ALA 33 LYS 34 PHE 35 ALA 36 GLY 37 GLN 38 ALA 39 GLY 40 ALA 41 GLU 42 ALA 43 GLU 44 LEU 45 ALA 46 GLN 47 ARG 48 ILE 49 LYS 50 ASN 51 GLY 52 SER 53 GLN 54 GLY 55 VAL 56 TRP 57 GLY 58 PRO 59 ILE 60 PRO 61 MET 62 PRO 63 PRO 64 ASN 65 ALA 66 VAL 67 SER 68 ASP 69 ASP 70 GLU 71 ALA 72 GLN 73 THR 74 LEU 75 ALA 76 LYS 77 TRP stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-07-16 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 2PAC "Cytochrome C551 (Nmr, 10 Structures)" 93.90 82 100 100 9e-40 PDB 351C "Cytochrome c551 (Oxidized)" 93.90 82 100 100 9e-40 PDB 451C "Cytochrome c551 (Reduced)" 93.90 82 100 100 9e-40 DBJ BAD11780.1 "nirM [Burkholderia cepacia]" 74.04 104 100 100 9e-40 EMBL CAA35703.1 "unnamed protein product [Pseudomonasaeruginosa]" 74.04 104 100 100 9e-40 EMBL CAA35958.1 "cytochrome c-551 [Pseudomonasaeruginosa]" 74.04 104 100 100 9e-40 GenBank AAG03907.1 "cytochrome c-551 precursor [Pseudomonasaeruginosa PAO1]" 74.04 104 100 100 9e-40 GenBank AAT49429.1 "PA0518 [synthetic construct]" 73.33 105 99 100 3e-39 PIR CCPS5A "cytochrome c551 precursor [validated] -Pseudomonas aeruginosa" 74.04 104 100 100 9e-40 PRF 630481A "cytochrome c551" 93.90 82 100 100 9e-40 REF NP_249209.1 "cytochrome c-551 precursor[Pseudomonas aeruginosa PA01]" 74.04 104 100 100 9e-40 SWISS-PROT P00099 "C551_PSEAE Cytochrome c-551 precursor(Cytochrome c551) (Cytochrome C8)" 74.04 104 100 100 9e-40 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Genus _Species _Strain $cytochrome_c551 potato ? Solanum tuberosum PAO1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method $cytochrome_c551 'not available' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling ? ? ? ? stop_ save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 . na temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Chem_shift_units _Chem_shift_value DSS H ppm 0 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_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts 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 'cytochrome c551' 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 GLU HA H 3.99 . 1 2 1 GLU HB2 H 1.87 . 2 3 1 GLU HB3 H 2.08 . 2 4 1 GLU HG2 H 2.27 . 2 5 1 GLU HG3 H 2.52 . 2 6 2 ASP H H 9.42 . 1 7 2 ASP HA H 4.73 . 1 8 2 ASP HB2 H 2.57 . 2 9 2 ASP HB3 H 2.78 . 2 10 3 PRO HA H 3.74 . 1 11 3 PRO HB2 H 1.67 . 1 12 3 PRO HB3 H 1.67 . 1 13 3 PRO HG2 H 1.58 . 1 14 3 PRO HG3 H 1.58 . 1 15 3 PRO HD2 H 3.91 . 2 16 3 PRO HD3 H 3.55 . 2 17 4 GLU H H 8.27 . 1 18 4 GLU HA H 3.19 . 1 19 4 GLU HB2 H 1.87 . 2 20 4 GLU HB3 H 1.82 . 2 21 4 GLU HG2 H 2.19 . 1 22 4 GLU HG3 H 2.19 . 1 23 5 VAL H H 7.01 . 1 24 5 VAL HA H 3.64 . 1 25 5 VAL HB H 2.19 . 1 26 5 VAL HG1 H 0.88 . 2 27 5 VAL HG2 H 0.96 . 2 28 6 LEU H H 7.54 . 1 29 6 LEU HA H 4.06 . 1 30 6 LEU HB2 H 1.25 . 2 31 6 LEU HB3 H 2.03 . 2 32 6 LEU HG H 1.59 . 1 33 6 LEU HD1 H 0.87 . 2 34 6 LEU HD2 H 0.88 . 2 35 7 PHE H H 8.38 . 1 36 7 PHE HA H 4.24 . 1 37 7 PHE HB2 H 2.97 . 2 38 7 PHE HB3 H 2.86 . 2 39 7 PHE HD1 H 7.26 . 1 40 7 PHE HD2 H 7.26 . 1 41 7 PHE HE1 H 6.91 . 1 42 7 PHE HE2 H 6.91 . 1 43 7 PHE HZ H 7.12 . 1 44 8 LYS H H 6.89 . 1 45 8 LYS HA H 3.87 . 1 46 9 ASN H H 8.80 . 1 47 9 ASN HA H 4.58 . 1 48 9 ASN HB2 H 2.90 . 1 49 9 ASN HB3 H 2.90 . 1 50 9 ASN HD21 H 6.96 . 2 51 9 ASN HD22 H 7.67 . 2 52 10 LYS H H 8.97 . 1 53 10 LYS HA H 4.80 . 1 54 10 LYS HB2 H 2.53 . 1 55 10 LYS HB3 H 2.53 . 1 56 11 GLY H H 7.88 . 1 57 11 GLY HA2 H 3.97 . 2 58 11 GLY HA3 H 4.62 . 2 59 12 CYS H H 8.46 . 1 60 12 CYS HA H 4.92 . 1 61 12 CYS HB2 H 3.00 . 2 62 12 CYS HB3 H 3.30 . 2 63 13 VAL H H 6.61 . 1 64 13 VAL HA H 3.53 . 1 65 13 VAL HB H 0.98 . 1 66 13 VAL HG1 H 0.61 . 2 67 13 VAL HG2 H 0.81 . 2 68 14 ALA H H 7.32 . 1 69 14 ALA HA H 4.07 . 1 70 14 ALA HB H 1.62 . 1 71 15 CYS H H 6.87 . 1 72 15 CYS HA H 4.30 . 1 73 15 CYS HB2 H 0.93 . 2 74 15 CYS HB3 H 1.79 . 2 75 16 HIS H H 6.75 . 1 76 16 HIS HA H 3.68 . 1 77 16 HIS HB2 H 0.13 . 2 78 16 HIS HB3 H 0.82 . 2 79 16 HIS HD2 H 0.56 . 1 80 16 HIS HE1 H 0.66 . 1 81 17 ALA H H 7.72 . 1 82 17 ALA HA H 4.16 . 1 83 17 ALA HB H 1.18 . 1 84 18 ILE H H 8.34 . 1 85 18 ILE HA H 3.14 . 1 86 18 ILE HB H 1.50 . 1 87 18 ILE HG12 H 1.22 . 2 88 18 ILE HG13 H 0.68 . 2 89 18 ILE HG2 H 0.52 . 1 90 18 ILE HD1 H 0.59 . 1 91 19 ASP H H 8.03 . 1 92 19 ASP HA H 4.41 . 1 93 19 ASP HB2 H 2.40 . 2 94 19 ASP HB3 H 2.61 . 2 95 20 THR H H 6.46 . 1 96 20 THR HA H 4.34 . 1 97 20 THR HB H 3.70 . 1 98 20 THR HG2 H 0.89 . 1 99 21 LYS H H 8.43 . 1 100 21 LYS HA H 3.51 . 1 101 21 LYS HB2 H 1.60 . 2 102 21 LYS HB3 H 1.71 . 2 103 22 MET H H 7.31 . 1 104 22 MET HA H 4.28 . 1 105 23 VAL H H 6.92 . 1 106 23 VAL HA H 3.87 . 1 107 23 VAL HB H 1.79 . 1 108 23 VAL HG1 H 1.10 . 2 109 23 VAL HG2 H 1.53 . 2 110 24 GLY H H 6.67 . 1 111 24 GLY HA2 H 0.03 . 2 112 24 GLY HA3 H 3.64 . 2 113 25 PRO HA H 3.50 . 1 114 25 PRO HB2 H 0.42 . 2 115 25 PRO HB3 H 0.86 . 2 116 25 PRO HG2 H 0.02 . 2 117 25 PRO HG3 H 0.12 . 2 118 25 PRO HD2 H 2.01 . 2 119 25 PRO HD3 H 2.86 . 2 120 26 ALA H H 8.50 . 1 121 26 ALA HA H 3.76 . 1 122 26 ALA HB H 0.69 . 1 123 27 TYR H H 7.52 . 1 124 27 TYR HA H 4.04 . 1 125 27 TYR HB2 H 2.28 . 2 126 27 TYR HB3 H 2.66 . 2 127 27 TYR HD1 H 5.71 . 1 128 27 TYR HD2 H 5.71 . 1 129 28 LYS H H 8.88 . 1 130 28 LYS HA H 4.04 . 1 131 28 LYS HB2 H 1.62 . 1 132 28 LYS HB3 H 1.62 . 1 133 29 ASP H H 6.62 . 1 134 29 ASP HA H 4.67 . 1 135 29 ASP HB2 H 2.67 . 2 136 29 ASP HB3 H 2.75 . 2 137 30 VAL H H 7.61 . 1 138 30 VAL HA H 4.12 . 1 139 30 VAL HB H 2.18 . 1 140 30 VAL HG1 H 0.69 . 2 141 30 VAL HG2 H 1.55 . 2 142 31 ALA H H 8.63 . 1 143 31 ALA HA H 3.98 . 1 144 31 ALA HB H 1.54 . 1 145 32 ALA H H 7.59 . 1 146 32 ALA HA H 4.15 . 1 147 32 ALA HB H 1.55 . 1 148 33 LYS H H 7.84 . 1 149 33 LYS HA H 4.02 . 1 150 33 LYS HB2 H 1.99 . 1 151 33 LYS HB3 H 1.99 . 1 152 34 PHE H H 7.69 . 1 153 34 PHE HA H 4.52 . 1 154 34 PHE HB2 H 2.69 . 2 155 34 PHE HB3 H 3.41 . 2 156 34 PHE HD1 H 7.62 . 1 157 34 PHE HD2 H 7.62 . 1 158 34 PHE HE1 H 7.65 . 1 159 34 PHE HE2 H 7.65 . 1 160 34 PHE HZ H 7.60 . 1 161 35 ALA H H 7.71 . 1 162 35 ALA HA H 4.18 . 1 163 35 ALA HB H 1.50 . 1 164 36 GLY H H 8.89 . 1 165 36 GLY HA2 H 3.93 . 2 166 36 GLY HA3 H 4.02 . 2 167 37 GLN H H 7.73 . 1 168 37 GLN HA H 4.50 . 1 169 37 GLN HB2 H 2.20 . 1 170 37 GLN HB3 H 2.20 . 1 171 37 GLN HG2 H 2.32 . 2 172 37 GLN HG3 H 2.34 . 2 173 37 GLN HE21 H 6.81 . 2 174 37 GLN HE22 H 7.63 . 2 175 38 ALA H H 8.97 . 1 176 38 ALA HA H 4.25 . 1 177 38 ALA HB H 1.41 . 1 178 39 GLY H H 9.10 . 1 179 39 GLY HA2 H 3.83 . 2 180 39 GLY HA3 H 4.06 . 2 181 40 ALA H H 7.70 . 1 182 40 ALA HA H 4.05 . 1 183 40 ALA HB H 1.60 . 1 184 41 GLU H H 8.82 . 1 185 41 GLU HA H 3.60 . 1 186 41 GLU HB2 H 1.98 . 1 187 41 GLU HB3 H 1.98 . 1 188 42 ALA H H 7.86 . 1 189 42 ALA HA H 4.07 . 1 190 42 ALA HB H 1.38 . 1 191 43 GLU H H 7.77 . 1 192 43 GLU HA H 4.08 . 1 193 43 GLU HB2 H 1.92 . 2 194 43 GLU HB3 H 2.10 . 2 195 44 LEU H H 8.66 . 1 196 44 LEU HA H 3.88 . 1 197 44 LEU HB2 H 1.33 . 2 198 44 LEU HB3 H 1.87 . 2 199 44 LEU HG H 1.65 . 1 200 44 LEU HD1 H 0.75 . 2 201 44 LEU HD2 H 0.78 . 2 202 45 ALA H H 8.32 . 1 203 45 ALA HA H 3.78 . 1 204 45 ALA HB H 1.34 . 1 205 46 GLN H H 7.38 . 1 206 46 GLN HA H 3.82 . 1 207 46 GLN HB2 H 2.14 . 1 208 46 GLN HB3 H 2.14 . 1 209 46 GLN HG2 H 2.38 . 1 210 46 GLN HG3 H 2.38 . 1 211 46 GLN HE21 H 7.01 . 2 212 46 GLN HE22 H 7.29 . 2 213 47 ARG H H 7.68 . 1 214 47 ARG HA H 3.66 . 1 215 47 ARG HB2 H 1.72 . 1 216 47 ARG HB3 H 1.72 . 1 217 47 ARG HD2 H 3.05 . 2 218 47 ARG HD3 H 3.18 . 2 219 47 ARG HE H 7.43 . 1 220 47 ARG HH11 H 6.49 . 1 221 47 ARG HH12 H 6.49 . 1 222 47 ARG HH21 H 6.49 . 1 223 47 ARG HH22 H 6.49 . 1 224 48 ILE H H 8.15 . 1 225 48 ILE HA H 1.46 . 1 226 48 ILE HB H 1.70 . 1 227 48 ILE HG2 H 0.62 . 1 228 48 ILE HD1 H 1.28 . 1 229 49 LYS H H 7.11 . 1 230 49 LYS HA H 3.82 . 1 231 49 LYS HB2 H 1.35 . 2 232 49 LYS HB3 H 1.56 . 2 233 50 ASN H H 8.08 . 1 234 50 ASN HA H 4.44 . 1 235 50 ASN HB2 H 2.56 . 1 236 50 ASN HB3 H 2.56 . 1 237 50 ASN HD21 H 7.01 . 2 238 50 ASN HD22 H 7.30 . 2 239 51 GLY H H 7.39 . 1 240 51 GLY HA2 H 1.97 . 2 241 51 GLY HA3 H 3.56 . 2 242 52 SER H H 7.18 . 1 243 52 SER HA H 4.28 . 1 244 52 SER HB2 H 2.78 . 1 245 52 SER HB3 H 2.78 . 1 246 53 GLN H H 7.91 . 1 247 53 GLN HA H 4.28 . 1 248 53 GLN HB2 H 1.90 . 1 249 53 GLN HB3 H 1.90 . 1 250 53 GLN HG2 H 2.06 . 2 251 53 GLN HG3 H 2.22 . 2 252 53 GLN HE21 H 6.84 . 2 253 53 GLN HE22 H 7.47 . 2 254 54 GLY H H 8.42 . 1 255 54 GLY HA2 H 3.85 . 2 256 54 GLY HA3 H 4.14 . 2 257 55 VAL H H 10.45 . 1 258 55 VAL HA H 3.75 . 1 259 55 VAL HB H 2.43 . 1 260 55 VAL HG1 H 0.64 . 2 261 55 VAL HG2 H 1.01 . 2 262 56 TRP H H 10.73 . 1 263 56 TRP HA H 4.62 . 1 264 56 TRP HB2 H 3.61 . 2 265 56 TRP HB3 H 3.84 . 2 266 56 TRP HD1 H 7.70 . 1 267 56 TRP HE1 H 11.57 . 1 268 56 TRP HE3 H 8.03 . 1 269 56 TRP HZ2 H 7.59 . 1 270 56 TRP HZ3 H 7.28 . 1 271 56 TRP HH2 H 7.10 . 1 272 57 GLY H H 7.93 . 1 273 57 GLY HA2 H 4.11 . 2 274 57 GLY HA3 H 4.56 . 2 275 58 PRO HD2 H 3.62 . 2 276 58 PRO HD3 H 3.96 . 2 277 59 ILE H H 7.45 . 1 278 59 ILE HA H 4.64 . 1 279 59 ILE HB H 2.16 . 1 280 59 ILE HG12 H 1.48 . 2 281 59 ILE HG13 H 1.76 . 2 282 59 ILE HG2 H 1.30 . 1 283 59 ILE HD1 H 1.05 . 1 284 60 PRO HA H 4.82 . 1 285 60 PRO HB2 H 1.49 . 2 286 60 PRO HB3 H 1.98 . 2 287 60 PRO HD2 H 3.92 . 2 288 60 PRO HD3 H 4.09 . 2 289 61 MET H H 8.77 . 1 290 61 MET HA H 3.62 . 1 291 61 MET HB2 H 2.72 . 2 292 61 MET HB3 H 0.89 . 2 293 61 MET HG2 H 3.55 . 2 294 61 MET HG3 H 0.54 . 2 295 61 MET HE H -2.96 . 1 296 62 PRO HA H 4.19 . 1 297 62 PRO HB2 H 2.17 . 1 298 62 PRO HB3 H 2.17 . 1 299 62 PRO HD2 H 3.02 . 2 300 62 PRO HD3 H 3.81 . 2 301 63 PRO HA H 3.14 . 1 302 63 PRO HB2 H 1.45 . 2 303 63 PRO HB3 H 2.07 . 2 304 63 PRO HG2 H 1.60 . 2 305 63 PRO HG3 H 1.72 . 2 306 63 PRO HD2 H 3.18 . 2 307 63 PRO HD3 H 3.27 . 2 308 64 ASN H H 6.92 . 1 309 64 ASN HA H 4.78 . 1 310 64 ASN HB2 H 2.02 . 2 311 64 ASN HB3 H 2.43 . 2 312 65 ALA H H 8.83 . 1 313 65 ALA HA H 4.47 . 1 314 65 ALA HB H 1.28 . 1 315 66 VAL H H 7.70 . 1 316 66 VAL HA H 4.84 . 1 317 66 VAL HB H 2.44 . 1 318 66 VAL HG1 H 0.58 . 2 319 66 VAL HG2 H 0.71 . 2 320 67 SER H H 9.24 . 1 321 67 SER HA H 4.55 . 1 322 67 SER HB2 H 3.88 . 2 323 67 SER HB3 H 4.35 . 2 324 68 ASP H H 8.81 . 1 325 68 ASP HA H 4.28 . 1 326 68 ASP HB2 H 2.54 . 2 327 68 ASP HB3 H 2.59 . 2 328 69 ASP H H 8.42 . 1 329 69 ASP HA H 4.36 . 1 330 69 ASP HB2 H 2.55 . 1 331 69 ASP HB3 H 2.55 . 1 332 70 GLU H H 7.85 . 1 333 70 GLU HA H 3.82 . 1 334 70 GLU HB2 H 2.47 . 1 335 70 GLU HB3 H 2.47 . 1 336 71 ALA H H 8.82 . 1 337 71 ALA HA H 3.92 . 1 338 71 ALA HB H 1.55 . 1 339 72 GLN H H 8.11 . 1 340 72 GLN HA H 3.93 . 1 341 72 GLN HB2 H 2.20 . 1 342 72 GLN HB3 H 2.20 . 1 343 72 GLN HG2 H 2.36 . 2 344 72 GLN HG3 H 2.47 . 2 345 72 GLN HE21 H 6.64 . 2 346 72 GLN HE22 H 7.70 . 2 347 73 THR H H 8.23 . 1 348 73 THR HA H 3.97 . 1 349 73 THR HB H 4.29 . 1 350 73 THR HG2 H 1.23 . 1 351 74 LEU H H 8.59 . 1 352 74 LEU HA H 4.28 . 1 353 74 LEU HB2 H 1.71 . 2 354 74 LEU HB3 H 2.33 . 2 355 74 LEU HG H 1.78 . 1 356 74 LEU HD1 H 1.18 . 1 357 74 LEU HD2 H 1.18 . 1 358 75 ALA H H 8.81 . 1 359 75 ALA HA H 3.87 . 1 360 75 ALA HB H 1.58 . 1 361 76 LYS H H 8.19 . 1 362 76 LYS HA H 3.87 . 1 363 76 LYS HB2 H 1.96 . 1 364 76 LYS HB3 H 1.96 . 1 365 77 TRP H H 7.80 . 1 366 77 TRP HA H 4.37 . 1 367 77 TRP HB2 H 3.21 . 2 368 77 TRP HB3 H 3.53 . 2 369 77 TRP HD1 H 7.24 . 1 370 77 TRP HE1 H 10.18 . 1 371 77 TRP HE3 H 7.34 . 1 372 77 TRP HZ2 H 7.07 . 1 373 77 TRP HZ3 H 6.39 . 1 374 77 TRP HH2 H 5.77 . 1 375 78 VAL H H 9.18 . 1 376 78 VAL HA H 2.54 . 1 377 78 VAL HB H 2.18 . 1 378 78 VAL HG1 H 0.42 . 2 379 78 VAL HG2 H 0.61 . 2 380 79 LEU H H 7.75 . 1 381 79 LEU HA H 3.81 . 1 382 79 LEU HB2 H 1.55 . 2 383 79 LEU HB3 H 1.90 . 2 384 79 LEU HG H 1.81 . 1 385 79 LEU HD1 H 0.82 . 2 386 79 LEU HD2 H 0.88 . 2 387 80 SER H H 7.44 . 1 388 80 SER HA H 4.41 . 1 389 80 SER HB2 H 3.93 . 2 390 80 SER HB3 H 4.02 . 2 391 81 GLN H H 7.15 . 1 392 81 GLN HA H 3.89 . 1 393 81 GLN HB2 H 2.28 . 1 394 81 GLN HB3 H 2.28 . 1 stop_ save_