data_18306 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Human APOBEC2 chemical shifts, RDC, NOE, and T1/T2 data ; _BMRB_accession_number 18306 _BMRB_flat_file_name bmr18306.str _Entry_type original _Submission_date 2012-03-01 _Accession_date 2012-03-01 _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 Krzysiak Troy C. . 2 Jung Jinwon . . 3 Thompson James . . 4 Baker David . . 5 Gronenborn Angela M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 residual_dipolar_couplings 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 158 "13C chemical shifts" 466 "15N chemical shifts" 158 "T1 relaxation values" 108 "T2 relaxation values" 108 "residual dipolar couplings" 304 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-28 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 18307 'A2POBEC2 1-224' stop_ _Original_release_date 2012-03-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'APOBEC2 is a Monomer in Solution: Implications for APOBEC3G Models' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22339232 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Krzysiak Troy C. . 2 Jung Jinwon . . 3 Thompson James . . 4 Baker David . . 5 Gronenborn Angela M. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 51 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2008 _Page_last 2017 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'A2POBEC2 41-224' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'A2POBEC2 41-224' $APOBEC2_41-224 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_APOBEC2_41-224 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common APOBEC2_41-224 _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 187 _Mol_residue_sequence ; SEFIVTGERLPANFFKFQFR NVEYSSGRNKTFLCYVVEAQ GKGGQVQASRGYLEDEHAAA HAEEAFFNTILPAFDPALRY NVTWYVSSSPCAACADRIIK TLSKTKNLRLLILVGRLFMW EEPEIQAALKKLKEAGCKLR IMKPQDFEYVWQNFVEQEEG ESKAFQPWEDIQENFLYYEE KLADILK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 38 SER 2 39 GLU 3 40 PHE 4 41 ILE 5 42 VAL 6 43 THR 7 44 GLY 8 45 GLU 9 46 ARG 10 47 LEU 11 48 PRO 12 49 ALA 13 50 ASN 14 51 PHE 15 52 PHE 16 53 LYS 17 54 PHE 18 55 GLN 19 56 PHE 20 57 ARG 21 58 ASN 22 59 VAL 23 60 GLU 24 61 TYR 25 62 SER 26 63 SER 27 64 GLY 28 65 ARG 29 66 ASN 30 67 LYS 31 68 THR 32 69 PHE 33 70 LEU 34 71 CYS 35 72 TYR 36 73 VAL 37 74 VAL 38 75 GLU 39 76 ALA 40 77 GLN 41 78 GLY 42 79 LYS 43 80 GLY 44 81 GLY 45 82 GLN 46 83 VAL 47 84 GLN 48 85 ALA 49 86 SER 50 87 ARG 51 88 GLY 52 89 TYR 53 90 LEU 54 91 GLU 55 92 ASP 56 93 GLU 57 94 HIS 58 95 ALA 59 96 ALA 60 97 ALA 61 98 HIS 62 99 ALA 63 100 GLU 64 101 GLU 65 102 ALA 66 103 PHE 67 104 PHE 68 105 ASN 69 106 THR 70 107 ILE 71 108 LEU 72 109 PRO 73 110 ALA 74 111 PHE 75 112 ASP 76 113 PRO 77 114 ALA 78 115 LEU 79 116 ARG 80 117 TYR 81 118 ASN 82 119 VAL 83 120 THR 84 121 TRP 85 122 TYR 86 123 VAL 87 124 SER 88 125 SER 89 126 SER 90 127 PRO 91 128 CYS 92 129 ALA 93 130 ALA 94 131 CYS 95 132 ALA 96 133 ASP 97 134 ARG 98 135 ILE 99 136 ILE 100 137 LYS 101 138 THR 102 139 LEU 103 140 SER 104 141 LYS 105 142 THR 106 143 LYS 107 144 ASN 108 145 LEU 109 146 ARG 110 147 LEU 111 148 LEU 112 149 ILE 113 150 LEU 114 151 VAL 115 152 GLY 116 153 ARG 117 154 LEU 118 155 PHE 119 156 MET 120 157 TRP 121 158 GLU 122 159 GLU 123 160 PRO 124 161 GLU 125 162 ILE 126 163 GLN 127 164 ALA 128 165 ALA 129 166 LEU 130 167 LYS 131 168 LYS 132 169 LEU 133 170 LYS 134 171 GLU 135 172 ALA 136 173 GLY 137 174 CYS 138 175 LYS 139 176 LEU 140 177 ARG 141 178 ILE 142 179 MET 143 180 LYS 144 181 PRO 145 182 GLN 146 183 ASP 147 184 PHE 148 185 GLU 149 186 TYR 150 187 VAL 151 188 TRP 152 189 GLN 153 190 ASN 154 191 PHE 155 192 VAL 156 193 GLU 157 194 GLN 158 195 GLU 159 196 GLU 160 197 GLY 161 198 GLU 162 199 SER 163 200 LYS 164 201 ALA 165 202 PHE 166 203 GLN 167 204 PRO 168 205 TRP 169 206 GLU 170 207 ASP 171 208 ILE 172 209 GLN 173 210 GLU 174 211 ASN 175 212 PHE 176 213 LEU 177 214 TYR 178 215 TYR 179 216 GLU 180 217 GLU 181 218 LYS 182 219 LEU 183 220 ALA 184 221 ASP 185 222 ILE 186 223 LEU 187 224 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 18307 APOBEC2_1-224 98.40 227 100.00 100.00 1.76e-132 PDB 2NYT "The Apobec2 Crystal Structure And Functional Implications For Aid" 98.93 190 99.46 99.46 2.22e-132 DBJ BAD97181 "apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 2 variant [Homo sapiens]" 98.40 224 99.46 99.46 5.95e-132 DBJ BAG36096 "unnamed protein product [Homo sapiens]" 98.40 224 100.00 100.00 1.22e-132 EMBL CAH90732 "hypothetical protein [Pongo abelii]" 98.40 224 98.91 98.91 3.32e-130 GB AAD45360 "APOBEC-2 protein [Homo sapiens]" 98.40 224 100.00 100.00 1.22e-132 GB AAH47767 "Apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 2 [Homo sapiens]" 98.40 224 100.00 100.00 1.22e-132 GB AAH69688 "Apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 2 [Homo sapiens]" 98.40 224 100.00 100.00 1.22e-132 GB AAH69764 "Apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 2 [Homo sapiens]" 98.40 224 100.00 100.00 1.22e-132 GB AAT44388 "Apobec2 [Pongo pygmaeus]" 98.40 224 98.91 98.91 3.32e-130 REF NP_001125408 "probable C->U-editing enzyme APOBEC-2 [Pongo abelii]" 98.40 224 98.91 98.91 3.32e-130 REF NP_006780 "C->U-editing enzyme APOBEC-2 [Homo sapiens]" 98.40 224 100.00 100.00 1.22e-132 REF XP_001117195 "PREDICTED: probable C->U-editing enzyme APOBEC-2 [Macaca mulatta]" 98.40 224 98.91 99.46 1.07e-131 REF XP_002746566 "PREDICTED: probable C->U-editing enzyme APOBEC-2 [Callithrix jacchus]" 98.40 224 98.37 99.46 2.57e-131 REF XP_003266357 "PREDICTED: probable C->U-editing enzyme APOBEC-2 [Nomascus leucogenys]" 98.40 224 100.00 100.00 1.33e-132 SP Q694B4 "RecName: Full=Probable C->U-editing enzyme APOBEC-2; AltName: Full=mRNA(cytosine(6666)) deaminase 2" 98.40 224 98.91 98.91 3.32e-130 SP Q9Y235 "RecName: Full=C->U-editing enzyme APOBEC-2; AltName: Full=mRNA(cytosine(6666)) deaminase 2" 98.40 224 100.00 100.00 1.22e-132 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $APOBEC2_41-224 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 $APOBEC2_41-224 'recombinant technology' . Escherichia coli . 'pET41a modified' 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 HEPES 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 5 mM 'natural abundance' $APOBEC2_41-224 1 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_2D_15N_T1_Relaxation_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N T1 Relaxation' _Sample_label $sample_1 save_ save_2D_1H-15N_Heteronuclear_NOE_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N Heteronuclear NOE' _Sample_label $sample_1 save_ save_2D_15N_RDC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N RDC' _Sample_label $sample_1 save_ save_2D_15N_RDC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N RDC' _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 'ionic strength' 50 . mM pH 7.0 . pH pressure 1 . atm temperature 310 . 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 . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_APOBEC2_41-224_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D HN(COCA)CB' '3D HNCO' '3D HCACO' '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 'A2POBEC2 41-224' _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 40 3 PHE H H 8.212 0.020 1 2 40 3 PHE C C 174.991 0.3 1 3 40 3 PHE CA C 57.261 0.3 1 4 40 3 PHE CB C 38.771 0.3 1 5 40 3 PHE N N 120.262 0.3 1 6 41 4 ILE H H 7.894 0.020 1 7 41 4 ILE C C 175.541 0.3 1 8 41 4 ILE CA C 59.951 0.3 1 9 41 4 ILE CB C 37.910 0.3 1 10 41 4 ILE N N 122.669 0.3 1 11 42 5 VAL H H 8.257 0.020 1 12 42 5 VAL C C 175.689 0.3 1 13 42 5 VAL CA C 61.836 0.3 1 14 42 5 VAL CB C 31.884 0.3 1 15 42 5 VAL N N 126.051 0.3 1 16 43 6 THR H H 8.224 0.020 1 17 43 6 THR C C 174.658 0.3 1 18 43 6 THR CA C 60.543 0.3 1 19 43 6 THR CB C 69.582 0.3 1 20 43 6 THR N N 118.093 0.3 1 21 44 7 GLY H H 8.136 0.020 1 22 44 7 GLY C C 173.202 0.3 1 23 44 7 GLY CA C 44.753 0.3 1 24 44 7 GLY N N 110.683 0.3 1 25 45 8 GLU H H 8.465 0.020 1 26 45 8 GLU C C 176.538 0.3 1 27 45 8 GLU CA C 57.124 0.3 1 28 45 8 GLU CB C 30.019 0.3 1 29 45 8 GLU N N 120.526 0.3 1 30 46 9 ARG H H 8.160 0.020 1 31 46 9 ARG C C 174.976 0.3 1 32 46 9 ARG CA C 54.541 0.3 1 33 46 9 ARG CB C 32.315 0.3 1 34 46 9 ARG N N 117.664 0.3 1 35 47 10 LEU H H 8.521 0.020 1 36 47 10 LEU C C 174.385 0.3 1 37 47 10 LEU CA C 52.048 0.3 1 38 47 10 LEU CB C 41.127 0.3 1 39 47 10 LEU N N 122.954 0.3 1 40 49 12 ALA H H 8.505 0.020 1 41 49 12 ALA C C 179.753 0.3 1 42 49 12 ALA CA C 55.422 0.3 1 43 49 12 ALA CB C 17.968 0.3 1 44 49 12 ALA N N 126.249 0.3 1 45 51 14 PHE H H 7.281 0.020 1 46 51 14 PHE C C 177.889 0.3 1 47 51 14 PHE CA C 57.813 0.3 1 48 51 14 PHE CB C 36.700 0.3 1 49 51 14 PHE N N 118.100 0.3 1 50 52 15 PHE H H 7.882 0.020 1 51 52 15 PHE C C 176.326 0.3 1 52 52 15 PHE CA C 61.349 0.3 1 53 52 15 PHE CB C 38.484 0.3 1 54 52 15 PHE N N 119.661 0.3 1 55 53 16 LYS H H 8.475 0.020 1 56 53 16 LYS C C 177.145 0.3 1 57 53 16 LYS CA C 59.343 0.3 1 58 53 16 LYS CB C 31.526 0.3 1 59 53 16 LYS N N 116.042 0.3 1 60 54 17 PHE H H 7.510 0.020 1 61 54 17 PHE C C 177.336 0.3 1 62 54 17 PHE CA C 59.012 0.3 1 63 54 17 PHE CB C 39.273 0.3 1 64 54 17 PHE N N 113.595 0.3 1 65 55 18 GLN H H 8.225 0.020 1 66 55 18 GLN C C 177.069 0.3 1 67 55 18 GLN CA C 56.881 0.3 1 68 55 18 GLN CB C 27.682 0.3 1 69 55 18 GLN N N 114.749 0.3 1 70 56 19 PHE H H 8.052 0.020 1 71 56 19 PHE C C 175.082 0.3 1 72 56 19 PHE CA C 58.371 0.3 1 73 56 19 PHE CB C 38.541 0.3 1 74 56 19 PHE N N 116.855 0.3 1 75 59 22 VAL H H 8.521 0.020 1 76 59 22 VAL C C 175.947 0.3 1 77 59 22 VAL CA C 56.718 0.3 1 78 59 22 VAL CB C 28.943 0.3 1 79 59 22 VAL N N 123.118 0.3 1 80 60 23 GLU H H 7.948 0.020 1 81 60 23 GLU C C 175.750 0.3 1 82 60 23 GLU CA C 57.003 0.3 1 83 60 23 GLU CB C 30.091 0.3 1 84 60 23 GLU N N 120.739 0.3 1 85 62 25 SER H H 6.883 0.020 1 86 62 25 SER C C 173.050 0.3 1 87 62 25 SER CA C 56.213 0.3 1 88 62 25 SER CB C 64.738 0.3 1 89 62 25 SER N N 110.947 0.3 1 90 63 26 SER H H 7.519 0.020 1 91 63 26 SER C C 172.965 0.3 1 92 63 26 SER CA C 58.006 0.3 1 93 63 26 SER CB C 61.080 0.3 1 94 63 26 SER N N 115.493 0.3 1 95 67 30 LYS H H 7.708 0.020 1 96 67 30 LYS C C 176.295 0.3 1 97 67 30 LYS CA C 55.483 0.3 1 98 67 30 LYS CB C 33.893 0.3 1 99 67 30 LYS N N 120.888 0.3 1 100 69 32 PHE H H 7.915 0.020 1 101 69 32 PHE CA C 56.826 0.3 1 102 69 32 PHE CB C 42.142 0.3 1 103 69 32 PHE N N 122.753 0.3 1 104 70 33 LEU H H 9.101 0.020 1 105 70 33 LEU C C 175.093 0.3 1 106 70 33 LEU CA C 54.176 0.3 1 107 70 33 LEU CB C 45.514 0.3 1 108 70 33 LEU N N 126.852 0.3 1 109 71 34 CYS H H 9.421 0.020 1 110 71 34 CYS C C 173.369 0.3 1 111 71 34 CYS CA C 57.398 0.3 1 112 71 34 CYS CB C 26.863 0.3 1 113 71 34 CYS N N 125.312 0.3 1 114 72 35 TYR H H 8.991 0.020 1 115 72 35 TYR C C 173.445 0.3 1 116 72 35 TYR CA C 54.632 0.3 1 117 72 35 TYR CB C 42.286 0.3 1 118 72 35 TYR N N 120.707 0.3 1 119 73 36 VAL H H 9.297 0.020 1 120 73 36 VAL C C 176.038 0.3 1 121 73 36 VAL CA C 61.866 0.3 1 122 73 36 VAL CB C 34.395 0.3 1 123 73 36 VAL N N 118.287 0.3 1 124 74 37 VAL H H 9.647 0.020 1 125 74 37 VAL C C 174.915 0.3 1 126 74 37 VAL CA C 61.532 0.3 1 127 74 37 VAL CB C 32.960 0.3 1 128 74 37 VAL N N 126.770 0.3 1 129 75 38 GLU H H 8.773 0.020 1 130 75 38 GLU C C 174.552 0.3 1 131 75 38 GLU CA C 54.936 0.3 1 132 75 38 GLU CB C 31.239 0.3 1 133 75 38 GLU N N 126.184 0.3 1 134 76 39 ALA H H 8.914 0.020 1 135 76 39 ALA C C 176.159 0.3 1 136 76 39 ALA CA C 49.799 0.3 1 137 76 39 ALA CB C 20.263 0.3 1 138 76 39 ALA N N 128.103 0.3 1 139 77 40 GLN H H 8.906 0.020 1 140 77 40 GLN C C 175.583 0.3 1 141 77 40 GLN CA C 54.450 0.3 1 142 77 40 GLN CB C 30.736 0.3 1 143 77 40 GLN N N 122.628 0.3 1 144 78 41 GLY H H 8.639 0.020 1 145 78 41 GLY C C 174.324 0.3 1 146 78 41 GLY CA C 43.750 0.3 1 147 78 41 GLY N N 113.053 0.3 1 148 82 45 GLN H H 7.924 0.020 1 149 82 45 GLN C C 175.734 0.3 1 150 82 45 GLN CA C 55.878 0.3 1 151 82 45 GLN CB C 28.154 0.3 1 152 82 45 GLN N N 120.358 0.3 1 153 83 46 VAL H H 8.496 0.020 1 154 83 46 VAL C C 175.583 0.3 1 155 83 46 VAL CA C 61.319 0.3 1 156 83 46 VAL CB C 33.104 0.3 1 157 83 46 VAL N N 123.694 0.3 1 158 84 47 GLN H H 8.586 0.020 1 159 84 47 GLN C C 174.521 0.3 1 160 84 47 GLN CA C 54.571 0.3 1 161 84 47 GLN CB C 29.876 0.3 1 162 84 47 GLN N N 125.319 0.3 1 163 85 48 ALA H H 8.836 0.020 1 164 85 48 ALA C C 176.947 0.3 1 165 85 48 ALA CA C 50.529 0.3 1 166 85 48 ALA CB C 20.981 0.3 1 167 85 48 ALA N N 128.604 0.3 1 168 86 49 SER H H 9.085 0.020 1 169 86 49 SER C C 172.793 0.3 1 170 86 49 SER CA C 57.216 0.3 1 171 86 49 SER CB C 65.241 0.3 1 172 86 49 SER N N 116.073 0.3 1 173 87 50 ARG H H 8.569 0.020 1 174 87 50 ARG C C 174.764 0.3 1 175 87 50 ARG CA C 54.328 0.3 1 176 87 50 ARG CB C 33.175 0.3 1 177 87 50 ARG N N 120.017 0.3 1 178 88 51 GLY H H 7.332 0.020 1 179 88 51 GLY C C 169.866 0.3 1 180 88 51 GLY CA C 45.118 0.3 1 181 88 51 GLY N N 107.720 0.3 1 182 89 52 TYR H H 8.669 0.020 1 183 89 52 TYR C C 173.293 0.3 1 184 89 52 TYR CA C 55.240 0.3 1 185 89 52 TYR CB C 42.860 0.3 1 186 89 52 TYR N N 117.580 0.3 1 187 90 53 LEU H H 9.414 0.020 1 188 90 53 LEU C C 174.203 0.3 1 189 90 53 LEU CA C 53.477 0.3 1 190 90 53 LEU CB C 46.231 0.3 1 191 90 53 LEU N N 122.018 0.3 1 192 91 54 GLU H H 8.287 0.020 1 193 91 54 GLU C C 175.552 0.3 1 194 91 54 GLU CA C 53.199 0.3 1 195 91 54 GLU CB C 32.569 0.3 1 196 91 54 GLU N N 118.228 0.3 1 197 92 55 ASP H H 7.423 0.020 1 198 92 55 ASP C C 176.144 0.3 1 199 92 55 ASP CA C 54.182 0.3 1 200 92 55 ASP CB C 41.640 0.3 1 201 92 55 ASP N N 120.519 0.3 1 202 93 56 GLU H H 8.118 0.020 1 203 93 56 GLU C C 177.236 0.3 1 204 93 56 GLU CA C 56.820 0.3 1 205 93 56 GLU CB C 29.876 0.3 1 206 93 56 GLU N N 120.326 0.3 1 207 96 59 ALA H H 8.432 0.020 1 208 96 59 ALA C C 175.992 0.3 1 209 96 59 ALA CA C 50.985 0.3 1 210 96 59 ALA CB C 18.316 0.3 1 211 96 59 ALA N N 121.465 0.3 1 212 97 60 ALA H H 7.476 0.020 1 213 97 60 ALA C C 176.356 0.3 1 214 97 60 ALA CA C 51.592 0.3 1 215 97 60 ALA CB C 18.046 0.3 1 216 97 60 ALA N N 123.689 0.3 1 217 98 61 HIS H H 8.779 0.020 1 218 98 61 HIS C C 177.417 0.3 1 219 98 61 HIS CA C 53.659 0.3 1 220 98 61 HIS CB C 31.741 0.3 1 221 98 61 HIS N N 121.387 0.3 1 222 100 63 GLU H H 11.776 0.020 1 223 100 63 GLU C C 178.433 0.3 1 224 100 63 GLU CA C 60.219 0.3 1 225 100 63 GLU CB C 26.432 0.3 1 226 100 63 GLU N N 117.785 0.3 1 227 101 64 GLU H H 6.641 0.020 1 228 101 64 GLU C C 178.706 0.3 1 229 101 64 GLU CA C 59.434 0.3 1 230 101 64 GLU CB C 28.716 0.3 1 231 101 64 GLU N N 114.188 0.3 1 232 102 65 ALA H H 8.185 0.020 1 233 102 65 ALA C C 180.784 0.3 1 234 102 65 ALA CA C 54.518 0.3 1 235 102 65 ALA CB C 17.035 0.3 1 236 102 65 ALA N N 121.635 0.3 1 237 103 66 PHE H H 8.492 0.020 1 238 103 66 PHE C C 176.705 0.3 1 239 103 66 PHE CA C 62.292 0.3 1 240 103 66 PHE CB C 37.473 0.3 1 241 103 66 PHE N N 120.029 0.3 1 242 104 67 PHE H H 7.077 0.020 1 243 104 67 PHE C C 175.158 0.3 1 244 104 67 PHE CA C 60.346 0.3 1 245 104 67 PHE CB C 38.022 0.3 1 246 104 67 PHE N N 116.704 0.3 1 247 105 68 ASN H H 8.152 0.020 1 248 105 68 ASN C C 176.963 0.3 1 249 105 68 ASN CA C 54.115 0.3 1 250 105 68 ASN CB C 38.272 0.3 1 251 105 68 ASN N N 114.992 0.3 1 252 106 69 THR H H 7.975 0.020 1 253 106 69 THR C C 173.809 0.3 1 254 106 69 THR CA C 62.899 0.3 1 255 106 69 THR CB C 70.405 0.3 1 256 106 69 THR N N 108.807 0.3 1 257 107 70 ILE H H 7.096 0.020 1 258 107 70 ILE C C 175.916 0.3 1 259 107 70 ILE CA C 60.255 0.3 1 260 107 70 ILE CB C 32.960 0.3 1 261 107 70 ILE N N 122.140 0.3 1 262 108 71 LEU H H 6.738 0.020 1 263 108 71 LEU C C 171.761 0.3 1 264 108 71 LEU CA C 51.775 0.3 1 265 108 71 LEU CB C 41.712 0.3 1 266 108 71 LEU N N 117.789 0.3 1 267 110 73 ALA H H 6.838 0.020 1 268 110 73 ALA C C 175.204 0.3 1 269 110 73 ALA CA C 50.559 0.3 1 270 110 73 ALA CB C 20.048 0.3 1 271 110 73 ALA N N 118.782 0.3 1 272 111 74 PHE H H 8.334 0.020 1 273 111 74 PHE C C 175.037 0.3 1 274 111 74 PHE CA C 56.030 0.3 1 275 111 74 PHE CB C 39.273 0.3 1 276 111 74 PHE N N 118.287 0.3 1 277 112 75 ASP H H 8.949 0.020 1 278 112 75 ASP C C 176.644 0.3 1 279 112 75 ASP CA C 51.471 0.3 1 280 112 75 ASP CB C 41.640 0.3 1 281 112 75 ASP N N 128.103 0.3 1 282 114 77 ALA H H 8.842 0.020 1 283 114 77 ALA C C 177.675 0.3 1 284 114 77 ALA CA C 52.079 0.3 1 285 114 77 ALA CB C 18.255 0.3 1 286 114 77 ALA N N 119.717 0.3 1 287 115 78 LEU H H 7.724 0.020 1 288 115 78 LEU C C 175.992 0.3 1 289 115 78 LEU CA C 52.960 0.3 1 290 115 78 LEU CB C 42.681 0.3 1 291 115 78 LEU N N 118.573 0.3 1 292 116 79 ARG H H 8.272 0.020 1 293 116 79 ARG C C 175.537 0.3 1 294 116 79 ARG CA C 54.875 0.3 1 295 116 79 ARG CB C 30.306 0.3 1 296 116 79 ARG N N 118.910 0.3 1 297 117 80 TYR H H 8.912 0.020 1 298 117 80 TYR C C 174.688 0.3 1 299 117 80 TYR CA C 57.550 0.3 1 300 117 80 TYR CB C 40.421 0.3 1 301 117 80 TYR N N 121.796 0.3 1 302 118 81 ASN H H 9.310 0.020 1 303 118 81 ASN C C 174.445 0.3 1 304 118 81 ASN CA C 52.444 0.3 1 305 118 81 ASN CB C 39.416 0.3 1 306 118 81 ASN N N 124.335 0.3 1 307 119 82 VAL H H 9.140 0.020 1 308 119 82 VAL C C 174.203 0.3 1 309 119 82 VAL CA C 60.741 0.3 1 310 119 82 VAL CB C 32.889 0.3 1 311 119 82 VAL N N 127.416 0.3 1 312 120 83 THR H H 9.272 0.020 1 313 120 83 THR C C 173.338 0.3 1 314 120 83 THR CA C 61.319 0.3 1 315 120 83 THR CB C 70.262 0.3 1 316 120 83 THR N N 125.325 0.3 1 317 121 84 TRP H H 9.280 0.020 1 318 121 84 TRP C C 174.218 0.3 1 319 121 84 TRP CA C 52.200 0.3 1 320 121 84 TRP CB C 33.032 0.3 1 321 121 84 TRP N N 125.639 0.3 1 322 122 85 TYR H H 9.506 0.020 1 323 122 85 TYR C C 175.795 0.3 1 324 122 85 TYR CA C 56.547 0.3 1 325 122 85 TYR CB C 37.766 0.3 1 326 122 85 TYR N N 121.204 0.3 1 327 123 86 VAL H H 9.349 0.020 1 328 123 86 VAL C C 175.719 0.3 1 329 123 86 VAL CA C 57.671 0.3 1 330 123 86 VAL CB C 34.395 0.3 1 331 123 86 VAL N N 118.761 0.3 1 332 124 87 SER H H 8.639 0.020 1 333 124 87 SER C C 175.689 0.3 1 334 124 87 SER CA C 61.095 0.3 1 335 124 87 SER N N 119.341 0.3 1 336 128 91 CYS H H 8.271 0.020 1 337 128 91 CYS C C 174.658 0.3 1 338 128 91 CYS CA C 57.033 0.3 1 339 128 91 CYS CB C 28.441 0.3 1 340 128 91 CYS N N 117.167 0.3 1 341 129 92 ALA H H 8.584 0.020 1 342 129 92 ALA C C 179.677 0.3 1 343 129 92 ALA CA C 55.301 0.3 1 344 129 92 ALA CB C 16.820 0.3 1 345 129 92 ALA N N 120.393 0.3 1 346 130 93 ALA H H 8.209 0.020 1 347 130 93 ALA C C 181.618 0.3 1 348 130 93 ALA CA C 54.966 0.3 1 349 130 93 ALA CB C 17.681 0.3 1 350 130 93 ALA N N 123.075 0.3 1 351 131 94 CYS H H 8.965 0.020 1 352 131 94 CYS C C 178.265 0.3 1 353 131 94 CYS CA C 65.483 0.3 1 354 131 94 CYS CB C 28.584 0.3 1 355 131 94 CYS N N 123.692 0.3 1 356 132 95 ALA H H 8.734 0.020 1 357 132 95 ALA C C 178.600 0.3 1 358 132 95 ALA CA C 55.513 0.3 1 359 132 95 ALA CB C 16.820 0.3 1 360 132 95 ALA N N 120.623 0.3 1 361 133 96 ASP H H 7.786 0.020 1 362 133 96 ASP C C 178.600 0.3 1 363 133 96 ASP CA C 57.493 0.3 1 364 133 96 ASP CB C 40.779 0.3 1 365 133 96 ASP N N 116.396 0.3 1 366 134 97 ARG H H 7.555 0.020 1 367 134 97 ARG C C 179.692 0.3 1 368 134 97 ARG CA C 57.923 0.3 1 369 134 97 ARG CB C 27.867 0.3 1 370 134 97 ARG N N 118.777 0.3 1 371 135 98 ILE H H 8.539 0.020 1 372 135 98 ILE C C 177.478 0.3 1 373 135 98 ILE CA C 65.687 0.3 1 374 135 98 ILE CB C 37.264 0.3 1 375 135 98 ILE N N 122.053 0.3 1 376 136 99 ILE H H 8.709 0.020 1 377 136 99 ILE C C 178.871 0.3 1 378 136 99 ILE CA C 65.954 0.3 1 379 136 99 ILE CB C 37.107 0.3 1 380 136 99 ILE N N 120.340 0.3 1 381 137 100 LYS H H 8.317 0.020 1 382 137 100 LYS C C 179.586 0.3 1 383 137 100 LYS CA C 59.343 0.3 1 384 137 100 LYS CB C 31.095 0.3 1 385 137 100 LYS N N 120.029 0.3 1 386 138 101 THR H H 7.690 0.020 1 387 138 101 THR C C 179.586 0.3 1 388 138 101 THR CA C 67.033 0.3 1 389 138 101 THR CB C 67.536 0.3 1 390 138 101 THR N N 116.361 0.3 1 391 139 102 LEU H H 8.686 0.020 1 392 139 102 LEU C C 179.146 0.3 1 393 139 102 LEU CA C 57.580 0.3 1 394 139 102 LEU CB C 39.990 0.3 1 395 139 102 LEU N N 122.356 0.3 1 396 140 103 SER H H 8.115 0.020 1 397 140 103 SER C C 175.097 0.3 1 398 140 103 SER CA C 60.832 0.3 1 399 140 103 SER CB C 62.515 0.3 1 400 140 103 SER N N 111.703 0.3 1 401 141 104 LYS H H 7.074 0.020 1 402 141 104 LYS C C 176.311 0.3 1 403 141 104 LYS CA C 55.635 0.3 1 404 141 104 LYS CB C 32.745 0.3 1 405 141 104 LYS N N 116.611 0.3 1 406 142 105 THR H H 7.474 0.020 1 407 142 105 THR C C 174.006 0.3 1 408 142 105 THR CA C 60.498 0.3 1 409 142 105 THR CB C 67.536 0.3 1 410 142 105 THR N N 118.094 0.3 1 411 144 107 ASN H H 9.047 0.020 1 412 144 107 ASN C C 176.900 0.3 1 413 144 107 ASN CA C 52.352 0.3 1 414 144 107 ASN CB C 35.112 0.3 1 415 144 107 ASN N N 114.558 0.3 1 416 145 108 LEU H H 7.234 0.020 1 417 145 108 LEU C C 174.036 0.3 1 418 145 108 LEU CA C 53.902 0.3 1 419 145 108 LEU CB C 43.146 0.3 1 420 145 108 LEU N N 121.162 0.3 1 421 146 109 ARG H H 8.552 0.020 1 422 146 109 ARG C C 173.627 0.3 1 423 146 109 ARG CA C 54.054 0.3 1 424 146 109 ARG CB C 30.808 0.3 1 425 146 109 ARG N N 126.618 0.3 1 426 147 110 LEU H H 8.926 0.020 1 427 147 110 LEU C C 172.959 0.3 1 428 147 110 LEU CA C 53.203 0.3 1 429 147 110 LEU CB C 45.514 0.3 1 430 147 110 LEU N N 126.547 0.3 1 431 148 111 LEU H H 8.331 0.020 1 432 148 111 LEU C C 173.557 0.3 1 433 148 111 LEU CA C 53.199 0.3 1 434 148 111 LEU CB C 42.899 0.3 1 435 148 111 LEU N N 130.671 0.3 1 436 149 112 ILE H H 8.928 0.020 1 437 149 112 ILE C C 172.959 0.3 1 438 149 112 ILE CA C 60.650 0.3 1 439 149 112 ILE CB C 38.533 0.3 1 440 149 112 ILE N N 124.464 0.3 1 441 150 113 LEU H H 9.147 0.020 1 442 150 113 LEU C C 176.159 0.3 1 443 150 113 LEU CA C 52.983 0.3 1 444 150 113 LEU CB C 40.994 0.3 1 445 150 113 LEU N N 128.546 0.3 1 446 151 114 VAL H H 8.741 0.020 1 447 151 114 VAL C C 177.281 0.3 1 448 151 114 VAL CA C 58.340 0.3 1 449 151 114 VAL CB C 33.104 0.3 1 450 151 114 VAL N N 116.546 0.3 1 451 152 115 GLY H H 9.242 0.020 1 452 152 115 GLY C C 172.634 0.3 1 453 152 115 GLY CA C 48.158 0.3 1 454 152 115 GLY N N 115.065 0.3 1 455 153 116 ARG H H 6.860 0.020 1 456 153 116 ARG C C 174.627 0.3 1 457 153 116 ARG CA C 53.629 0.3 1 458 153 116 ARG CB C 32.530 0.3 1 459 153 116 ARG N N 112.024 0.3 1 460 155 118 PHE H H 8.378 0.020 1 461 155 118 PHE C C 173.728 0.3 1 462 155 118 PHE CA C 56.278 0.3 1 463 155 118 PHE CB C 40.344 0.3 1 464 155 118 PHE N N 125.682 0.3 1 465 156 119 MET H H 8.740 0.020 1 466 156 119 MET C C 175.522 0.3 1 467 156 119 MET CA C 56.152 0.3 1 468 156 119 MET CB C 29.087 0.3 1 469 156 119 MET N N 122.634 0.3 1 470 157 120 TRP H H 6.525 0.020 1 471 157 120 TRP C C 175.416 0.3 1 472 157 120 TRP CA C 58.371 0.3 1 473 157 120 TRP CB C 28.154 0.3 1 474 157 120 TRP N N 112.133 0.3 1 475 158 121 GLU H H 8.006 0.020 1 476 158 121 GLU C C 177.387 0.3 1 477 158 121 GLU CA C 56.923 0.3 1 478 158 121 GLU CB C 28.024 0.3 1 479 158 121 GLU N N 117.804 0.3 1 480 159 122 GLU H H 7.739 0.020 1 481 159 122 GLU C C 176.326 0.3 1 482 159 122 GLU CA C 53.112 0.3 1 483 159 122 GLU CB C 28.228 0.3 1 484 159 122 GLU N N 121.035 0.3 1 485 161 124 GLU H H 9.429 0.020 1 486 161 124 GLU C C 179.495 0.3 1 487 161 124 GLU CA C 59.100 0.3 1 488 161 124 GLU CB C 28.226 0.3 1 489 161 124 GLU N N 116.792 0.3 1 490 162 125 ILE H H 7.189 0.020 1 491 162 125 ILE C C 177.948 0.3 1 492 162 125 ILE CA C 61.015 0.3 1 493 162 125 ILE CB C 34.251 0.3 1 494 162 125 ILE N N 121.399 0.3 1 495 163 126 GLN H H 7.972 0.020 1 496 163 126 GLN C C 178.449 0.3 1 497 163 126 GLN CA C 59.890 0.3 1 498 163 126 GLN CB C 25.835 0.3 1 499 163 126 GLN N N 118.916 0.3 1 500 164 127 ALA H H 8.148 0.020 1 501 164 127 ALA C C 179.980 0.3 1 502 164 127 ALA CA C 54.480 0.3 1 503 164 127 ALA CB C 17.040 0.3 1 504 164 127 ALA N N 117.819 0.3 1 505 165 128 ALA H H 7.579 0.020 1 506 165 128 ALA C C 179.495 0.3 1 507 165 128 ALA CA C 54.734 0.3 1 508 165 128 ALA CB C 17.029 0.3 1 509 165 128 ALA N N 121.092 0.3 1 510 166 129 LEU H H 8.483 0.020 1 511 166 129 LEU C C 178.964 0.3 1 512 166 129 LEU CA C 57.793 0.3 1 513 166 129 LEU CB C 39.990 0.3 1 514 166 129 LEU N N 116.624 0.3 1 515 167 130 LYS H H 7.724 0.020 1 516 167 130 LYS C C 179.404 0.3 1 517 167 130 LYS CA C 59.799 0.3 1 518 167 130 LYS CB C 31.270 0.3 1 519 167 130 LYS N N 118.029 0.3 1 520 168 131 LYS H H 8.232 0.020 1 521 168 131 LYS C C 179.965 0.3 1 522 168 131 LYS CA C 59.100 0.3 1 523 168 131 LYS CB C 31.159 0.3 1 524 168 131 LYS N N 119.524 0.3 1 525 169 132 LEU H H 8.405 0.020 1 526 169 132 LEU C C 178.221 0.3 1 527 169 132 LEU CA C 58.023 0.3 1 528 169 132 LEU CB C 40.579 0.3 1 529 169 132 LEU N N 122.232 0.3 1 530 170 133 LYS H H 7.586 0.020 1 531 170 133 LYS C C 181.421 0.3 1 532 170 133 LYS CA C 58.600 0.3 1 533 170 133 LYS CB C 30.952 0.3 1 534 170 133 LYS N N 120.343 0.3 1 535 171 134 GLU H H 8.412 0.020 1 536 171 134 GLU C C 177.630 0.3 1 537 171 134 GLU CA C 58.575 0.3 1 538 171 134 GLU CB C 28.369 0.3 1 539 171 134 GLU N N 121.392 0.3 1 540 172 135 ALA H H 7.765 0.020 1 541 172 135 ALA C C 177.099 0.3 1 542 172 135 ALA CA C 51.866 0.3 1 543 172 135 ALA CB C 18.255 0.3 1 544 172 135 ALA N N 119.220 0.3 1 545 173 136 GLY H H 7.834 0.020 1 546 173 136 GLY C C 174.885 0.3 1 547 173 136 GLY CA C 44.298 0.3 1 548 173 136 GLY N N 104.305 0.3 1 549 174 137 CYS H H 7.898 0.020 1 550 174 137 CYS C C 175.477 0.3 1 551 174 137 CYS CA C 58.827 0.3 1 552 174 137 CYS CB C 27.222 0.3 1 553 174 137 CYS N N 122.325 0.3 1 554 175 138 LYS H H 8.184 0.020 1 555 175 138 LYS C C 174.161 0.3 1 556 175 138 LYS CA C 55.331 0.3 1 557 175 138 LYS CB C 32.315 0.3 1 558 175 138 LYS N N 129.407 0.3 1 559 176 139 LEU H H 8.069 0.020 1 560 176 139 LEU C C 175.704 0.3 1 561 176 139 LEU CA C 53.538 0.3 1 562 176 139 LEU CB C 44.509 0.3 1 563 176 139 LEU N N 125.801 0.3 1 564 177 140 ARG H H 8.756 0.020 1 565 177 140 ARG C C 174.110 0.3 1 566 177 140 ARG CA C 54.054 0.3 1 567 177 140 ARG CB C 33.534 0.3 1 568 177 140 ARG N N 120.734 0.3 1 569 178 141 ILE H H 8.749 0.020 1 570 178 141 ILE C C 177.099 0.3 1 571 178 141 ILE CA C 57.520 0.3 1 572 178 141 ILE CB C 34.538 0.3 1 573 178 141 ILE N N 120.832 0.3 1 574 179 142 MET H H 8.788 0.020 1 575 179 142 MET C C 174.415 0.3 1 576 179 142 MET CA C 57.375 0.3 1 577 179 142 MET CB C 34.294 0.3 1 578 179 142 MET N N 124.997 0.3 1 579 180 143 LYS H H 9.462 0.020 1 580 180 143 LYS C C 177.236 0.3 1 581 180 143 LYS CA C 53.517 0.3 1 582 180 143 LYS CB C 30.593 0.3 1 583 180 143 LYS N N 123.427 0.3 1 584 182 145 GLN H H 8.743 0.020 1 585 182 145 GLN C C 178.615 0.3 1 586 182 145 GLN CA C 58.570 0.3 1 587 182 145 GLN CB C 27.126 0.3 1 588 182 145 GLN N N 113.485 0.3 1 589 183 146 ASP H H 8.038 0.020 1 590 183 146 ASP C C 178.160 0.3 1 591 183 146 ASP CA C 57.064 0.3 1 592 183 146 ASP CB C 40.348 0.3 1 593 183 146 ASP N N 120.334 0.3 1 594 184 147 PHE H H 7.580 0.020 1 595 184 147 PHE C C 177.326 0.3 1 596 184 147 PHE CA C 62.873 0.3 1 597 184 147 PHE CB C 38.525 0.3 1 598 184 147 PHE N N 117.825 0.3 1 599 185 148 GLU H H 7.477 0.020 1 600 185 148 GLU C C 177.099 0.3 1 601 185 148 GLU CA C 59.100 0.3 1 602 185 148 GLU CB C 28.082 0.3 1 603 185 148 GLU N N 118.972 0.3 1 604 186 149 TYR H H 7.692 0.020 1 605 186 149 TYR C C 179.070 0.3 1 606 186 149 TYR CA C 61.805 0.3 1 607 186 149 TYR CB C 37.408 0.3 1 608 186 149 TYR N N 120.184 0.3 1 609 187 150 VAL H H 7.931 0.020 1 610 187 150 VAL C C 177.630 0.3 1 611 187 150 VAL CA C 65.909 0.3 1 612 187 150 VAL CB C 30.019 0.3 1 613 187 150 VAL N N 120.646 0.3 1 614 188 151 TRP H H 8.183 0.020 1 615 188 151 TRP C C 176.978 0.3 1 616 188 151 TRP CA C 59.675 0.3 1 617 188 151 TRP CB C 28.152 0.3 1 618 188 151 TRP N N 121.081 0.3 1 619 189 152 GLN H H 8.231 0.020 1 620 189 152 GLN C C 178.070 0.3 1 621 189 152 GLN CA C 57.813 0.3 1 622 189 152 GLN CB C 28.170 0.3 1 623 189 152 GLN N N 112.851 0.3 1 624 190 153 ASN H H 7.508 0.020 1 625 190 153 ASN C C 174.718 0.3 1 626 190 153 ASN CA C 54.602 0.3 1 627 190 153 ASN CB C 39.816 0.3 1 628 190 153 ASN N N 112.079 0.3 1 629 191 154 PHE H H 8.501 0.020 1 630 191 154 PHE C C 182.422 0.3 1 631 191 154 PHE CA C 57.801 0.3 1 632 191 154 PHE CB C 40.205 0.3 1 633 191 154 PHE N N 113.174 0.3 1 634 192 155 VAL H H 6.530 0.020 1 635 192 155 VAL C C 175.568 0.3 1 636 192 155 VAL CA C 61.045 0.3 1 637 192 155 VAL CB C 30.593 0.3 1 638 192 155 VAL N N 118.562 0.3 1 639 193 156 GLU H H 8.403 0.020 1 640 193 156 GLU C C 174.870 0.3 1 641 193 156 GLU CA C 55.088 0.3 1 642 193 156 GLU CB C 29.589 0.3 1 643 193 156 GLU N N 129.270 0.3 1 644 194 157 GLN H H 8.302 0.020 1 645 194 157 GLN C C 175.795 0.3 1 646 194 157 GLN CA C 55.054 0.3 1 647 194 157 GLN CB C 28.369 0.3 1 648 194 157 GLN N N 125.890 0.3 1 649 195 158 GLU H H 8.731 0.020 1 650 195 158 GLU C C 176.629 0.3 1 651 195 158 GLU CA C 56.071 0.3 1 652 195 158 GLU CB C 29.470 0.3 1 653 195 158 GLU N N 122.323 0.3 1 654 196 159 GLU H H 8.568 0.020 1 655 196 159 GLU C C 177.190 0.3 1 656 196 159 GLU CA C 57.246 0.3 1 657 196 159 GLU CB C 28.441 0.3 1 658 196 159 GLU N N 121.331 0.3 1 659 197 160 GLY H H 8.467 0.020 1 660 197 160 GLY C C 174.263 0.3 1 661 197 160 GLY CA C 44.997 0.3 1 662 197 160 GLY N N 110.264 0.3 1 663 198 161 GLU H H 7.861 0.020 1 664 198 161 GLU C C 176.135 0.3 1 665 198 161 GLU CA C 55.497 0.3 1 666 198 161 GLU CB C 29.980 0.3 1 667 198 161 GLU N N 119.982 0.3 1 668 199 162 SER H H 8.477 0.020 1 669 199 162 SER C C 174.885 0.3 1 670 199 162 SER CA C 57.823 0.3 1 671 199 162 SER CB C 62.586 0.3 1 672 199 162 SER N N 116.709 0.3 1 673 200 163 LYS H H 8.728 0.020 1 674 200 163 LYS C C 177.069 0.3 1 675 200 163 LYS CA C 55.787 0.3 1 676 200 163 LYS CB C 32.602 0.3 1 677 200 163 LYS N N 124.227 0.3 1 678 201 164 ALA H H 8.193 0.020 1 679 201 164 ALA C C 176.902 0.3 1 680 201 164 ALA CA C 51.380 0.3 1 681 201 164 ALA CB C 18.327 0.3 1 682 201 164 ALA N N 124.275 0.3 1 683 202 165 PHE H H 8.587 0.020 1 684 202 165 PHE C C 174.157 0.3 1 685 202 165 PHE CA C 56.516 0.3 1 686 202 165 PHE CB C 38.340 0.3 1 687 202 165 PHE N N 121.575 0.3 1 688 203 166 GLN H H 7.067 0.020 1 689 203 166 GLN C C 171.807 0.3 1 690 203 166 GLN CA C 50.650 0.3 1 691 203 166 GLN CB C 28.082 0.3 1 692 203 166 GLN N N 128.156 0.3 1 693 207 170 ASP H H 8.772 0.020 1 694 207 170 ASP C C 176.508 0.3 1 695 207 170 ASP CA C 53.447 0.3 1 696 207 170 ASP CB C 38.053 0.3 1 697 207 170 ASP N N 115.521 0.3 1 698 208 171 ILE H H 7.315 0.020 1 699 208 171 ILE C C 176.614 0.3 1 700 208 171 ILE CA C 65.058 0.3 1 701 208 171 ILE CB C 36.834 0.3 1 702 208 171 ILE N N 119.765 0.3 1 703 209 172 GLN H H 8.361 0.020 1 704 209 172 GLN C C 177.342 0.3 1 705 209 172 GLN CA C 58.219 0.3 1 706 209 172 GLN CB C 27.078 0.3 1 707 209 172 GLN N N 123.033 0.3 1 708 210 173 GLU H H 8.858 0.020 1 709 210 173 GLU C C 179.662 0.3 1 710 210 173 GLU CA C 60.225 0.3 1 711 210 173 GLU CB C 27.629 0.3 1 712 210 173 GLU N N 121.143 0.3 1 713 211 174 ASN H H 8.637 0.020 1 714 211 174 ASN C C 177.038 0.3 1 715 211 174 ASN CA C 55.483 0.3 1 716 211 174 ASN CB C 37.479 0.3 1 717 211 174 ASN N N 118.195 0.3 1 718 212 175 PHE H H 7.529 0.020 1 719 212 175 PHE C C 176.341 0.3 1 720 212 175 PHE CA C 60.255 0.3 1 721 212 175 PHE CB C 36.962 0.3 1 722 212 175 PHE N N 122.123 0.3 1 723 213 176 LEU H H 8.068 0.020 1 724 213 176 LEU C C 179.995 0.3 1 725 213 176 LEU CA C 57.155 0.3 1 726 213 176 LEU CB C 40.587 0.3 1 727 213 176 LEU N N 119.950 0.3 1 728 214 177 TYR H H 7.832 0.020 1 729 214 177 TYR C C 177.645 0.3 1 730 214 177 TYR CA C 60.559 0.3 1 731 214 177 TYR CB C 37.230 0.3 1 732 214 177 TYR N N 119.902 0.3 1 733 215 178 TYR H H 8.061 0.020 1 734 215 178 TYR C C 177.569 0.3 1 735 215 178 TYR CA C 61.775 0.3 1 736 215 178 TYR CB C 36.983 0.3 1 737 215 178 TYR N N 116.586 0.3 1 738 216 179 GLU H H 9.178 0.020 1 739 216 179 GLU C C 179.207 0.3 1 740 216 179 GLU CA C 59.526 0.3 1 741 216 179 GLU CB C 28.082 0.3 1 742 216 179 GLU N N 122.644 0.3 1 743 217 180 GLU H H 7.548 0.020 1 744 217 180 GLU C C 178.722 0.3 1 745 217 180 GLU CA C 58.675 0.3 1 746 217 180 GLU CB C 28.177 0.3 1 747 217 180 GLU N N 119.220 0.3 1 748 218 181 LYS H H 7.211 0.020 1 749 218 181 LYS C C 179.237 0.3 1 750 218 181 LYS CA C 56.712 0.3 1 751 218 181 LYS CB C 29.216 0.3 1 752 218 181 LYS N N 116.162 0.3 1 753 219 182 LEU H H 8.523 0.020 1 754 219 182 LEU C C 177.842 0.3 1 755 219 182 LEU CA C 57.185 0.3 1 756 219 182 LEU CB C 39.847 0.3 1 757 219 182 LEU N N 118.657 0.3 1 758 220 183 ALA H H 7.839 0.020 1 759 220 183 ALA C C 180.405 0.3 1 760 220 183 ALA CA C 54.402 0.3 1 761 220 183 ALA CB C 16.752 0.3 1 762 220 183 ALA N N 119.389 0.3 1 763 221 184 ASP H H 7.503 0.020 1 764 221 184 ASP C C 178.342 0.3 1 765 221 184 ASP CA C 56.577 0.3 1 766 221 184 ASP CB C 40.492 0.3 1 767 221 184 ASP N N 116.282 0.3 1 768 222 185 ILE H H 7.739 0.020 1 769 222 185 ILE C C 177.281 0.3 1 770 222 185 ILE CA C 64.115 0.3 1 771 222 185 ILE CB C 38.053 0.3 1 772 222 185 ILE N N 119.038 0.3 1 773 223 186 LEU H H 7.905 0.020 1 774 223 186 LEU C C 176.659 0.3 1 775 223 186 LEU CA C 54.541 0.3 1 776 223 186 LEU CB C 40.205 0.3 1 777 223 186 LEU N N 115.923 0.3 1 778 224 187 LYS H H 7.161 0.020 1 779 224 187 LYS C C 181.436 0.3 1 780 224 187 LYS CA C 58.796 0.3 1 781 224 187 LYS CB C 31.526 0.3 1 782 224 187 LYS N N 124.759 0.3 1 stop_ save_ save_RDC_list_Pf1 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $sample_1 stop_ loop_ _Residual_dipolar_coupling_ID _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value _Residual_dipolar_coupling_value_error DNH 4 ILE N 4 ILE H 8.84 ? ? . . . DNH 5 VAL N 5 VAL H 4.65 ? ? . . . DNH 6 THR N 6 THR H 2.98 ? ? . . . DNH 7 GLY N 7 GLY H 0.91 ? ? . . . DNH 8 GLU N 8 GLU H 2.14 ? ? . . . DNH 9 ARG N 9 ARG H -4.21 ? ? . . . DNH 10 LEU N 10 LEU H -10.7 ? ? . . . DNH 12 ALA N 12 ALA H -0.34 ? ? . . . DNH 14 PHE N 14 PHE H 9.43 ? ? . . . DNH 15 PHE N 15 PHE H -1.96 ? ? . . . DNH 16 LYS N 16 LYS H 12.1 ? ? . . . DNH 17 PHE N 17 PHE H 11.18 ? ? . . . DNH 19 PHE N 19 PHE H 0.04 ? ? . . . DNH 22 VAL N 22 VAL H 4.71 ? ? . . . DNH 23 GLU N 23 GLU H 8.84 ? ? . . . DNH 25 SER N 25 SER H 4.57 ? ? . . . DNH 26 SER N 26 SER H 3.79 ? ? . . . DNH 30 LYS N 30 LYS H 8.85 ? ? . . . DNH 32 PHE N 32 PHE H 0.76 ? ? . . . DNH 33 LEU N 33 LEU H 0.75 ? ? . . . DNH 34 CYS N 34 CYS H 7.33 ? ? . . . DNH 35 TYR N 35 TYR H 2.79 ? ? . . . DNH 36 VAL N 36 VAL H 10.99 ? ? . . . DNH 37 VAL N 37 VAL H 5.86 ? ? . . . DNH 38 GLU N 38 GLU H 10.96 ? ? . . . DNH 39 ALA N 39 ALA H 6.94 ? ? . . . DNH 40 GLN N 40 GLN H 11.91 ? ? . . . DNH 41 GLY N 41 GLY H 8.27 ? ? . . . DNH 44 GLY N 44 GLY H 6.7 ? ? . . . DNH 45 GLN N 45 GLN H 2.69 ? ? . . . DNH 46 VAL N 46 VAL H 7.87 ? ? . . . DNH 47 GLN N 47 GLN H 8.16 ? ? . . . DNH 48 ALA N 48 ALA H 10.62 ? ? . . . DNH 49 SER N 49 SER H 6.51 ? ? . . . DNH 50 ARG N 50 ARG H 8.24 ? ? . . . DNH 51 GLY N 51 GLY H 7.04 ? ? . . . DNH 52 TYR N 52 TYR H 5.83 ? ? . . . DNH 53 LEU N 53 LEU H 3.93 ? ? . . . DNH 54 GLU N 54 GLU H 8.86 ? ? . . . DNH 55 ASP N 55 ASP H 4.55 ? ? . . . DNH 56 GLU N 56 GLU H 8.84 ? ? . . . DNH 59 ALA N 59 ALA H 8.84 ? ? . . . DNH 60 ALA N 60 ALA H 0.77 ? ? . . . DNH 61 HIS N 61 HIS H 3.69 ? ? . . . DNH 63 GLU N 63 GLU H 2.38 ? ? . . . DNH 64 GLU N 64 GLU H -11.76 ? ? . . . DNH 65 ALA N 65 ALA H -2.43 ? ? . . . DNH 66 PHE N 66 PHE H 9.29 ? ? . . . DNH 67 PHE N 67 PHE H -3.16 ? ? . . . DNH 68 ASN N 68 ASN H -0.98 ? ? . . . DNH 69 THR N 69 THR H 6.45 ? ? . . . DNH 70 ILE N 70 ILE H 10.77 ? ? . . . DNH 71 LEU N 71 LEU H 5.03 ? ? . . . DNH 73 ALA N 73 ALA H 8.44 ? ? . . . DNH 74 PHE N 74 PHE H 8.33 ? ? . . . DNH 75 ASP N 75 ASP H 4.67 ? ? . . . DNH 77 ALA N 77 ALA H -4.31 ? ? . . . DNH 78 LEU N 78 LEU H 0.05 ? ? . . . DNH 79 ARG N 79 ARG H 11.64 ? ? . . . DNH 80 TYR N 80 TYR H 8.84 ? ? . . . DNH 81 ASN N 81 ASN H 11.71 ? ? . . . DNH 82 VAL N 82 VAL H 7.24 ? ? . . . DNH 83 THR N 83 THR H 13.95 ? ? . . . DNH 84 TRP N 84 TRP H 6.96 ? ? . . . DNH 85 TYR N 85 TYR H 7.72 ? ? . . . DNH 86 VAL N 86 VAL H -2.83 ? ? . . . DNH 87 SER N 87 SER H 7.59 ? ? . . . DNH 91 CYS N 91 CYS H 10.09 ? ? . . . DNH 92 ALA N 92 ALA H 11.17 ? ? . . . DNH 93 ALA N 93 ALA H -14.37 ? ? . . . DNH 94 CYS N 94 CYS H -6.08 ? ? . . . DNH 95 ALA N 95 ALA H -5.46 ? ? . . . DNH 96 ASP N 96 ASP H -13.49 ? ? . . . DNH 97 ARG N 97 ARG H -14.81 ? ? . . . DNH 98 ILE N 98 ILE H -8.93 ? ? . . . DNH 99 ILE N 99 ILE H 8.84 ? ? . . . DNH 100 LYS N 100 LYS H -14.48 ? ? . . . DNH 101 THR N 101 THR H -10.22 ? ? . . . DNH 102 LEU N 102 LEU H -7.37 ? ? . . . DNH 103 SER N 103 SER H -14.37 ? ? . . . DNH 104 LYS N 104 LYS H -14.91 ? ? . . . DNH 105 THR N 105 THR H 1.78 ? ? . . . DNH 107 ASN N 107 ASN H 0.88 ? ? . . . DNH 108 LEU N 108 LEU H 8.75 ? ? . . . DNH 109 ARG N 109 ARG H 12.36 ? ? . . . DNH 110 LEU N 110 LEU H 5.13 ? ? . . . DNH 111 LEU N 111 LEU H 10.81 ? ? . . . DNH 112 ILE N 112 ILE H 0.11 ? ? . . . DNH 113 LEU N 113 LEU H 8.89 ? ? . . . DNH 114 VAL N 114 VAL H 15.15 ? ? . . . DNH 115 GLY N 115 GLY H 4.62 ? ? . . . DNH 116 ARG N 116 ARG H 4.67 ? ? . . . DNH 118 PHE N 118 PHE H -6.9 ? ? . . . DNH 119 MET N 119 MET H 8.84 ? ? . . . DNH 120 TRP N 120 TRP H 4.07 ? ? . . . DNH 121 GLU N 121 GLU H -9.06 ? ? . . . DNH 122 GLU N 122 GLU H 13.52 ? ? . . . DNH 124 GLU N 124 GLU H -14.33 ? ? . . . DNH 125 ILE N 125 ILE H -0.25 ? ? . . . DNH 126 GLN N 126 GLN H -3.23 ? ? . . . DNH 127 ALA N 127 ALA H -9.19 ? ? . . . DNH 128 ALA N 128 ALA H -14.08 ? ? . . . DNH 129 LEU N 129 LEU H -4.4 ? ? . . . DNH 130 LYS N 130 LYS H -5.01 ? ? . . . DNH 131 LYS N 131 LYS H -13 ? ? . . . DNH 132 LEU N 132 LEU H -9.69 ? ? . . . DNH 133 LYS N 133 LYS H -1.87 ? ? . . . DNH 134 GLU N 134 GLU H -8.44 ? ? . . . DNH 135 ALA N 135 ALA H 1.94 ? ? . . . DNH 136 GLY N 136 GLY H 8.84 ? ? . . . DNH 137 CYS N 137 CYS H 10.29 ? ? . . . DNH 138 LYS N 138 LYS H 9.99 ? ? . . . DNH 139 LEU N 139 LEU H 8.86 ? ? . . . DNH 140 ARG N 140 ARG H 8.84 ? ? . . . DNH 141 ILE N 141 ILE H -1.92 ? ? . . . DNH 142 MET N 142 MET H -6.7 ? ? . . . DNH 143 LYS N 143 LYS H -2.08 ? ? . . . DNH 145 GLN N 145 GLN H 0.78 ? ? . . . DNH 146 ASP N 146 ASP H 8.84 ? ? . . . DNH 147 PHE N 147 PHE H 8.94 ? ? . . . DNH 148 GLU N 148 GLU H 4.44 ? ? . . . DNH 149 TYR N 149 TYR H 7.66 ? ? . . . DNH 150 VAL N 150 VAL H 10.58 ? ? . . . DNH 151 TRP N 151 TRP H 7.2 ? ? . . . DNH 152 GLN N 152 GLN H 4.29 ? ? . . . DNH 153 ASN N 153 ASN H 10.33 ? ? . . . DNH 154 PHE N 154 PHE H 8.53 ? ? . . . DNH 155 VAL N 155 VAL H -2.44 ? ? . . . DNH 156 GLU N 156 GLU H 3.68 ? ? . . . DNH 157 GLN N 157 GLN H 8.85 ? ? . . . DNH 158 GLU N 158 GLU H 6.51 ? ? . . . DNH 159 GLU N 159 GLU H -1.65 ? ? . . . DNH 164 ALA N 164 ALA H 0.15 ? ? . . . DNH 165 PHE N 165 PHE H 9.48 ? ? . . . DNH 166 GLN N 166 GLN H 2.41 ? ? . . . DNH 170 ASP N 170 ASP H -1.69 ? ? . . . DNH 171 ILE N 171 ILE H 4.16 ? ? . . . DNH 172 GLN N 172 GLN H 0.74 ? ? . . . DNH 173 GLU N 173 GLU H 10.62 ? ? . . . DNH 175 PHE N 175 PHE H 8.78 ? ? . . . DNH 176 LEU N 176 LEU H 3.17 ? ? . . . DNH 177 TYR N 177 TYR H 8.84 ? ? . . . DNH 178 TYR N 178 TYR H 7.84 ? ? . . . DNH 179 GLU N 179 GLU H 3.29 ? ? . . . DNH 180 GLU N 180 GLU H -5.33 ? ? . . . DNH 181 LYS N 181 LYS H 0.01 ? ? . . . DNH 182 LEU N 182 LEU H 5.93 ? ? . . . DNH 183 ALA N 183 ALA H -9.69 ? ? . . . DNH 184 ASP N 184 ASP H -7.54 ? ? . . . DNH 185 ILE N 185 ILE H 8.83 ? ? . . . DNH 186 LEU N 186 LEU H 4.38 ? ? . . . DNH 187 LYS N 187 LYS H -11.69 ? ? . . . stop_ _Details . _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Text_data_format . _Text_data . save_ save_RDC_list_C12E5 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $sample_1 stop_ loop_ _Residual_dipolar_coupling_ID _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value _Residual_dipolar_coupling_value_error DNH 4 ILE N 4 ILE H 17.83 ? ? . . . DNH 5 VAL N 5 VAL H 7.31 ? ? . . . DNH 6 THR N 6 THR H 6.07 ? ? . . . DNH 7 GLY N 7 GLY H 0.2 ? ? . . . DNH 8 GLU N 8 GLU H 26.02 ? ? . . . DNH 9 ARG N 9 ARG H -18.52 ? ? . . . DNH 10 LEU N 10 LEU H 4.88 ? ? . . . DNH 12 ALA N 12 ALA H 1.81 ? ? . . . DNH 14 PHE N 14 PHE H 16.37 ? ? . . . DNH 15 PHE N 15 PHE H 16.44 ? ? . . . DNH 16 LYS N 16 LYS H 22.68 ? ? . . . DNH 17 PHE N 17 PHE H 23.64 ? ? . . . DNH 19 PHE N 19 PHE H 17.89 ? ? . . . DNH 22 VAL N 22 VAL H 2.17 ? ? . . . DNH 23 GLU N 23 GLU H 17.83 ? ? . . . DNH 25 SER N 25 SER H 12.64 ? ? . . . DNH 26 SER N 26 SER H 14.57 ? ? . . . DNH 30 LYS N 30 LYS H 22.93 ? ? . . . DNH 32 PHE N 32 PHE H 4.44 ? ? . . . DNH 33 LEU N 33 LEU H -4.72 ? ? . . . DNH 34 CYS N 34 CYS H 18.83 ? ? . . . DNH 35 TYR N 35 TYR H 9.81 ? ? . . . DNH 36 VAL N 36 VAL H 18.39 ? ? . . . DNH 37 VAL N 37 VAL H 17.44 ? ? . . . DNH 38 GLU N 38 GLU H 19.69 ? ? . . . DNH 39 ALA N 39 ALA H 17.92 ? ? . . . DNH 40 GLN N 40 GLN H 13.02 ? ? . . . DNH 41 GLY N 41 GLY H 9.86 ? ? . . . DNH 44 GLY N 44 GLY H -0.46 ? ? . . . DNH 45 GLN N 45 GLN H 5.33 ? ? . . . DNH 46 VAL N 46 VAL H 1.1 ? ? . . . DNH 47 GLN N 47 GLN H 15.94 ? ? . . . DNH 48 ALA N 48 ALA H 14.21 ? ? . . . DNH 49 SER N 49 SER H 16.81 ? ? . . . DNH 50 ARG N 50 ARG H 17.15 ? ? . . . DNH 51 GLY N 51 GLY H 14.82 ? ? . . . DNH 52 TYR N 52 TYR H -2.88 ? ? . . . DNH 53 LEU N 53 LEU H 1.52 ? ? . . . DNH 54 GLU N 54 GLU H 1.72 ? ? . . . DNH 55 ASP N 55 ASP H 17.63 ? ? . . . DNH 56 GLU N 56 GLU H 17.82 ? ? . . . DNH 59 ALA N 59 ALA H 17.83 ? ? . . . DNH 60 ALA N 60 ALA H 10.88 ? ? . . . DNH 61 HIS N 61 HIS H 22.83 ? ? . . . DNH 63 GLU N 63 GLU H 17.27 ? ? . . . DNH 64 GLU N 64 GLU H 0.55 ? ? . . . DNH 65 ALA N 65 ALA H 9.71 ? ? . . . DNH 66 PHE N 66 PHE H 22.54 ? ? . . . DNH 67 PHE N 67 PHE H 7.7 ? ? . . . DNH 68 ASN N 68 ASN H 11.2 ? ? . . . DNH 69 THR N 69 THR H 6.83 ? ? . . . DNH 70 ILE N 70 ILE H 16.24 ? ? . . . DNH 71 LEU N 71 LEU H 7.46 ? ? . . . DNH 73 ALA N 73 ALA H 5.28 ? ? . . . DNH 74 PHE N 74 PHE H 5.17 ? ? . . . DNH 75 ASP N 75 ASP H 5 ? ? . . . DNH 77 ALA N 77 ALA H -7 ? ? . . . DNH 78 LEU N 78 LEU H -25.08 ? ? . . . DNH 79 ARG N 79 ARG H 6.18 ? ? . . . DNH 80 TYR N 80 TYR H 39.21 ? ? . . . DNH 81 ASN N 81 ASN H 22.59 ? ? . . . DNH 82 VAL N 82 VAL H 18.71 ? ? . . . DNH 83 THR N 83 THR H 17.82 ? ? . . . DNH 84 TRP N 84 TRP H 17.83 ? ? . . . DNH 85 TYR N 85 TYR H 9.28 ? ? . . . DNH 86 VAL N 86 VAL H 17.82 ? ? . . . DNH 87 SER N 87 SER H 1.71 ? ? . . . DNH 91 CYS N 91 CYS H 19.41 ? ? . . . DNH 92 ALA N 92 ALA H 20.51 ? ? . . . DNH 93 ALA N 93 ALA H 0.06 ? ? . . . DNH 94 CYS N 94 CYS H 8.71 ? ? . . . DNH 95 ALA N 95 ALA H 3.16 ? ? . . . DNH 96 ASP N 96 ASP H -7.57 ? ? . . . DNH 97 ARG N 97 ARG H 0.81 ? ? . . . DNH 98 ILE N 98 ILE H 4.54 ? ? . . . DNH 99 ILE N 99 ILE H -3.74 ? ? . . . DNH 100 LYS N 100 LYS H -9.83 ? ? . . . DNH 101 THR N 101 THR H 5.38 ? ? . . . DNH 102 LEU N 102 LEU H 4.01 ? ? . . . DNH 103 SER N 103 SER H -11.83 ? ? . . . DNH 104 LYS N 104 LYS H -1.36 ? ? . . . DNH 105 THR N 105 THR H 11.54 ? ? . . . DNH 107 ASN N 107 ASN H -22.41 ? ? . . . DNH 108 LEU N 108 LEU H 13.78 ? ? . . . DNH 109 ARG N 109 ARG H 16.88 ? ? . . . DNH 110 LEU N 110 LEU H 17.56 ? ? . . . DNH 111 LEU N 111 LEU H 18.97 ? ? . . . DNH 112 ILE N 112 ILE H 11.31 ? ? . . . DNH 113 LEU N 113 LEU H 14.26 ? ? . . . DNH 114 VAL N 114 VAL H -10.64 ? ? . . . DNH 115 GLY N 115 GLY H 18.17 ? ? . . . DNH 116 ARG N 116 ARG H 18.18 ? ? . . . DNH 118 PHE N 118 PHE H 17.84 ? ? . . . DNH 119 MET N 119 MET H 17.83 ? ? . . . DNH 120 TRP N 120 TRP H 13.6 ? ? . . . DNH 121 GLU N 121 GLU H 3.96 ? ? . . . DNH 122 GLU N 122 GLU H 20.08 ? ? . . . DNH 124 GLU N 124 GLU H -15.41 ? ? . . . DNH 125 ILE N 125 ILE H 6.06 ? ? . . . DNH 126 GLN N 126 GLN H -2.88 ? ? . . . DNH 127 ALA N 127 ALA H -19.05 ? ? . . . DNH 128 ALA N 128 ALA H -7.79 ? ? . . . DNH 129 LEU N 129 LEU H 4.13 ? ? . . . DNH 130 LYS N 130 LYS H -7.63 ? ? . . . DNH 131 LYS N 131 LYS H -13.55 ? ? . . . DNH 132 LEU N 132 LEU H 2.66 ? ? . . . DNH 133 LYS N 133 LYS H 3.61 ? ? . . . DNH 134 GLU N 134 GLU H -10.43 ? ? . . . DNH 135 ALA N 135 ALA H -4.46 ? ? . . . DNH 136 GLY N 136 GLY H 17.83 ? ? . . . DNH 137 CYS N 137 CYS H 4.98 ? ? . . . DNH 138 LYS N 138 LYS H 15.77 ? ? . . . DNH 139 LEU N 139 LEU H -5.32 ? ? . . . DNH 140 ARG N 140 ARG H 3.87 ? ? . . . DNH 141 ILE N 141 ILE H 17.91 ? ? . . . DNH 142 MET N 142 MET H 13.33 ? ? . . . DNH 143 LYS N 143 LYS H 4.81 ? ? . . . DNH 145 GLN N 145 GLN H 7.26 ? ? . . . DNH 146 ASP N 146 ASP H 17.82 ? ? . . . DNH 147 PHE N 147 PHE H 6.88 ? ? . . . DNH 148 GLU N 148 GLU H -8.4 ? ? . . . DNH 149 TYR N 149 TYR H 18.07 ? ? . . . DNH 150 VAL N 150 VAL H 17.62 ? ? . . . DNH 151 TRP N 151 TRP H 10.23 ? ? . . . DNH 152 GLN N 152 GLN H 9.1 ? ? . . . DNH 153 ASN N 153 ASN H 17.72 ? ? . . . DNH 154 PHE N 154 PHE H 12.67 ? ? . . . DNH 155 VAL N 155 VAL H 19.55 ? ? . . . DNH 156 GLU N 156 GLU H -13.8 ? ? . . . DNH 157 GLN N 157 GLN H -2.59 ? ? . . . DNH 158 GLU N 158 GLU H 6.74 ? ? . . . DNH 159 GLU N 159 GLU H -19.03 ? ? . . . DNH 164 ALA N 164 ALA H 3.29 ? ? . . . DNH 165 PHE N 165 PHE H -11.44 ? ? . . . DNH 166 GLN N 166 GLN H 17.78 ? ? . . . DNH 170 ASP N 170 ASP H -16.01 ? ? . . . DNH 171 ILE N 171 ILE H 28.74 ? ? . . . DNH 172 GLN N 172 GLN H 9.9 ? ? . . . DNH 173 GLU N 173 GLU H 9.99 ? ? . . . DNH 175 PHE N 175 PHE H 16.85 ? ? . . . DNH 176 LEU N 176 LEU H 12.44 ? ? . . . DNH 177 TYR N 177 TYR H 17.82 ? ? . . . DNH 178 TYR N 178 TYR H 19 ? ? . . . DNH 179 GLU N 179 GLU H 8.1 ? ? . . . DNH 180 GLU N 180 GLU H 8.61 ? ? . . . DNH 181 LYS N 181 LYS H 16.05 ? ? . . . DNH 182 LEU N 182 LEU H 11.41 ? ? . . . DNH 183 ALA N 183 ALA H 17.82 ? ? . . . DNH 184 ASP N 184 ASP H 2.04 ? ? . . . DNH 185 ILE N 185 ILE H 17.83 ? ? . . . DNH 186 LEU N 186 LEU H 8.63 ? ? . . . DNH 187 LYS N 187 LYS H -2.31 ? ? . . . stop_ _Details . _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 700 _Text_data_format . _Text_data . save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 700 _T1_coherence_type Sz _T1_value_units s _Mol_system_component_name 'A2POBEC2 41-224' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 5 VAL H 1.069 0.0503 2 6 THR H 1.025 0.0657 3 12 ALA H 1.184 0.0276 4 15 PHE H 1.353 0.0485 5 22 VAL H 1.602 0.352 6 25 SER H 0.946 0.0215 7 32 PHE H 0.9946 0.0604 8 35 TYR H 1.318 0.154 9 36 VAL H 1.531 0.177 10 37 VAL H 1.59 0.185 11 38 GLU H 1.672 0.0571 12 39 ALA H 1.492 0.105 13 40 GLN H 1.439 0.0574 14 41 GLY H 1.345 0.135 15 44 GLY H 1.139 0.0274 16 45 GLN H 1.235 0.109 17 46 VAL H 1.185 0.0376 18 47 GLN H 1.325 0.0182 19 48 ALA H 1.47 0.048 20 49 SER H 1.405 0.144 21 50 ARG H 1.43 0.0743 22 51 GLY H 1.044 0.075 23 52 TYR H 2.072 0.229 24 60 ALA H 1.382 0.125 25 64 GLU H 1.45 0.2 26 65 ALA H 1.502 0.133 27 66 PHE H 1.28 0.141 28 67 PHE H 1.317 0.154 29 68 ASN H 1.581 0.0822 30 69 THR H 1.388 0.154 31 70 ILE H 1.54 0.249 32 71 LEU H 1.376 0.164 33 73 ALA H 1.363 0.0525 34 74 PHE H 1.611 0.0591 35 75 ASP H 1.225 0.126 36 77 ALA H 1.371 0.0653 37 78 LEU H 1.312 0.0626 38 79 ARG H 1.549 0.0554 39 81 ASN H 1.611 0.101 40 82 VAL H 1.64 0.102 41 84 TRP H 1.45 0.123 42 92 ALA H 1.488 0.104 43 93 ALA H 1.544 0.0793 44 94 CYS H 1.648 0.154 45 95 ALA H 1.637 0.0994 46 96 ASP H 1.624 0.146 47 97 ARG H 1.577 0.0696 48 98 ILE H 1.318 0.0625 49 99 ILE H 1.668 0.27 50 100 LYS H 1.536 0.022 51 101 THR H 1.514 0.177 52 102 LEU H 1.419 0.134 53 103 SER H 1.471 0.0517 54 104 LYS H 1.419 0.0604 55 105 THR H 1.645 0.0595 56 107 ASN H 1.303 0.0371 57 108 LEU H 1.482 0.0525 58 109 ARG H 1.527 0.0192 59 110 LEU H 1.564 0.126 60 112 ILE H 1.334 0.0563 61 119 MET H 1.054 0.0352 62 120 TRP H 1.505 0.185 63 121 GLU H 1.232 0.0162 64 122 GLU H 1.501 0.117 65 124 GLU H 1.304 0.0894 66 125 ILE H 1.175 0.0323 67 126 GLN H 1.376 0.0901 68 127 ALA H 1.277 0.0296 69 128 ALA H 1.299 0.0642 70 129 LEU H 1.275 0.047 71 130 LYS H 1.524 0.119 72 131 LYS H 1.175 0.0328 73 132 LEU H 1.153 0.065 74 133 LYS H 1.407 0.0761 75 134 GLU H 1.317 0.0598 76 135 ALA H 1.522 0.072 77 136 GLY H 1.486 0.0728 78 137 CYS H 1.257 0.108 79 138 LYS H 1.269 0.103 80 140 ARG H 1.384 0.111 81 141 ILE H 1.441 0.0347 82 147 PHE H 1.452 0.119 83 148 GLU H 1.491 0.0823 84 149 TYR H 1.617 0.115 85 150 VAL H 1.64 0.14 86 152 GLN H 1.149 0.185 87 154 PHE H 1.092 0.132 88 155 VAL H 1.132 0.111 89 157 GLN H 1.354 0.0688 90 158 GLU H 1.144 0.0372 91 159 GLU H 1.092 0.046 92 160 GLY H 1.022 0.0592 93 161 GLU H 0.9636 0.042 94 162 SER H 1.013 0.0956 95 164 ALA H 1.518 0.081 96 166 GLN H 1.259 0.207 97 172 GLN H 1.265 0.0565 98 173 GLU H 1.37 0.231 99 176 LEU H 1.453 0.138 100 178 TYR H 1.453 0.102 101 179 GLU H 1.567 0.0824 102 180 GLU H 1.496 0.0292 103 181 LYS H 1.429 0.117 104 182 LEU H 1.67 0.223 105 183 ALA H 1.198 0.0751 106 184 ASP H 1.485 0.0459 107 186 LEU H 1.494 0.121 108 187 LYS H 1.466 0.0721 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 700 _T2_coherence_type S(+,-) _T2_value_units s _Mol_system_component_name 'A2POBEC2 41-224' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 5 VAL H 0.03296 0.00106 . . 2 6 THR H 0.03958 0.00162 . . 3 12 ALA H 0.03074 0.000774 . . 4 15 PHE H 0.03253 0.00232 . . 5 22 VAL H 0.03066 0.00361 . . 6 25 SER H 0.09162 0.00847 . . 7 32 PHE H 0.06284 0.00172 . . 8 35 TYR H 0.03419 0.00486 . . 9 36 VAL H 0.03042 0.00315 . . 10 37 VAL H 0.03133 0.00263 . . 11 38 GLU H 0.03423 0.00126 . . 12 39 ALA H 0.03685 0.000967 . . 13 40 GLN H 0.04446 0.00221 . . 14 41 GLY H 0.04291 0.0019 . . 15 44 GLY H 0.05802 0.00142 . . 16 45 GLN H 0.05452 0.00122 . . 17 46 VAL H 0.05551 0.00102 . . 18 47 GLN H 0.03925 0.00104 . . 19 48 ALA H 0.03972 0.000489 . . 20 49 SER H 0.03516 0.00339 . . 21 50 ARG H 0.03586 0.000735 . . 22 51 GLY H 0.04716 0.00159 . . 23 52 TYR H 0.02661 0.0018 . . 24 60 ALA H 0.03535 0.00138 . . 25 64 GLU H 0.03811 0.00138 . . 26 65 ALA H 0.0319 0.00112 . . 27 66 PHE H 0.03869 0.00172 . . 28 67 PHE H 0.03312 0.00177 . . 29 68 ASN H 0.03996 0.00246 . . 30 69 THR H 0.03141 0.00196 . . 31 70 ILE H 0.0375 0.00224 . . 32 71 LEU H 0.03061 0.00175 . . 33 73 ALA H 0.03507 0.000406 . . 34 74 PHE H 0.04284 0.000543 . . 35 75 ASP H 0.04103 0.00683 . . 36 77 ALA H 0.03397 0.00212 . . 37 78 LEU H 0.03561 0.00244 . . 38 79 ARG H 0.039 0.00161 . . 39 81 ASN H 0.03539 0.00275 . . 40 82 VAL H 0.03805 0.0027 . . 41 84 TRP H 0.03342 0.000819 . . 42 92 ALA H 0.02771 0.00602 . . 43 93 ALA H 0.03274 0.00157 . . 44 94 CYS H 0.02856 0.000965 . . 45 95 ALA H 0.03037 0.000394 . . 46 96 ASP H 0.03237 0.00187 . . 47 97 ARG H 0.03606 0.00141 . . 48 98 ILE H 0.03371 0.00255 . . 49 99 ILE H 0.04003 0.0088 . . 50 100 LYS H 0.03029 0.00188 . . 51 101 THR H 0.03231 0.00116 . . 52 102 LEU H 0.03356 0.00143 . . 53 103 SER H 0.03515 0.0017 . . 54 104 LYS H 0.03403 0.00126 . . 55 105 THR H 0.03612 0.00156 . . 56 107 ASN H 0.03344 0.000867 . . 57 108 LEU H 0.03837 0.00138 . . 58 109 ARG H 0.03253 0.00178 . . 59 110 LEU H 0.03539 0.00233 . . 60 112 ILE H 0.05261 0.00209 . . 61 119 MET H 0.04475 0.00349 . . 62 120 TRP H 0.03261 0.00222 . . 63 121 GLU H 0.03434 0.000614 . . 64 122 GLU H 0.03563 0.00171 . . 65 124 GLU H 0.02842 0.00205 . . 66 125 ILE H 0.03403 0.00103 . . 67 126 GLN H 0.03298 0.00285 . . 68 127 ALA H 0.03437 0.00288 . . 69 128 ALA H 0.02993 0.00158 . . 70 129 LEU H 0.04355 0.00327 . . 71 130 LYS H 0.03383 0.00414 . . 72 131 LYS H 0.0374 0.00208 . . 73 132 LEU H 0.03733 0.00214 . . 74 133 LYS H 0.03547 0.000898 . . 75 134 GLU H 0.03503 0.00111 . . 76 135 ALA H 0.0327 0.000695 . . 77 136 GLY H 0.03577 0.00143 . . 78 137 CYS H 0.03612 0.00173 . . 79 138 LYS H 0.0368 0.00193 . . 80 140 ARG H 0.03045 0.00216 . . 81 141 ILE H 0.02584 0.00332 . . 82 147 PHE H 0.03214 0.000938 . . 83 148 GLU H 0.03512 0.00148 . . 84 149 TYR H 0.04009 0.00177 . . 85 150 VAL H 0.03331 0.00132 . . 86 152 GLN H 0.03073 0.00423 . . 87 154 PHE H 0.03566 0.00221 . . 88 155 VAL H 0.03327 0.00204 . . 89 157 GLN H 0.03733 0.00175 . . 90 158 GLU H 0.05403 0.00169 . . 91 159 GLU H 0.05088 0.00126 . . 92 160 GLY H 0.07996 0.00374 . . 93 161 GLU H 0.07647 0.00105 . . 94 162 SER H 0.06934 0.00209 . . 95 164 ALA H 0.0378 0.00179 . . 96 166 GLN H 0.02904 0.00275 . . 97 172 GLN H 0.03173 0.000676 . . 98 173 GLU H 0.03476 0.00118 . . 99 176 LEU H 0.03559 0.00202 . . 100 178 TYR H 0.03605 0.00232 . . 101 179 GLU H 0.0326 0.00222 . . 102 180 GLU H 0.03569 0.00308 . . 103 181 LYS H 0.03028 0.00476 . . 104 182 LEU H 0.03444 0.00142 . . 105 183 ALA H 0.05376 0.00188 . . 106 184 ASP H 0.03319 0.000875 . . 107 186 LEU H 0.03406 0.00103 . . 108 187 LYS H 0.04406 0.00106 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '2D 1H-15N Heteronuclear NOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 700 _Mol_system_component_name 'A2POBEC2 41-224' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 4 ILE 0.39 . 5 VAL 0.41 . 6 THR 0.65 . 7 GLY 0.26 . 8 GLU 0.38 . 9 ARG 0.57 . 10 LEU 0.43 . 12 ALA 0.47 . 14 PHE 0.73 . 15 PHE 0.89 . 16 LYS 0.68 . 17 PHE 0.68 . 19 PHE 0.82 . 22 VAL 0.7 . 23 GLU 0.64 . 26 SER 0.85 . 32 PHE 0.39 . 33 LEU 0.74 . 34 CYS 0.94 . 35 TYR 0.75 . 36 VAL 0.84 . 37 VAL 0.87 . 38 GLU 0.75 . 39 ALA 0.71 . 40 GLN 0.66 . 41 GLY 0.64 . 44 GLY 0.39 . 45 GLN 0.55 . 46 VAL 0.46 . 47 GLN 0.61 . 48 ALA 0.57 . 49 SER 0.72 . 50 ARG 0.71 . 51 GLY 0.8 . 52 TYR 0.86 . 53 LEU 0.93 . 54 GLU 0.61 . 55 ASP 0.66 . 56 GLU 0.75 . 59 ALA 0.42 . 60 ALA 0.56 . 61 HIS 0.39 . 63 GLU 1.09 . 64 GLU 0.67 . 65 ALA 0.9 . 66 PHE 0.94 . 67 PHE 0.77 . 68 ASN 0.79 . 69 THR 1.04 . 70 ILE 0.68 . 71 LEU 0.98 . 73 ALA 0.74 . 74 PHE 0.72 . 75 ASP 0.67 . 77 ALA 0.75 . 78 LEU 0.8 . 79 ARG 0.77 . 81 ASN 0.84 . 82 VAL 0.72 . 83 THR 0.62 . 84 TRP 0.9 . 85 TYR 1.02 . 86 VAL 0.46 . 87 SER 0.75 . 91 CYS 0.91 . 92 ALA 0.93 . 93 ALA 0.77 . 94 CYS 0.77 . 95 ALA 0.96 . 96 ASP 0.79 . 97 ARG 0.86 . 98 ILE 0.85 . 99 ILE 0.79 . 100 LYS 0.68 . 101 THR 0.75 . 102 LEU 0.77 . 103 SER 0.83 . 104 LYS 0.69 . 105 THR 0.61 . 107 ASN 0.75 . 108 LEU 0.82 . 109 ARG 0.81 . 110 LEU 0.82 . 111 LEU 0.77 . 112 ILE 0.58 . 113 LEU 0.96 . 114 VAL 0.91 . 115 GLY 1.12 . 118 PHE 0.67 . 119 MET 0.59 . 120 TRP 0.73 . 121 GLU 0.76 . 122 GLU 0.73 . 124 GLU 0.58 . 125 ILE 0.98 . 126 GLN 0.83 . 127 ALA 0.82 . 128 ALA 0.7 . 129 LEU 0.86 . 130 LYS 0.79 . 131 LYS 0.78 . 132 LEU 0.82 . 133 LYS 0.79 . 134 GLU 0.74 . 135 ALA 0.85 . 136 GLY 0.82 . 137 CYS 0.79 . 138 LYS 0.58 . 139 LEU 0.63 . 140 ARG 0.68 . 141 ILE 0.73 . 142 MET 1.01 . 143 LYS 0.76 . 145 GLN 0.61 . 146 ASP 0.74 . 147 PHE 0.75 . 148 GLU 0.82 . 149 TYR 0.85 . 150 VAL 0.78 . 151 TRP 0.76 . 152 GLN 1.06 . 153 ASN 0.11 . 154 PHE 0.73 . 155 VAL 0.7 . 156 GLU 0.65 . 157 GLN 0.7 . 158 GLU 0.44 . 159 GLU 0.46 . 160 GLY 0.44 . 161 GLU 0.54 . 162 SER 0.43 . 163 LYS 0.58 . 164 ALA 0.59 . 165 PHE 0.57 . 166 GLN 0.59 . 170 ASP 0.45 . 171 ILE 0.81 . 172 GLN 0.99 . 173 GLU 0.66 . 175 PHE 0.16 . 176 LEU 0.83 . 177 TYR 0.76 . 178 TYR 0.83 . 179 GLU 0.71 . 180 GLU 0.67 . 181 LYS 0.77 . 182 LEU 0.82 . 183 ALA 0.83 . 184 ASP 0.8 . 185 ILE 1.12 . 186 LEU 0.92 . 187 LYS 0.37 . stop_ save_