data_7067 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Human Nogo-A functional domain: nogo60 ; _BMRB_accession_number 7067 _BMRB_flat_file_name bmr7067.str _Entry_type original _Submission_date 2006-04-10 _Accession_date 2006-04-12 _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 Li M. F. . 2 Liu J. X. . 3 Song J. X. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 256 "15N chemical shifts" 57 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-12-07 update BMRB 'delete outlier: 34 VAL N 12.391' 2006-11-17 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Nogo goes in the pure water: solution structure of Nogo-60 and design of the structured and buffer-soluble Nogo-54 for enhancing CNS regeneration ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16877707 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li M. F. . 2 Liu J. X. . 3 Song J. X. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 15 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1835 _Page_last 1841 _Year 2006 _Details . loop_ _Keyword NOGO HELIX stop_ save_ ################################## # Molecular system description # ################################## save_system_Reticulon-4 _Saveframe_category molecular_system _Mol_system_name Reticulon-4 _Abbreviation_common Reticulon-4 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Reticulon-4 $Reticulon-4 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Reticulon-4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Reticulon-4 _Abbreviation_common Reticulon-4 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 60 _Mol_residue_sequence ; RIYKGVIQAIQKSDEGHPFR AYLESEVAISEELVQKYSNS ALGHVNCTIKELRRLFLVDD ; loop_ _Residue_seq_code _Residue_label 1 ARG 2 ILE 3 TYR 4 LYS 5 GLY 6 VAL 7 ILE 8 GLN 9 ALA 10 ILE 11 GLN 12 LYS 13 SER 14 ASP 15 GLU 16 GLY 17 HIS 18 PRO 19 PHE 20 ARG 21 ALA 22 TYR 23 LEU 24 GLU 25 SER 26 GLU 27 VAL 28 ALA 29 ILE 30 SER 31 GLU 32 GLU 33 LEU 34 VAL 35 GLN 36 LYS 37 TYR 38 SER 39 ASN 40 SER 41 ALA 42 LEU 43 GLY 44 HIS 45 VAL 46 ASN 47 CYS 48 THR 49 ILE 50 LYS 51 GLU 52 LEU 53 ARG 54 ARG 55 LEU 56 PHE 57 LEU 58 VAL 59 ASP 60 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15933 NOGO 100.00 79 98.33 98.33 8.08e-34 BMRB 16257 Nogo66_at_pH4.0 100.00 79 98.33 98.33 8.08e-34 PDB 2G31 "Human Nogo-A Functional Domain: Nogo60" 100.00 60 100.00 100.00 4.51e-35 PDB 2JV5 Nogo54 90.00 54 100.00 100.00 2.56e-30 PDB 2KO2 Nogo66 100.00 79 98.33 98.33 8.08e-34 DBJ BAA74909 "KIAA0886 protein [Homo sapiens]" 100.00 1233 100.00 100.00 1.60e-30 DBJ BAA83712 "ASY [Homo sapiens]" 100.00 373 100.00 100.00 1.79e-33 DBJ BAB16739 "hypothetical protein [Macaca fascicularis]" 100.00 179 98.33 100.00 1.83e-34 DBJ BAB18927 "RTN-xL [Homo sapiens]" 100.00 1192 100.00 100.00 1.68e-30 DBJ BAB18928 "RTN-xS [Homo sapiens]" 100.00 373 100.00 100.00 1.79e-33 EMBL CAB71027 "Nogo-A protein [Rattus norvegicus]" 100.00 1163 98.33 98.33 4.86e-29 EMBL CAB71028 "Nogo-B protein [Rattus norvegicus]" 100.00 360 98.33 98.33 4.57e-32 EMBL CAB71029 "Nogo-C protein [Rattus norvegicus]" 100.00 199 98.33 98.33 3.62e-33 EMBL CAB99248 "Nogo-A protein [Homo sapiens]" 100.00 1192 100.00 100.00 1.63e-30 EMBL CAB99249 "Nogo-B protein [Homo sapiens]" 100.00 373 100.00 100.00 1.79e-33 GB AAD27783 "neuroendocrine-specific protein C homolog [Homo sapiens]" 100.00 199 100.00 100.00 1.29e-34 GB AAD31019 "foocen-m2 [Rattus norvegicus]" 100.00 379 98.33 98.33 5.61e-32 GB AAD31020 "foocen-m1 [Rattus norvegicus]" 100.00 358 98.33 98.33 4.46e-32 GB AAD31021 "foocen-m [Homo sapiens]" 100.00 373 100.00 100.00 1.79e-33 GB AAD31022 "foocen-s [Homo sapiens]" 100.00 199 100.00 100.00 1.29e-34 REF NP_001029083 "reticulon-4 [Pan troglodytes]" 100.00 199 100.00 100.00 1.29e-34 REF NP_001068606 "reticulon-4 isoform 1 [Bos taurus]" 100.00 199 100.00 100.00 1.29e-34 REF NP_001106692 "reticulon-4 isoform 2 [Bos taurus]" 100.00 379 100.00 100.00 1.92e-33 REF NP_001123435 "reticulon-4 [Sus scrofa]" 100.00 199 100.00 100.00 1.14e-34 REF NP_001126875 "reticulon-4 [Pongo abelii]" 100.00 199 100.00 100.00 1.25e-34 SP Q99P72 "RecName: Full=Reticulon-4; AltName: Full=Neurite outgrowth inhibitor; Short=Nogo protein [Mus musculus]" 100.00 1162 98.33 98.33 4.36e-29 SP Q9JK11 "RecName: Full=Reticulon-4; AltName: Full=Foocen; AltName: Full=Glut4 vesicle 20 kDa protein; AltName: Full=Neurite outgrowth in" 100.00 1163 98.33 98.33 4.86e-29 SP Q9NQC3 "RecName: Full=Reticulon-4; AltName: Full=Foocen; AltName: Full=Neurite outgrowth inhibitor; Short=Nogo protein; AltName: Full=N" 100.00 1192 100.00 100.00 1.68e-30 TPG DAA01940 "TPA_inf: RTN4-C [Macaca fascicularis]" 100.00 199 98.33 100.00 3.57e-34 TPG DAA01967 "TPA_inf: RTN4-C [Sus scrofa]" 100.00 199 100.00 100.00 1.14e-34 TPG DAA01973 "TPA_inf: RTN4-Aw, partial [Sus scrofa]" 100.00 187 100.00 100.00 9.30e-35 TPG DAA02035 "TPA_inf: RTN4-C [Pan troglodytes]" 100.00 199 100.00 100.00 1.29e-34 TPG DAA05710 "TPA_exp: RTN4w [Ovis aries]" 100.00 198 100.00 100.00 1.57e-34 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Reticulon-4 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Reticulon-4 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Reticulon-4 . mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_DYANA _Saveframe_category software _Name DYANA _Version 'CYANA 1.0.6' loop_ _Task refinement stop_ _Details 'Peter Guntert' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_2D_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_2D_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.0 . pH temperature 278 . K pressure 1 . atm 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 . H 1 . ppm . . . . . . . N 15 . ppm . . . . . . 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_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name Reticulon-4 _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 ARG HA H 4.275 . 1 2 . 1 ARG HB2 H 1.515 . 2 3 . 1 ARG HB3 H 1.690 . 2 4 . 1 ARG HG2 H 1.439 . 2 5 . 1 ARG HD2 H 3.076 . 2 6 . 1 ARG H H 8.511 . 1 7 . 2 ILE H H 8.222 . 1 8 . 2 ILE HA H 4.111 . 1 9 . 2 ILE HB H 1.689 . 1 10 . 2 ILE HG12 H 1.354 . 1 11 . 2 ILE HG13 H 1.037 . 1 12 . 2 ILE HD1 H 0.751 . 1 13 . 2 ILE N N 122.227 . 1 14 . 3 TYR H H 8.547 . 1 15 . 3 TYR HA H 4.518 . 1 16 . 3 TYR HB2 H 2.870 . 2 17 . 3 TYR HD1 H 7.024 . 3 18 . 3 TYR N N 126.367 . 1 19 . 4 LYS H H 8.472 . 1 20 . 4 LYS HA H 4.078 . 1 21 . 4 LYS HB2 H 1.576 . 2 22 . 4 LYS HB3 H 1.723 . 2 23 . 4 LYS HG2 H 1.202 . 2 24 . 4 LYS N N 125.031 . 1 25 . 5 GLY H H 7.846 . 1 26 . 5 GLY HA2 H 3.757 . 2 27 . 5 GLY N N 126.648 . 1 28 . 6 VAL H H 8.055 . 1 29 . 6 VAL HA H 4.074 . 1 30 . 6 VAL HB H 1.978 . 1 31 . 6 VAL HG2 H 0.866 . 2 32 . 6 VAL N N 119.758 . 1 33 . 7 ILE H H 8.459 . 1 34 . 7 ILE HA H 4.074 . 1 35 . 7 ILE HB H 1.750 . 1 36 . 7 ILE HG12 H 1.081 . 1 37 . 7 ILE HG13 H 1.419 . 1 38 . 7 ILE HG2 H 0.810 . 1 39 . 7 ILE HD1 H 0.777 . 1 40 . 7 ILE N N 126.297 . 1 41 . 8 GLN H H 8.591 . 1 42 . 8 GLN HA H 4.258 . 1 43 . 8 GLN HB2 H 1.866 . 2 44 . 8 GLN HB3 H 1.985 . 2 45 . 8 GLN HG2 H 2.288 . 2 46 . 8 GLN N N 125.875 . 1 47 . 9 ALA H H 8.466 . 1 48 . 9 ALA HA H 4.145 . 1 49 . 9 ALA HB H 1.296 . 1 50 . 9 ALA N N 126.227 . 1 51 . 10 ILE H H 8.274 . 1 52 . 10 ILE HA H 4.035 . 1 53 . 10 ILE HB H 1.735 . 1 54 . 10 ILE HG12 H 1.302 . 1 55 . 10 ILE HG13 H 1.416 . 1 56 . 10 ILE HG2 H 1.102 . 1 57 . 10 ILE HD1 H 0.798 . 1 58 . 10 ILE N N 121.023 . 1 59 . 11 GLN H H 8.567 . 1 60 . 11 GLN HA H 4.246 . 1 61 . 11 GLN HB2 H 2.006 . 2 62 . 11 GLN HG2 H 2.293 . 2 63 . 11 GLN N N 125.242 . 1 64 . 12 LYS H H 8.559 . 1 65 . 12 LYS HA H 4.260 . 1 66 . 12 LYS HB2 H 1.785 . 2 67 . 12 LYS HB3 H 1.886 . 2 68 . 12 LYS HG2 H 1.383 . 2 69 . 12 LYS HD2 H 1.702 . 2 70 . 12 LYS N N 123.766 . 1 71 . 13 SER H H 8.485 . 1 72 . 13 SER HA H 4.357 . 1 73 . 13 SER HB2 H 3.813 . 2 74 . 13 SER N N 116.945 . 1 75 . 14 ASP H H 8.453 . 1 76 . 14 ASP HA H 4.598 . 1 77 . 14 ASP HB2 H 2.699 . 2 78 . 14 ASP N N 121.867 . 1 79 . 15 GLU H H 8.365 . 1 80 . 15 GLU HA H 4.142 . 1 81 . 15 GLU HB2 H 1.905 . 2 82 . 15 GLU HB3 H 2.021 . 2 83 . 15 GLU HG2 H 2.307 . 2 84 . 15 GLU N N 120.813 . 1 85 . 16 GLY H H 8.490 . 1 86 . 16 GLY HA2 H 3.793 . 2 87 . 16 GLY N N 126.508 . 1 88 . 17 HIS H H 8.163 . 1 89 . 17 HIS HA H 4.925 . 1 90 . 17 HIS HB2 H 3.040 . 2 91 . 17 HIS HB3 H 3.124 . 2 92 . 17 HIS HD2 H 7.207 . 3 93 . 17 HIS N N 117.719 . 1 94 . 19 PHE H H 8.570 . 1 95 . 19 PHE HA H 4.490 . 1 96 . 19 PHE HB2 H 2.980 . 2 97 . 19 PHE HB3 H 3.062 . 2 98 . 19 PHE HD1 H 7.159 . 3 99 . 19 PHE N N 121.164 . 1 100 . 20 ARG H H 8.097 . 1 101 . 20 ARG HA H 4.124 . 1 102 . 20 ARG HB2 H 1.422 . 2 103 . 20 ARG HB3 H 1.576 . 2 104 . 20 ARG N N 123.836 . 1 105 . 21 ALA H H 8.245 . 1 106 . 21 ALA HA H 4.115 . 1 107 . 21 ALA HB H 1.268 . 1 108 . 21 ALA N N 125.031 . 1 109 . 22 TYR H H 8.114 . 1 110 . 22 TYR HA H 4.565 . 1 111 . 22 TYR HB2 H 2.916 . 2 112 . 22 TYR HD1 H 7.002 . 3 113 . 22 TYR N N 119.256 . 1 114 . 23 LEU H H 8.147 . 1 115 . 23 LEU HA H 4.188 . 1 116 . 23 LEU HB2 H 1.418 . 2 117 . 23 LEU HB3 H 1.486 . 2 118 . 23 LEU HD1 H 0.802 . 2 119 . 23 LEU N N 123.452 . 1 120 . 24 GLU H H 8.358 . 1 121 . 24 GLU HA H 4.093 . 1 122 . 24 GLU HB2 H 1.934 . 2 123 . 24 GLU HG2 H 2.342 . 2 124 . 24 GLU N N 121.305 . 1 125 . 25 SER H H 8.272 . 1 126 . 25 SER HA H 4.312 . 1 127 . 25 SER HB2 H 3.841 . 2 128 . 25 SER HB3 H 3.893 . 2 129 . 25 SER N N 116.031 . 1 130 . 26 GLU H H 8.336 . 1 131 . 26 GLU HA H 4.223 . 1 132 . 26 GLU HB2 H 1.936 . 2 133 . 26 GLU HB3 H 2.020 . 2 134 . 26 GLU HG2 H 2.325 . 2 135 . 26 GLU N N 121.938 . 1 136 . 27 VAL H H 8.055 . 1 137 . 27 VAL HA H 3.919 . 1 138 . 27 VAL HB H 1.953 . 1 139 . 27 VAL HG2 H 0.878 . 2 140 . 27 VAL N N 120.742 . 1 141 . 28 ALA H H 8.336 . 1 142 . 28 ALA HA H 4.230 . 1 143 . 28 ALA HB H 1.340 . 1 144 . 28 ALA N N 125.453 . 1 145 . 29 ILE H H 8.152 . 1 146 . 29 ILE HA H 3.975 . 1 147 . 29 ILE HB H 2.001 . 1 148 . 29 ILE HG12 H 1.341 . 1 149 . 29 ILE HG13 H 1.461 . 1 150 . 29 ILE HG2 H 0.881 . 1 151 . 29 ILE HD1 H 1.104 . 1 152 . 29 ILE N N 120.039 . 1 153 . 30 SER H H 8.253 . 1 154 . 30 SER HA H 4.284 . 1 155 . 30 SER HB2 H 3.816 . 2 156 . 30 SER HB3 H 3.954 . 2 157 . 30 SER N N 118.492 . 1 158 . 31 GLU H H 8.427 . 1 159 . 31 GLU HA H 4.297 . 1 160 . 31 GLU HB2 H 2.007 . 2 161 . 31 GLU HG2 H 2.380 . 2 162 . 31 GLU N N 122.148 . 1 163 . 32 GLU H H 8.244 . 1 164 . 32 GLU HA H 4.177 . 1 165 . 32 GLU HB2 H 2.013 . 2 166 . 32 GLU HG2 H 2.360 . 2 167 . 32 GLU N N 120.039 . 1 168 . 33 LEU H H 8.075 . 1 169 . 33 LEU HA H 4.147 . 1 170 . 33 LEU HB2 H 1.494 . 2 171 . 33 LEU HB3 H 1.599 . 2 172 . 33 LEU HD2 H 0.847 . 2 173 . 33 LEU N N 121.867 . 1 174 . 34 VAL H H 7.977 . 1 175 . 34 VAL HA H 3.853 . 1 176 . 34 VAL HB H 2.018 . 1 177 . 34 VAL HG2 H 0.891 . 2 178 . 35 GLN H H 8.300 . 1 179 . 35 GLN HA H 4.136 . 1 180 . 35 GLN HB2 H 1.943 . 2 181 . 35 GLN HB3 H 2.005 . 2 182 . 35 GLN HG2 H 2.290 . 2 183 . 35 GLN N N 122.570 . 1 184 . 36 LYS H H 8.210 . 1 185 . 36 LYS HA H 4.123 . 1 186 . 36 LYS HB2 H 1.521 . 2 187 . 36 LYS HB3 H 1.620 . 2 188 . 36 LYS HG2 H 1.095 . 2 189 . 36 LYS HG3 H 1.233 . 2 190 . 36 LYS N N 121.727 . 1 191 . 37 TYR H H 8.200 . 1 192 . 37 TYR HA H 4.532 . 1 193 . 37 TYR HB2 H 2.861 . 2 194 . 37 TYR HB3 H 3.041 . 2 195 . 37 TYR HD1 H 7.040 . 3 196 . 37 TYR N N 119.547 . 1 197 . 38 SER H H 8.203 . 1 198 . 38 SER HA H 4.320 . 1 199 . 38 SER HB2 H 3.798 . 2 200 . 38 SER N N 116.805 . 1 201 . 39 ASN H H 8.400 . 1 202 . 39 ASN HA H 4.628 . 1 203 . 39 ASN HB2 H 2.780 . 2 204 . 39 ASN N N 120.461 . 1 205 . 40 SER H H 8.312 . 1 206 . 40 SER HA H 4.326 . 1 207 . 40 SER HB2 H 3.895 . 2 208 . 40 SER N N 116.453 . 1 209 . 41 ALA H H 8.232 . 1 210 . 41 ALA HA H 3.850 . 1 211 . 41 ALA HB H 1.340 . 1 212 . 41 ALA N N 126.508 . 1 213 . 42 LEU H H 8.058 . 1 214 . 42 LEU HA H 4.219 . 1 215 . 42 LEU HB2 H 1.467 . 2 216 . 42 LEU HB3 H 1.565 . 2 217 . 42 LEU HG H 1.345 . 1 218 . 42 LEU HD1 H 0.984 . 2 219 . 42 LEU N N 119.688 . 1 220 . 43 GLY H H 8.257 . 1 221 . 43 GLY HA2 H 3.802 . 2 222 . 43 GLY N N 126.438 . 1 223 . 44 HIS H H 8.299 . 1 224 . 44 HIS HA H 4.658 . 1 225 . 44 HIS HB2 H 3.100 . 2 226 . 44 HIS HB3 H 3.197 . 2 227 . 44 HIS N N 117.859 . 1 228 . 45 VAL H H 8.228 . 1 229 . 45 VAL HA H 4.046 . 1 230 . 45 VAL HB H 1.965 . 1 231 . 45 VAL HG2 H 0.854 . 2 232 . 45 VAL N N 121.445 . 1 233 . 46 ASN H H 8.718 . 1 234 . 46 ASN HA H 4.672 . 1 235 . 46 ASN HB2 H 2.705 . 2 236 . 46 ASN HB3 H 2.788 . 2 237 . 46 ASN N N 122.570 . 1 238 . 47 CYS H H 8.424 . 1 239 . 47 CYS HA H 4.541 . 1 240 . 47 CYS HB2 H 2.733 . 2 241 . 47 CYS HB3 H 2.826 . 2 242 . 47 CYS N N 120.180 . 1 243 . 48 THR H H 8.386 . 1 244 . 48 THR HA H 4.289 . 1 245 . 48 THR HG2 H 1.163 . 1 246 . 48 THR N N 116.453 . 1 247 . 49 ILE H H 8.334 . 1 248 . 49 ILE HA H 3.989 . 1 249 . 49 ILE HB H 1.783 . 1 250 . 49 ILE HG12 H 1.164 . 1 251 . 49 ILE HD1 H 0.835 . 1 252 . 49 ILE N N 122.852 . 1 253 . 50 LYS H H 8.304 . 1 254 . 50 LYS HA H 4.071 . 1 255 . 50 LYS HB2 H 1.411 . 2 256 . 50 LYS HB3 H 1.696 . 2 257 . 50 LYS HG2 H 1.167 . 2 258 . 50 LYS HG3 H 1.287 . 2 259 . 50 LYS N N 123.766 . 1 260 . 51 GLU H H 8.146 . 1 261 . 51 GLU HA H 4.196 . 1 262 . 51 GLU HB2 H 1.979 . 2 263 . 51 GLU HB3 H 2.275 . 2 264 . 51 GLU N N 121.023 . 1 265 . 52 LEU H H 8.326 . 1 266 . 52 LEU HA H 4.166 . 1 267 . 52 LEU HB2 H 1.466 . 2 268 . 52 LEU HB3 H 1.596 . 2 269 . 52 LEU N N 122.781 . 1 270 . 53 ARG H H 8.302 . 1 271 . 53 ARG HA H 4.134 . 1 272 . 53 ARG HB2 H 1.636 . 2 273 . 53 ARG HB3 H 1.735 . 2 274 . 53 ARG HG2 H 1.486 . 2 275 . 53 ARG HD2 H 3.073 . 2 276 . 53 ARG N N 120.392 . 1 277 . 54 ARG H H 8.108 . 1 278 . 54 ARG HA H 4.139 . 1 279 . 54 ARG HB2 H 1.272 . 2 280 . 54 ARG HB3 H 1.483 . 2 281 . 54 ARG N N 121.523 . 1 282 . 55 LEU H H 8.147 . 1 283 . 55 LEU HA H 4.188 . 1 284 . 55 LEU HB2 H 1.418 . 2 285 . 55 LEU HB3 H 1.486 . 2 286 . 55 LEU HD2 H 0.802 . 2 287 . 55 LEU N N 123.452 . 1 288 . 56 PHE H H 8.093 . 1 289 . 56 PHE HA H 4.531 . 1 290 . 56 PHE HB2 H 2.916 . 2 291 . 56 PHE HB3 H 3.104 . 2 292 . 56 PHE HD1 H 7.123 . 3 293 . 56 PHE N N 119.125 . 1 294 . 57 LEU H H 8.108 . 1 295 . 57 LEU HA H 4.314 . 1 296 . 57 LEU HB2 H 1.478 . 2 297 . 57 LEU HB3 H 1.591 . 2 298 . 57 LEU HD1 H 0.807 . 2 299 . 57 LEU N N 122.289 . 1 300 . 58 VAL H H 8.034 . 1 301 . 58 VAL HA H 4.074 . 1 302 . 58 VAL HB H 1.978 . 1 303 . 58 VAL HG2 H 0.767 . 2 304 . 58 VAL N N 119.898 . 1 305 . 59 ASP H H 8.484 . 1 306 . 59 ASP HA H 4.670 . 1 307 . 59 ASP HB2 H 2.618 . 2 308 . 59 ASP HB3 H 2.770 . 2 309 . 59 ASP N N 123.344 . 1 310 . 60 ASP H H 8.043 . 1 311 . 60 ASP HA H 4.425 . 1 312 . 60 ASP HB2 H 2.698 . 2 313 . 60 ASP N N 124.328 . 1 stop_ save_