data_16257 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Nogo66 at pH4.0 ; _BMRB_accession_number 16257 _BMRB_flat_file_name bmr16257.str _Entry_type original _Submission_date 2009-04-14 _Accession_date 2009-04-14 _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 Schulz Jessica R. . 2 Vasudevan Sheeja V. . 3 Cocco Melanie J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 164 "13C chemical shifts" 73 "15N chemical shifts" 54 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-19 original author . stop_ _Original_release_date 2010-05-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Protein folding at the membrane interface, the structure of Nogo-66 requires interactions with a phosphocholine surface.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20351248 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vasudevan Sheeja V. . 2 Schulz Jessica . . 3 Zhou Chunyi . . 4 Cocco Melanie J. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 107 _Journal_issue 15 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6847 _Page_last 6851 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Nogo66 in pH 4.0' _Enzyme_commission_number NIL loop_ _Mol_system_component_name _Mol_label 'Aq. Nogo66' $Nogo66_at_pH4.0 stop_ _System_molecular_weight 9126 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'plays a role both in the restriction of axonal regeneration after injury and in structural plasticity in the CNS' 'Potent neurite growth inhibitor' stop_ _Database_query_date . _Details 'Nogo 66 in aqueous solution.' save_ ######################## # Monomeric polymers # ######################## save_Nogo66_at_pH4.0 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Nogo66_at_pH4.0 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Potent neurite growth inhibitor in vitro and plays a role both in the restriction of axonal regeneration after injury and in structural plasticity in the CNS.' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 79 _Mol_residue_sequence ; MHHHHHHLVPRGMRIYKGVI QAIQKSDEGHPFRAYLESEV AISEELVQKYSNSALGHVNS TIKELRRLFLVDDLVDSLK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 HIS 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 LEU 9 VAL 10 PRO 11 ARG 12 GLY 13 MET 14 ARG 15 ILE 16 TYR 17 LYS 18 GLY 19 VAL 20 ILE 21 GLN 22 ALA 23 ILE 24 GLN 25 LYS 26 SER 27 ASP 28 GLU 29 GLY 30 HIS 31 PRO 32 PHE 33 ARG 34 ALA 35 TYR 36 LEU 37 GLU 38 SER 39 GLU 40 VAL 41 ALA 42 ILE 43 SER 44 GLU 45 GLU 46 LEU 47 VAL 48 GLN 49 LYS 50 TYR 51 SER 52 ASN 53 SER 54 ALA 55 LEU 56 GLY 57 HIS 58 VAL 59 ASN 60 SER 61 THR 62 ILE 63 LYS 64 GLU 65 LEU 66 ARG 67 ARG 68 LEU 69 PHE 70 LEU 71 VAL 72 ASP 73 ASP 74 LEU 75 VAL 76 ASP 77 SER 78 LEU 79 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 79 100.00 100.00 5.77e-49 PDB 2G31 "Human Nogo-A Functional Domain: Nogo60" 75.95 60 98.33 98.33 1.23e-33 PDB 2JV5 Nogo54 68.35 54 98.15 98.15 7.93e-29 PDB 2KO2 Nogo66 100.00 79 100.00 100.00 5.77e-49 DBJ BAA74909 "KIAA0886 protein [Homo sapiens]" 83.54 1233 98.48 98.48 2.97e-33 DBJ BAA83712 "ASY [Homo sapiens]" 83.54 373 98.48 98.48 1.33e-35 DBJ BAB18927 "RTN-xL [Homo sapiens]" 83.54 1192 98.48 98.48 1.62e-33 DBJ BAB18928 "RTN-xS [Homo sapiens]" 83.54 373 98.48 98.48 1.33e-35 DBJ BAC75974 "Nogo-A [Mus musculus]" 83.54 578 100.00 100.00 4.42e-34 EMBL CAB71027 "Nogo-A protein [Rattus norvegicus]" 83.54 1163 100.00 100.00 3.78e-34 EMBL CAB71028 "Nogo-B protein [Rattus norvegicus]" 83.54 360 100.00 100.00 1.94e-36 EMBL CAB99248 "Nogo-A protein [Homo sapiens]" 83.54 1192 98.48 98.48 1.59e-33 EMBL CAB99249 "Nogo-B protein [Homo sapiens]" 83.54 373 98.48 98.48 1.33e-35 EMBL CAH93187 "hypothetical protein [Pongo abelii]" 83.54 199 98.48 98.48 6.04e-37 GB AAD31019 "foocen-m2 [Rattus norvegicus]" 83.54 379 100.00 100.00 2.57e-36 GB AAD31020 "foocen-m1 [Rattus norvegicus]" 83.54 358 100.00 100.00 1.88e-36 GB AAD31021 "foocen-m [Homo sapiens]" 83.54 373 98.48 98.48 1.33e-35 GB AAG12176 "reticulon 4a [Homo sapiens]" 83.54 1192 98.48 98.48 1.62e-33 GB AAG12177 "reticulon 4b [Homo sapiens]" 83.54 373 98.48 98.48 1.33e-35 REF NP_001106692 "reticulon-4 isoform 2 [Bos taurus]" 83.54 379 98.48 98.48 1.45e-35 REF NP_001126875 "reticulon-4 [Pongo abelii]" 83.54 199 98.48 98.48 6.04e-37 REF NP_001192056 "reticulon 4 [Macaca mulatta]" 83.54 1193 96.97 98.48 5.09e-33 REF NP_065393 "reticulon-4 isoform A [Homo sapiens]" 83.54 1192 98.48 98.48 1.62e-33 REF NP_114019 "reticulon-4 [Rattus norvegicus]" 83.54 1163 100.00 100.00 3.78e-34 SP Q99P72 "RecName: Full=Reticulon-4; AltName: Full=Neurite outgrowth inhibitor; Short=Nogo protein" 83.54 1162 100.00 100.00 6.08e-34 SP Q9JK11 "RecName: Full=Reticulon-4; AltName: Full=Foocen; AltName: Full=Glut4 vesicle 20 kDa protein; AltName: Full=Neurite outgrowth in" 83.54 1163 100.00 100.00 3.78e-34 SP Q9NQC3 "RecName: Full=Reticulon-4; AltName: Full=Foocen; AltName: Full=Neurite outgrowth inhibitor; Short=Nogo protein; AltName: Full=N" 83.54 1192 98.48 98.48 1.62e-33 TPG DAA24679 "TPA: reticulon 4 isoform 2 [Bos taurus]" 83.54 379 98.48 98.48 1.45e-35 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Nogo66_at_pH4.0 Mouse 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 $Nogo66_at_pH4.0 'recombinant technology' . Escherichia coli BL21 pET28 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 $Nogo66_at_pH4.0 1.0 mM 'natural abundance' $Nogo66_at_pH4.0 1.0 mM '[U-100% 15N]' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CCP-NMR _Saveframe_category software _Name NMRDraw,_CCP-NMR _Version 'Ver 4.1 ,Ver1.0.' loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' processing stop_ _Details 'NMRDraw was used for processing the data and assingments were performed using ANALYSIS.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_DQF-COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.0 . pH pressure 1.0 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 0.00 na indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . 'separate tube (no insert) similar to the experimental sample tube' . 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CCP-NMR stop_ loop_ _Experiment_label '3D HNCO' '3D HCACO' '3D HNCACB' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Aq. Nogo66' _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 12 12 GLY H H 8.521 0.000 1 2 12 12 GLY N N 110.191 0.018 1 3 13 13 MET H H 8.194 0.000 1 4 16 16 TYR C C 175.295 0.000 1 5 16 16 TYR CA C 57.747 0.000 1 6 17 17 LYS H H 8.378 0.004 1 7 17 17 LYS HA H 4.219 0.000 1 8 17 17 LYS HB2 H 1.645 0.000 2 9 17 17 LYS HB3 H 1.783 0.000 2 10 17 17 LYS C C 176.329 0.000 1 11 17 17 LYS CA C 56.265 0.000 1 12 17 17 LYS N N 125.120 0.023 1 13 18 18 GLY H H 7.861 0.003 1 14 18 18 GLY HA2 H 3.883 0.001 1 15 18 18 GLY HA3 H 3.883 0.000 1 16 18 18 GLY C C 173.562 0.000 1 17 18 18 GLY CA C 45.136 0.000 1 18 18 18 GLY N N 109.203 0.050 1 19 19 19 VAL H H 8.037 0.003 1 20 19 19 VAL HA H 4.138 0.000 1 21 19 19 VAL HB H 2.021 0.000 1 22 19 19 VAL C C 176.201 0.000 1 23 19 19 VAL CA C 62.176 0.000 1 24 19 19 VAL N N 119.888 0.058 1 25 20 20 ILE H H 8.373 0.005 1 26 20 20 ILE HA H 4.124 0.001 1 27 20 20 ILE HB H 1.813 0.000 1 28 20 20 ILE C C 176.119 0.000 1 29 20 20 ILE CA C 61.122 0.000 1 30 20 20 ILE N N 125.994 0.132 1 31 21 21 GLN H H 8.533 0.010 1 32 21 21 GLN HA H 4.335 0.000 1 33 21 21 GLN HB2 H 1.932 0.000 2 34 21 21 GLN HB3 H 2.050 0.000 2 35 21 21 GLN CA C 55.549 0.000 1 36 21 21 GLN N N 125.889 0.174 1 37 22 22 ALA H H 8.404 0.006 1 38 22 22 ALA HA H 4.320 0.000 1 39 22 22 ALA HB H 1.349 0.000 1 40 22 22 ALA C C 177.617 0.000 1 41 22 22 ALA CA C 52.462 0.000 1 42 22 22 ALA N N 126.374 0.093 1 43 23 23 ILE H H 8.186 0.002 1 44 23 23 ILE HA H 4.094 0.000 1 45 23 23 ILE HB H 1.797 0.000 1 46 23 23 ILE C C 176.283 0.000 1 47 23 23 ILE CA C 61.255 0.000 1 48 23 23 ILE N N 120.880 0.015 1 49 24 24 GLN H H 8.496 0.007 1 50 24 24 GLN HA H 4.345 0.000 1 51 24 24 GLN HB2 H 1.962 0.000 2 52 24 24 GLN HB3 H 2.056 0.000 2 53 24 24 GLN C C 175.856 0.000 1 54 24 24 GLN CA C 55.623 0.000 1 55 24 24 GLN N N 125.302 0.192 1 56 25 25 LYS H H 8.474 0.002 1 57 25 25 LYS HA H 4.335 0.000 1 58 25 25 LYS C C 176.716 0.000 1 59 25 25 LYS CA C 56.573 0.000 1 60 25 25 LYS N N 123.700 0.008 1 61 26 26 SER H H 8.421 0.001 1 62 26 26 SER HA H 4.430 0.000 1 63 26 26 SER HB2 H 3.853 0.000 1 64 26 26 SER HB3 H 3.853 0.000 1 65 26 26 SER C C 174.331 0.000 1 66 26 26 SER CA C 58.447 0.000 1 67 26 26 SER N N 117.137 0.054 1 68 27 27 ASP H H 8.452 0.019 1 69 27 27 ASP HA H 4.671 0.018 1 70 27 27 ASP HB2 H 2.793 0.000 2 71 27 27 ASP HB3 H 2.887 0.000 2 72 27 27 ASP C C 175.871 0.000 1 73 27 27 ASP CA C 53.638 0.000 1 74 27 27 ASP N N 122.003 0.077 1 75 28 28 GLU H H 8.312 0.001 1 76 28 28 GLU HA H 4.261 0.000 1 77 28 28 GLU HB2 H 1.963 0.000 1 78 28 28 GLU HB3 H 1.963 0.000 1 79 28 28 GLU C C 176.619 0.000 1 80 28 28 GLU CA C 56.465 0.000 1 81 28 28 GLU N N 120.857 0.013 1 82 29 29 GLY H H 8.419 0.003 1 83 29 29 GLY HA2 H 3.853 0.000 1 84 29 29 GLY HA3 H 3.853 0.000 1 85 29 29 GLY C C 173.591 0.000 1 86 29 29 GLY CA C 45.187 0.000 1 87 29 29 GLY N N 109.063 0.014 1 88 30 30 HIS H H 8.214 0.001 1 89 30 30 HIS HA H 4.957 0.000 1 90 30 30 HIS HB2 H 3.089 0.000 1 91 30 30 HIS N N 118.022 0.119 1 92 31 31 PRO C C 176.694 0.000 1 93 31 31 PRO CA C 63.341 0.000 1 94 32 32 PHE H H 8.480 0.005 1 95 32 32 PHE HA H 4.565 0.000 1 96 32 32 PHE HB2 H 3.094 0.000 1 97 32 32 PHE HB3 H 3.094 0.000 1 98 32 32 PHE CA C 58.188 0.000 1 99 32 32 PHE N N 121.376 0.010 1 100 33 33 ARG H H 8.086 0.003 1 101 33 33 ARG HA H 4.193 0.000 1 102 33 33 ARG HB2 H 1.483 0.000 2 103 33 33 ARG HB3 H 1.628 0.003 2 104 33 33 ARG CA C 55.828 0.000 1 105 33 33 ARG N N 123.970 0.062 1 106 34 34 ALA H H 8.170 0.002 1 107 34 34 ALA HA H 4.175 0.012 1 108 34 34 ALA HB H 1.314 0.000 1 109 34 34 ALA CA C 52.692 0.000 1 110 34 34 ALA N N 125.249 0.059 1 111 35 35 TYR H H 8.063 0.003 1 112 35 35 TYR HA H 4.502 0.000 1 113 35 35 TYR HB2 H 2.980 0.002 1 114 35 35 TYR HB3 H 2.980 0.002 1 115 35 35 TYR CA C 58.061 0.000 1 116 35 35 TYR N N 119.408 0.028 1 117 36 36 LEU H H 8.044 0.002 1 118 36 36 LEU HA H 4.255 0.000 1 119 36 36 LEU CA C 55.270 0.000 1 120 36 36 LEU N N 123.745 0.072 1 121 37 37 GLU H H 8.260 0.005 1 122 37 37 GLU HA H 4.255 0.000 1 123 37 37 GLU CA C 56.567 0.000 1 124 37 37 GLU N N 120.867 0.000 1 125 38 38 SER H H 8.226 0.009 1 126 38 38 SER HA H 4.386 0.000 1 127 38 38 SER HB2 H 3.865 0.000 1 128 38 38 SER HB3 H 3.865 0.000 1 129 38 38 SER CA C 58.765 0.000 1 130 38 38 SER N N 116.233 0.019 1 131 39 39 GLU H H 8.327 0.013 1 132 39 39 GLU HA H 4.312 0.000 1 133 39 39 GLU CA C 56.645 0.000 1 134 39 39 GLU N N 122.296 0.059 1 135 40 40 VAL H H 8.030 0.004 1 136 40 40 VAL HA H 3.985 0.001 1 137 40 40 VAL HB H 2.035 0.003 1 138 40 40 VAL C C 176.209 0.000 1 139 40 40 VAL CA C 63.230 0.000 1 140 40 40 VAL N N 120.867 0.007 1 141 41 41 ALA H H 8.202 0.003 1 142 41 41 ALA HA H 4.291 0.001 1 143 41 41 ALA HB H 1.380 0.000 1 144 41 41 ALA C C 178.416 0.000 1 145 41 41 ALA CA C 53.098 0.000 1 146 41 41 ALA N N 126.827 0.024 1 147 42 42 ILE H H 8.079 0.002 1 148 42 42 ILE HA H 4.062 0.000 1 149 42 42 ILE C C 176.928 0.000 1 150 42 42 ILE CA C 62.085 0.000 1 151 42 42 ILE N N 119.901 0.037 1 152 43 43 SER H H 8.233 0.004 1 153 43 43 SER HA H 4.359 0.000 1 154 43 43 SER HB2 H 3.923 0.000 1 155 43 43 SER HB3 H 3.923 0.000 1 156 43 43 SER N N 118.361 0.000 1 157 45 45 GLU H H 8.200 0.005 1 158 45 45 GLU CA C 56.977 0.000 1 159 45 45 GLU N N 120.032 0.000 1 160 46 46 LEU H H 8.076 0.003 1 161 46 46 LEU HA H 4.270 0.000 1 162 46 46 LEU CA C 56.021 0.000 1 163 46 46 LEU N N 122.101 0.191 1 164 47 47 VAL H H 7.938 0.002 1 165 47 47 VAL HA H 3.957 0.003 1 166 47 47 VAL HB H 2.076 0.000 1 167 47 47 VAL CA C 63.411 0.000 1 168 47 47 VAL N N 120.265 0.135 1 169 48 48 GLN H H 8.287 0.003 1 170 48 48 GLN HA H 4.234 0.000 1 171 48 48 GLN CA C 56.497 0.000 1 172 48 48 GLN N N 123.266 0.084 1 173 49 49 LYS H H 8.181 0.002 1 174 49 49 LYS HA H 4.214 0.000 1 175 49 49 LYS CA C 57.036 0.000 1 176 49 49 LYS N N 121.760 0.109 1 177 50 50 TYR H H 8.156 0.003 1 178 50 50 TYR HA H 4.623 0.003 1 179 50 50 TYR HB2 H 2.915 0.000 2 180 50 50 TYR HB3 H 3.119 0.000 2 181 50 50 TYR CA C 57.918 0.000 1 182 50 50 TYR N N 120.309 0.000 1 183 51 51 SER H H 8.192 0.002 1 184 51 51 SER HA H 4.396 0.000 1 185 51 51 SER HB2 H 3.851 0.000 1 186 51 51 SER HB3 H 3.851 0.000 1 187 51 51 SER CA C 58.561 0.000 1 188 51 51 SER N N 117.100 0.059 1 189 52 52 ASN H H 8.429 0.004 1 190 52 52 ASN HA H 4.706 0.000 1 191 52 52 ASN HB2 H 2.832 0.000 1 192 52 52 ASN HB3 H 2.832 0.000 1 193 52 52 ASN CA C 53.543 0.000 1 194 52 52 ASN N N 121.051 0.145 1 195 53 53 SER H H 8.287 0.003 1 196 53 53 SER HA H 4.385 0.002 1 197 53 53 SER HB2 H 3.885 0.006 1 198 53 53 SER HB3 H 3.885 0.006 1 199 53 53 SER CA C 58.897 0.000 1 200 53 53 SER N N 116.616 0.039 1 201 54 54 ALA H H 8.300 0.003 1 202 54 54 ALA HA H 4.381 0.000 1 203 54 54 ALA CA C 52.976 0.000 1 204 54 54 ALA N N 125.756 0.038 1 205 55 55 LEU H H 8.031 0.015 1 206 55 55 LEU HA H 4.289 0.005 1 207 55 55 LEU HB2 H 1.621 0.000 1 208 55 55 LEU HB3 H 1.621 0.000 1 209 55 55 LEU CA C 55.522 0.000 1 210 55 55 LEU N N 119.954 0.090 1 211 56 56 GLY H H 8.251 0.002 1 212 56 56 GLY HA2 H 3.878 0.000 1 213 56 56 GLY HA3 H 3.878 0.000 1 214 56 56 GLY CA C 45.337 0.000 1 215 56 56 GLY N N 108.661 0.029 1 216 57 57 HIS H H 8.284 0.003 1 217 57 57 HIS HA H 4.730 0.002 1 218 57 57 HIS HB2 H 3.154 0.000 2 219 57 57 HIS HB3 H 3.241 0.000 2 220 57 57 HIS CA C 55.295 0.000 1 221 57 57 HIS N N 118.103 0.070 1 222 58 58 VAL H H 8.220 0.006 1 223 58 58 VAL HA H 4.082 0.004 1 224 58 58 VAL HB H 2.027 0.000 1 225 58 58 VAL HG1 H 0.894 0.000 1 226 58 58 VAL HG2 H 0.894 0.000 1 227 58 58 VAL CA C 62.488 0.000 1 228 58 58 VAL N N 121.758 0.112 1 229 59 59 ASN H H 8.623 0.004 1 230 59 59 ASN HA H 4.744 0.002 1 231 59 59 ASN HB2 H 2.809 0.000 1 232 59 59 ASN HB3 H 2.809 0.000 1 233 59 59 ASN CA C 53.370 0.000 1 234 59 59 ASN N N 122.997 0.050 1 235 60 60 SER H H 8.382 0.006 1 236 60 60 SER HA H 4.475 0.000 1 237 60 60 SER HB2 H 3.857 0.000 1 238 60 60 SER HB3 H 3.857 0.000 1 239 60 60 SER CA C 58.788 0.000 1 240 60 60 SER N N 116.979 0.139 1 241 61 61 THR H H 8.255 0.006 1 242 61 61 THR HA H 4.472 0.000 1 243 61 61 THR CA C 62.564 0.000 1 244 61 61 THR N N 116.220 0.024 1 245 62 62 ILE H H 8.095 0.001 1 246 62 62 ILE HA H 4.064 0.000 1 247 62 62 ILE CA C 61.958 0.000 1 248 62 62 ILE N N 123.278 0.077 1 249 63 63 LYS H H 8.297 0.002 1 250 63 63 LYS HA H 4.219 0.000 1 251 63 63 LYS CA C 57.252 0.000 1 252 63 63 LYS N N 124.744 0.097 1 253 64 64 GLU H H 8.198 0.005 1 254 64 64 GLU HA H 4.206 0.000 1 255 64 64 GLU CA C 56.416 0.000 1 256 64 64 GLU N N 121.142 0.000 1 257 65 65 LEU H H 8.265 0.003 1 258 65 65 LEU N N 123.316 0.146 1 259 73 73 ASP C C 175.340 0.000 1 260 73 73 ASP CA C 53.498 0.000 1 261 74 74 LEU H H 8.126 0.003 1 262 74 74 LEU HA H 4.332 0.001 1 263 74 74 LEU C C 177.664 0.000 1 264 74 74 LEU CA C 55.653 0.000 1 265 74 74 LEU N N 122.305 0.043 1 266 75 75 VAL H H 7.987 0.001 1 267 75 75 VAL HA H 4.035 0.000 1 268 75 75 VAL HB H 2.069 0.000 1 269 75 75 VAL HG1 H 0.915 0.000 1 270 75 75 VAL HG2 H 0.915 0.000 1 271 75 75 VAL C C 176.189 0.000 1 272 75 75 VAL CA C 62.871 0.000 1 273 75 75 VAL N N 119.891 0.023 1 274 76 76 ASP H H 8.410 0.006 1 275 76 76 ASP HA H 4.699 0.003 1 276 76 76 ASP HB2 H 2.783 0.000 2 277 76 76 ASP HB3 H 2.886 0.000 2 278 76 76 ASP CA C 53.663 0.000 1 279 76 76 ASP N N 122.317 0.177 1 280 77 77 SER H H 8.188 0.006 1 281 77 77 SER HA H 3.863 0.004 1 282 77 77 SER C C 174.328 0.000 1 283 77 77 SER CA C 58.652 0.000 1 284 77 77 SER N N 116.367 0.236 1 285 78 78 LEU H H 8.141 0.002 1 286 78 78 LEU HA H 4.391 0.000 1 287 78 78 LEU CA C 55.312 0.000 1 288 78 78 LEU N N 123.752 0.058 1 289 79 79 LYS H H 8.053 0.000 1 290 79 79 LYS HA H 4.269 0.000 1 291 79 79 LYS N N 124.585 0.251 1 stop_ save_