data_7386 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Engrailed homeodomain helix-turn-helix motif ; _BMRB_accession_number 7386 _BMRB_flat_file_name bmr7386.str _Entry_type original _Submission_date 2007-04-20 _Accession_date 2007-06-12 _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 Religa T. L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 coupling_constants 1 residual_dipolar_couplings 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 301 "13C chemical shifts" 164 "15N chemical shifts" 45 "coupling constants" 86 "residual dipolar couplings" 43 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-10-29 original author . stop_ _Original_release_date 2007-10-29 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'The helix-turn-helix motif as an ultra-fast independently folding domain: The pathway of folding of Engrailed Homeodomain' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17517666 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Religa T. L. . 2 Johnson C. M. . 3 Vu D. M. . 4 Brewer S. H. . 5 Dyer R. B. . 6 Fersht A. R. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_volume 104 _Journal_issue 22 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9272 _Page_last 9277 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name homeobox _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label homeobox $Segmentation_polarity_homeobox_protein_engrailed 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_Segmentation_polarity_homeobox_protein_engrailed _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Segmentation_polarity_homeobox_protein_engrailed _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 44 _Mol_residue_sequence ; AKREFNENRYLTERRRQQLS SELGLNEAQIKIWFQNKRAK IKKS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 16 ALA 2 17 LYS 3 18 ARG 4 19 GLU 5 20 PHE 6 21 ASN 7 22 GLU 8 23 ASN 9 24 ARG 10 25 TYR 11 26 LEU 12 27 THR 13 28 GLU 14 29 ARG 15 30 ARG 16 31 ARG 17 32 GLN 18 33 GLN 19 34 LEU 20 35 SER 21 36 SER 22 37 GLU 23 38 LEU 24 39 GLY 25 40 LEU 26 41 ASN 27 42 GLU 28 43 ALA 29 44 GLN 30 45 ILE 31 46 LYS 32 47 ILE 33 48 TRP 34 49 PHE 35 50 GLN 36 51 ASN 37 52 LYS 38 53 ARG 39 54 ALA 40 55 LYS 41 56 ILE 42 57 LYS 43 58 LYS 44 59 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Segmentation_polarity_homeobox_protein_engrailed 'Fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster 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 $Segmentation_polarity_homeobox_protein_engrailed 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details '500uM engrailed fragment 16-59, 50mM d-acetate, 100 mM NaCl, pH 5.7, 93%H2O / 7% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Segmentation_polarity_homeobox_protein_engrailed 500 uM 'natural abundance' d-acetate 50 mM . NaCl 100 mM . H2O 93 % . D2O 7 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 'Last Update July 2, 2006' loop_ _Vendor _Address _Electronic_address Delaglio . . stop_ loop_ _Task processing stop_ _Details . save_ save_Sparky _Saveframe_category software _Name SPARKY _Version 3.106 loop_ _Vendor _Address _Electronic_address Goddart . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address Brunger . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS2 _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address Brunger . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample save_ save_2D_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label $sample 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' 145 . mM pH 5.7 . pH pressure 1 . atm temperature 278 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 internal indirect . . . . $citations $citations TSP H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $citations $citations DSS N 15 'methyl protons' ppm 0.00 internal indirect . . . 0.101329118 $citations $citations 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_ _Experiment_label '2D NOESY' '2D TOCSY' stop_ loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name homeobox _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 16 1 ALA HA H 4.111 0.02 1 2 16 1 ALA HB H 1.535 0.02 2 3 16 1 ALA C C 173.808 0.10 1 4 16 1 ALA CA C 51.710 0.10 1 5 16 1 ALA CB C 19.650 0.10 1 6 17 2 LYS H H 8.755 0.02 1 7 17 2 LYS HA H 4.328 0.02 1 8 17 2 LYS HB2 H 1.810 0.02 2 9 17 2 LYS HB3 H 1.784 0.02 2 10 17 2 LYS HD2 H 1.692 0.02 2 11 17 2 LYS HD3 H 1.692 0.02 2 12 17 2 LYS HG2 H 1.452 0.02 2 13 17 2 LYS HG3 H 1.426 0.02 2 14 17 2 LYS C C 176.549 0.10 1 15 17 2 LYS CA C 56.648 0.10 1 16 17 2 LYS CB C 33.168 0.10 1 17 17 2 LYS N N 121.409 0.10 1 18 18 3 ARG H H 8.678 0.02 1 19 18 3 ARG HA H 4.287 0.02 1 20 18 3 ARG HB2 H 1.758 0.02 2 21 18 3 ARG HB3 H 1.545 0.02 2 22 18 3 ARG HD2 H 3.175 0.02 2 23 18 3 ARG HD3 H 3.175 0.02 2 24 18 3 ARG HE H 7.259 0.02 1 25 18 3 ARG HG2 H 1.616 0.02 2 26 18 3 ARG C C 176.156 0.10 1 27 18 3 ARG CA C 56.357 0.10 1 28 18 3 ARG CB C 30.744 0.10 1 29 18 3 ARG N N 124.065 0.10 1 30 19 4 GLU H H 8.650 0.02 1 31 19 4 GLU HA H 4.283 0.02 1 32 19 4 GLU HB2 H 1.881 0.02 2 33 19 4 GLU HB3 H 1.986 0.02 2 34 19 4 GLU HG2 H 2.172 0.02 2 35 19 4 GLU HG3 H 2.230 0.02 2 36 19 4 GLU C C 176.221 0.10 1 37 19 4 GLU CA C 56.420 0.10 1 38 19 4 GLU CB C 30.465 0.10 1 39 19 4 GLU CG C 36.059 0.10 1 40 19 4 GLU N N 123.198 0.10 1 41 20 5 PHE H H 8.545 0.02 1 42 20 5 PHE HA H 4.586 0.02 1 43 20 5 PHE HB2 H 3.040 0.02 2 44 20 5 PHE HB3 H 3.098 0.02 2 45 20 5 PHE HD1 H 7.238 0.02 3 46 20 5 PHE HD2 H 7.238 0.02 3 47 20 5 PHE HE1 H 7.305 0.02 3 48 20 5 PHE HE2 H 7.305 0.02 3 49 20 5 PHE C C 175.550 0.10 1 50 20 5 PHE CA C 58.162 0.10 1 51 20 5 PHE CB C 39.717 0.10 1 52 20 5 PHE N N 122.005 0.10 1 53 21 6 ASN H H 8.491 0.02 1 54 21 6 ASN HA H 4.649 0.02 1 55 21 6 ASN HB2 H 2.785 0.02 2 56 21 6 ASN HB3 H 2.721 0.02 2 57 21 6 ASN HD21 H 7.746 0.02 2 58 21 6 ASN HD22 H 7.051 0.02 2 59 21 6 ASN C C 175.243 0.10 1 60 21 6 ASN CA C 53.265 0.10 1 61 21 6 ASN CB C 39.013 0.10 1 62 21 6 ASN N N 121.349 0.10 1 63 22 7 GLU H H 8.591 0.02 1 64 22 7 GLU HA H 4.157 0.02 1 65 22 7 GLU HB2 H 2.070 0.02 2 66 22 7 GLU HB3 H 1.999 0.02 2 67 22 7 GLU HG2 H 2.293 0.02 2 68 22 7 GLU HG3 H 2.293 0.02 2 69 22 7 GLU C C 176.696 0.10 1 70 22 7 GLU CA C 57.515 0.10 1 71 22 7 GLU CB C 30.057 0.10 1 72 22 7 GLU CG C 36.127 0.10 1 73 22 7 GLU N N 122.415 0.10 1 74 23 8 ASN H H 8.562 0.02 1 75 23 8 ASN HA H 4.641 0.02 1 76 23 8 ASN HB2 H 2.823 0.02 2 77 23 8 ASN HB3 H 2.823 0.02 2 78 23 8 ASN HD21 H 7.756 0.02 2 79 23 8 ASN HD22 H 7.067 0.02 2 80 23 8 ASN C C 176.271 0.10 1 81 23 8 ASN CA C 54.193 0.10 1 82 23 8 ASN CB C 38.468 0.10 1 83 23 8 ASN N N 119.225 0.10 1 84 24 9 ARG H H 8.304 0.02 1 85 24 9 ARG HA H 4.139 0.02 1 86 24 9 ARG HB2 H 1.718 0.02 2 87 24 9 ARG HB3 H 1.718 0.02 2 88 24 9 ARG HD2 H 3.098 0.02 2 89 24 9 ARG HD3 H 3.098 0.02 2 90 24 9 ARG HE H 7.257 0.02 1 91 24 9 ARG HG2 H 1.440 0.02 2 92 24 9 ARG HG3 H 1.440 0.02 2 93 24 9 ARG C C 176.893 0.10 1 94 24 9 ARG CA C 57.769 0.10 1 95 24 9 ARG CB C 30.228 0.10 1 96 24 9 ARG CG C 26.954 0.10 1 97 24 9 ARG N N 121.603 0.10 1 98 25 10 TYR H H 8.138 0.02 1 99 25 10 TYR HA H 4.510 0.02 1 100 25 10 TYR HB2 H 3.120 0.02 2 101 25 10 TYR HB3 H 3.001 0.02 2 102 25 10 TYR HD1 H 7.133 0.02 3 103 25 10 TYR HD2 H 7.133 0.02 3 104 25 10 TYR HE1 H 6.831 0.02 3 105 25 10 TYR HE2 H 6.831 0.02 3 106 25 10 TYR C C 176.650 0.10 1 107 25 10 TYR CA C 58.971 0.10 1 108 25 10 TYR CB C 38.337 0.10 1 109 25 10 TYR N N 119.537 0.10 1 110 26 11 LEU H H 8.101 0.02 1 111 26 11 LEU HA H 4.197 0.02 1 112 26 11 LEU HB2 H 1.599 0.02 2 113 26 11 LEU HB3 H 1.553 0.02 2 114 26 11 LEU HD1 H 0.900 0.02 2 115 26 11 LEU HD2 H 0.860 0.02 2 116 26 11 LEU C C 178.476 0.10 1 117 26 11 LEU CA C 56.084 0.10 1 118 26 11 LEU CB C 42.117 0.10 1 119 26 11 LEU CD1 C 25.135 0.10 2 120 26 11 LEU CD2 C 23.759 0.10 2 121 26 11 LEU N N 121.949 0.10 1 122 27 12 THR H H 8.078 0.02 1 123 27 12 THR HA H 4.187 0.02 1 124 27 12 THR HB H 4.407 0.02 1 125 27 12 THR HG2 H 1.261 0.02 2 126 27 12 THR C C 175.644 0.10 1 127 27 12 THR CA C 63.420 0.10 1 128 27 12 THR CB C 69.784 0.10 1 129 27 12 THR CG2 C 21.941 0.10 1 130 27 12 THR N N 115.118 0.10 1 131 28 13 GLU H H 8.525 0.02 1 132 28 13 GLU HA H 4.154 0.02 1 133 28 13 GLU HB2 H 2.057 0.02 2 134 28 13 GLU HB3 H 2.057 0.02 2 135 28 13 GLU HG2 H 2.329 0.02 2 136 28 13 GLU HG3 H 2.329 0.02 2 137 28 13 GLU C C 178.220 0.10 1 138 28 13 GLU CA C 58.709 0.10 1 139 28 13 GLU CB C 29.260 0.10 1 140 28 13 GLU CG C 36.018 0.10 1 141 28 13 GLU N N 122.669 0.10 1 142 29 14 ARG H H 8.350 0.02 1 143 29 14 ARG HA H 4.125 0.02 1 144 29 14 ARG HB2 H 1.809 0.02 2 145 29 14 ARG HB3 H 1.809 0.02 2 146 29 14 ARG HD2 H 3.157 0.02 2 147 29 14 ARG HD3 H 3.157 0.02 2 148 29 14 ARG HE H 7.276 0.02 1 149 29 14 ARG HG2 H 1.639 0.02 2 150 29 14 ARG HG3 H 1.581 0.02 2 151 29 14 ARG C C 178.411 0.10 1 152 29 14 ARG CA C 58.309 0.10 1 153 29 14 ARG CB C 30.072 0.10 1 154 29 14 ARG N N 120.179 0.10 1 155 30 15 ARG H H 8.104 0.02 1 156 30 15 ARG HA H 4.209 0.02 1 157 30 15 ARG HB2 H 1.963 0.02 2 158 30 15 ARG HB3 H 1.909 0.02 2 159 30 15 ARG HD2 H 3.178 0.02 2 160 30 15 ARG HD3 H 3.178 0.02 2 161 30 15 ARG HE H 7.383 0.02 1 162 30 15 ARG HG2 H 1.714 0.02 2 163 30 15 ARG HG3 H 1.618 0.02 2 164 30 15 ARG C C 177.933 0.10 1 165 30 15 ARG CA C 57.634 0.10 1 166 30 15 ARG CB C 29.803 0.10 1 167 30 15 ARG N N 120.661 0.10 1 168 31 16 ARG H H 8.432 0.02 1 169 31 16 ARG HA H 3.990 0.02 1 170 31 16 ARG HB2 H 1.935 0.02 2 171 31 16 ARG HB3 H 1.895 0.02 2 172 31 16 ARG HD2 H 3.182 0.02 2 173 31 16 ARG HD3 H 3.182 0.02 2 174 31 16 ARG HE H 7.581 0.02 1 175 31 16 ARG HG2 H 1.713 0.02 2 176 31 16 ARG HG3 H 1.580 0.02 2 177 31 16 ARG C C 178.193 0.10 1 178 31 16 ARG CA C 59.054 0.10 1 179 31 16 ARG CB C 30.256 0.10 1 180 31 16 ARG N N 120.734 0.10 1 181 32 17 GLN H H 8.303 0.02 1 182 32 17 GLN HA H 4.131 0.02 1 183 32 17 GLN HB2 H 2.149 0.02 2 184 32 17 GLN HB3 H 2.149 0.02 2 185 32 17 GLN HE21 H 7.706 0.02 2 186 32 17 GLN HE22 H 6.926 0.02 2 187 32 17 GLN HG2 H 2.413 0.02 2 188 32 17 GLN HG3 H 2.510 0.02 2 189 32 17 GLN C C 177.855 0.10 1 190 32 17 GLN CA C 57.854 0.10 1 191 32 17 GLN CB C 28.585 0.10 1 192 32 17 GLN CG C 33.878 0.10 1 193 32 17 GLN N N 119.365 0.10 1 194 33 18 GLN H H 8.199 0.02 1 195 33 18 GLN HA H 4.169 0.02 1 196 33 18 GLN HB2 H 2.155 0.02 2 197 33 18 GLN HB3 H 2.155 0.02 2 198 33 18 GLN HE21 H 6.829 0.02 2 199 33 18 GLN HE22 H 7.707 0.02 2 200 33 18 GLN HG2 H 2.480 0.02 2 201 33 18 GLN HG3 H 2.329 0.02 2 202 33 18 GLN C C 177.636 0.10 1 203 33 18 GLN CA C 57.865 0.10 1 204 33 18 GLN CB C 28.656 0.10 1 205 33 18 GLN CG C 33.694 0.10 1 206 33 18 GLN N N 121.184 0.10 1 207 33 18 GLN NE2 N 112.125 0.10 1 208 34 19 LEU H H 8.393 0.02 1 209 34 19 LEU HA H 4.116 0.02 1 210 34 19 LEU HB2 H 1.731 0.02 2 211 34 19 LEU HB3 H 1.390 0.02 2 212 34 19 LEU HD1 H 0.663 0.02 2 213 34 19 LEU HD2 H 0.577 0.02 2 214 34 19 LEU HG H 1.589 0.02 1 215 34 19 LEU C C 178.712 0.10 1 216 34 19 LEU CA C 56.856 0.10 1 217 34 19 LEU CB C 42.132 0.10 1 218 34 19 LEU CD1 C 25.579 0.10 2 219 34 19 LEU CD2 C 22.770 0.10 2 220 34 19 LEU N N 121.325 0.10 1 221 35 20 SER H H 8.242 0.02 1 222 35 20 SER HA H 4.345 0.02 1 223 35 20 SER HB2 H 3.955 0.02 2 224 35 20 SER HB3 H 3.908 0.02 2 225 35 20 SER C C 176.359 0.10 1 226 35 20 SER CA C 60.440 0.10 1 227 35 20 SER CB C 63.463 0.10 1 228 35 20 SER N N 114.456 0.10 1 229 36 21 SER H H 8.237 0.02 1 230 36 21 SER HA H 4.356 0.02 1 231 36 21 SER HB2 H 3.908 0.02 2 232 36 21 SER HB3 H 3.908 0.02 2 233 36 21 SER C C 175.804 0.10 1 234 36 21 SER CA C 60.178 0.10 1 235 36 21 SER CB C 63.530 0.10 1 236 36 21 SER N N 116.540 0.10 1 237 37 22 GLU H H 8.433 0.02 1 238 37 22 GLU HA H 4.219 0.02 1 239 37 22 GLU HB2 H 2.050 0.02 2 240 37 22 GLU HB3 H 2.050 0.02 2 241 37 22 GLU HG2 H 2.230 0.02 2 242 37 22 GLU HG3 H 2.371 0.02 2 243 37 22 GLU C C 177.664 0.10 1 244 37 22 GLU CA C 57.788 0.10 1 245 37 22 GLU CB C 29.894 0.10 1 246 37 22 GLU CG C 36.250 0.10 1 247 37 22 GLU N N 121.661 0.10 1 248 38 23 LEU H H 7.878 0.02 1 249 38 23 LEU HA H 4.343 0.02 1 250 38 23 LEU HB2 H 1.718 0.02 2 251 38 23 LEU HB3 H 1.502 0.02 2 252 38 23 LEU HD1 H 0.682 0.02 2 253 38 23 LEU HD2 H 0.790 0.02 2 254 38 23 LEU HG H 1.594 0.02 1 255 38 23 LEU C C 178.171 0.10 1 256 38 23 LEU CA C 55.381 0.10 1 257 38 23 LEU CB C 42.482 0.10 1 258 38 23 LEU CD1 C 25.187 0.10 2 259 38 23 LEU CD2 C 22.926 0.10 2 260 38 23 LEU N N 118.520 0.10 1 261 39 24 GLY H H 7.936 0.02 1 262 39 24 GLY HA2 H 3.935 0.02 2 263 39 24 GLY HA3 H 3.935 0.02 2 264 39 24 GLY C C 174.652 0.10 1 265 39 24 GLY CA C 46.068 0.10 1 266 39 24 GLY N N 108.765 0.10 1 267 40 25 LEU H H 7.706 0.02 1 268 40 25 LEU HA H 4.427 0.02 1 269 40 25 LEU HB2 H 1.491 0.02 2 270 40 25 LEU HB3 H 1.491 0.02 2 271 40 25 LEU HD1 H 0.675 0.02 2 272 40 25 LEU HD2 H 0.731 0.02 2 273 40 25 LEU C C 177.348 0.10 1 274 40 25 LEU CA C 54.848 0.10 1 275 40 25 LEU CB C 42.945 0.10 1 276 40 25 LEU CD1 C 25.435 0.10 2 277 40 25 LEU CD2 C 22.456 0.10 2 278 40 25 LEU N N 119.711 0.10 1 279 41 26 ASN H H 8.649 0.02 1 280 41 26 ASN HA H 4.713 0.02 1 281 41 26 ASN HB2 H 2.900 0.02 2 282 41 26 ASN HB3 H 3.146 0.02 2 283 41 26 ASN HD21 H 6.996 0.02 2 284 41 26 ASN HD22 H 7.604 0.02 2 285 41 26 ASN C C 175.576 0.10 1 286 41 26 ASN CA C 52.193 0.10 1 287 41 26 ASN CB C 38.543 0.10 1 288 41 26 ASN N N 119.551 0.10 1 289 42 27 GLU H H 8.569 0.02 1 290 42 27 GLU HA H 3.989 0.02 1 291 42 27 GLU HB2 H 2.054 0.02 2 292 42 27 GLU HB3 H 2.054 0.02 2 293 42 27 GLU HG2 H 2.316 0.02 2 294 42 27 GLU HG3 H 2.373 0.02 2 295 42 27 GLU C C 178.189 0.10 1 296 42 27 GLU CA C 59.564 0.10 1 297 42 27 GLU CB C 29.599 0.10 1 298 42 27 GLU CG C 36.247 0.10 1 299 42 27 GLU N N 118.844 0.10 1 300 43 28 ALA H H 8.311 0.02 1 301 43 28 ALA HA H 4.172 0.02 1 302 43 28 ALA HB H 1.480 0.02 2 303 43 28 ALA C C 180.520 0.10 1 304 43 28 ALA CA C 54.864 0.10 1 305 43 28 ALA CB C 18.328 0.10 1 306 43 28 ALA N N 122.906 0.10 1 307 44 29 GLN H H 8.461 0.02 1 308 44 29 GLN HA H 4.100 0.02 1 309 44 29 GLN HB2 H 2.246 0.02 2 310 44 29 GLN HB3 H 2.021 0.02 2 311 44 29 GLN HE21 H 7.553 0.02 2 312 44 29 GLN HE22 H 6.909 0.02 2 313 44 29 GLN HG2 H 2.377 0.02 2 314 44 29 GLN HG3 H 2.578 0.02 2 315 44 29 GLN C C 179.034 0.10 1 316 44 29 GLN CA C 57.806 0.10 1 317 44 29 GLN CB C 29.315 0.10 1 318 44 29 GLN CG C 34.177 0.10 1 319 44 29 GLN N N 118.057 0.10 1 320 45 30 ILE H H 8.544 0.02 1 321 45 30 ILE HA H 3.828 0.02 1 322 45 30 ILE HB H 1.934 0.02 1 323 45 30 ILE HD1 H 0.734 0.02 2 324 45 30 ILE HG12 H 1.628 0.02 1 325 45 30 ILE HG13 H 0.986 0.02 1 326 45 30 ILE HG2 H 0.990 0.02 2 327 45 30 ILE C C 177.204 0.10 1 328 45 30 ILE CA C 64.362 0.10 1 329 45 30 ILE CB C 37.871 0.10 1 330 45 30 ILE CD1 C 13.346 0.10 1 331 45 30 ILE CG1 C 29.537 0.10 1 332 45 30 ILE CG2 C 17.919 0.10 1 333 45 30 ILE N N 122.907 0.10 1 334 46 31 LYS H H 7.924 0.02 1 335 46 31 LYS HA H 4.211 0.02 1 336 46 31 LYS HB2 H 1.924 0.02 2 337 46 31 LYS HB3 H 1.924 0.02 2 338 46 31 LYS HD2 H 1.709 0.02 2 339 46 31 LYS HD3 H 1.709 0.02 2 340 46 31 LYS HE2 H 2.960 0.02 2 341 46 31 LYS HE3 H 2.960 0.02 2 342 46 31 LYS HG2 H 1.407 0.02 2 343 46 31 LYS HG3 H 1.613 0.02 2 344 46 31 LYS C C 179.083 0.10 1 345 46 31 LYS CA C 59.329 0.10 1 346 46 31 LYS CB C 32.489 0.10 1 347 46 31 LYS CD C 29.541 0.10 1 348 46 31 LYS CE C 42.127 0.10 1 349 46 31 LYS N N 120.987 0.10 1 350 47 32 ILE H H 7.597 0.02 1 351 47 32 ILE HA H 3.901 0.02 1 352 47 32 ILE HB H 1.928 0.02 1 353 47 32 ILE HD1 H 0.877 0.02 2 354 47 32 ILE HG12 H 1.630 0.02 1 355 47 32 ILE HG13 H 1.255 0.02 1 356 47 32 ILE HG2 H 0.916 0.02 2 357 47 32 ILE C C 177.348 0.10 1 358 47 32 ILE CA C 63.500 0.10 1 359 47 32 ILE CB C 38.259 0.10 1 360 47 32 ILE CD1 C 12.778 0.10 1 361 47 32 ILE CG1 C 28.692 0.10 1 362 47 32 ILE CG2 C 17.477 0.10 1 363 47 32 ILE N N 119.780 0.10 1 364 48 33 TRP H H 8.352 0.02 1 365 48 33 TRP HA H 4.273 0.02 1 366 48 33 TRP HB2 H 3.391 0.02 2 367 48 33 TRP HB3 H 3.214 0.02 2 368 48 33 TRP HD1 H 6.932 0.02 1 369 48 33 TRP HE1 H 10.164 0.02 1 370 48 33 TRP HE3 H 7.206 0.02 1 371 48 33 TRP HH2 H 7.124 0.02 1 372 48 33 TRP HZ2 H 7.399 0.02 1 373 48 33 TRP HZ3 H 6.900 0.02 1 374 48 33 TRP C C 178.544 0.10 1 375 48 33 TRP CA C 60.581 0.10 1 376 48 33 TRP CB C 29.254 0.10 1 377 48 33 TRP N N 123.287 0.10 1 378 48 33 TRP NE1 N 129.424 0.10 1 379 49 34 PHE H H 8.519 0.02 1 380 49 34 PHE HA H 4.246 0.02 1 381 49 34 PHE HB2 H 3.229 0.02 2 382 49 34 PHE HB3 H 3.164 0.02 2 383 49 34 PHE HD1 H 7.405 0.02 3 384 49 34 PHE HD2 H 7.405 0.02 3 385 49 34 PHE HE1 H 7.366 0.02 3 386 49 34 PHE HE2 H 7.366 0.02 3 387 49 34 PHE HZ H 7.289 0.02 1 388 49 34 PHE C C 177.549 0.10 1 389 49 34 PHE CA C 60.717 0.10 1 390 49 34 PHE CB C 39.398 0.10 1 391 49 34 PHE N N 118.096 0.10 1 392 50 35 GLN H H 8.186 0.02 1 393 50 35 GLN HA H 4.082 0.02 1 394 50 35 GLN HB2 H 2.199 0.02 2 395 50 35 GLN HB3 H 2.151 0.02 2 396 50 35 GLN HE21 H 7.646 0.02 2 397 50 35 GLN HE22 H 7.002 0.02 2 398 50 35 GLN HG2 H 2.492 0.02 2 399 50 35 GLN HG3 H 2.429 0.02 2 400 50 35 GLN C C 177.510 0.10 1 401 50 35 GLN CA C 57.843 0.10 1 402 50 35 GLN CB C 28.707 0.10 1 403 50 35 GLN CG C 33.930 0.10 1 404 50 35 GLN N N 120.218 0.10 1 405 51 36 ASN H H 8.359 0.02 1 406 51 36 ASN HA H 4.549 0.02 1 407 51 36 ASN HB2 H 2.769 0.02 2 408 51 36 ASN HB3 H 2.769 0.02 2 409 51 36 ASN HD21 H 7.666 0.02 2 410 51 36 ASN HD22 H 7.017 0.02 2 411 51 36 ASN C C 176.327 0.10 1 412 51 36 ASN CA C 54.308 0.10 1 413 51 36 ASN CB C 38.281 0.10 1 414 51 36 ASN N N 118.530 0.10 1 415 52 37 LYS H H 7.960 0.02 1 416 52 37 LYS HA H 4.049 0.02 1 417 52 37 LYS HB2 H 1.688 0.02 2 418 52 37 LYS HB3 H 1.521 0.02 2 419 52 37 LYS HD2 H 1.415 0.02 2 420 52 37 LYS HD3 H 1.415 0.02 2 421 52 37 LYS HE2 H 2.707 0.02 2 422 52 37 LYS HE3 H 2.799 0.02 2 423 52 37 LYS HG2 H 1.163 0.02 2 424 52 37 LYS HG3 H 1.163 0.02 2 425 52 37 LYS C C 177.510 0.10 1 426 52 37 LYS CA C 57.189 0.10 1 427 52 37 LYS CB C 32.282 0.10 1 428 52 37 LYS CD C 28.861 0.10 1 429 52 37 LYS CE C 42.014 0.10 1 430 52 37 LYS CG C 24.410 0.10 1 431 52 37 LYS N N 120.912 0.10 1 432 53 38 ARG H H 8.027 0.02 1 433 53 38 ARG HA H 4.175 0.02 1 434 53 38 ARG HB2 H 1.821 0.02 2 435 53 38 ARG HB3 H 1.736 0.02 2 436 53 38 ARG HD2 H 3.134 0.02 2 437 53 38 ARG HD3 H 3.134 0.02 2 438 53 38 ARG HG2 H 1.632 0.02 2 439 53 38 ARG HG3 H 1.576 0.02 2 440 53 38 ARG C C 176.654 0.10 1 441 53 38 ARG CA C 56.714 0.10 1 442 53 38 ARG CB C 30.476 0.10 1 443 53 38 ARG N N 120.283 0.10 1 444 54 39 ALA H H 8.077 0.02 1 445 54 39 ALA HA H 4.239 0.02 1 446 54 39 ALA HB H 1.405 0.02 2 447 54 39 ALA C C 177.960 0.10 1 448 54 39 ALA CA C 52.869 0.10 1 449 54 39 ALA CB C 19.253 0.10 1 450 54 39 ALA N N 124.017 0.10 1 451 55 40 LYS H H 8.203 0.02 1 452 55 40 LYS HA H 4.270 0.02 1 453 55 40 LYS HB2 H 1.834 0.02 2 454 55 40 LYS HB3 H 1.757 0.02 2 455 55 40 LYS HD2 H 1.668 0.02 2 456 55 40 LYS HD3 H 1.668 0.02 2 457 55 40 LYS HE2 H 2.986 0.02 2 458 55 40 LYS HE3 H 2.986 0.02 2 459 55 40 LYS HG2 H 1.486 0.02 2 460 55 40 LYS HG3 H 1.486 0.02 2 461 55 40 LYS C C 176.795 0.10 1 462 55 40 LYS CA C 56.437 0.10 1 463 55 40 LYS CB C 32.791 0.10 1 464 55 40 LYS CE C 42.120 0.10 1 465 55 40 LYS N N 120.392 0.10 1 466 56 41 ILE H H 8.144 0.02 1 467 56 41 ILE HA H 4.104 0.02 1 468 56 41 ILE HB H 1.842 0.02 1 469 56 41 ILE HD1 H 0.862 0.02 2 470 56 41 ILE HG12 H 1.204 0.02 1 471 56 41 ILE HG13 H 1.503 0.02 1 472 56 41 ILE HG2 H 0.900 0.02 2 473 56 41 ILE C C 176.264 0.10 1 474 56 41 ILE CA C 61.139 0.10 1 475 56 41 ILE CB C 38.504 0.10 1 476 56 41 ILE CD1 C 12.848 0.10 1 477 56 41 ILE CG1 C 27.480 0.10 1 478 56 41 ILE CG2 C 17.422 0.10 1 479 56 41 ILE N N 122.689 0.10 1 480 57 42 LYS H H 8.526 0.02 1 481 57 42 LYS HA H 4.332 0.02 1 482 57 42 LYS HB2 H 1.840 0.02 2 483 57 42 LYS HB3 H 1.769 0.02 2 484 57 42 LYS HD2 H 1.700 0.02 2 485 57 42 LYS HD3 H 1.700 0.02 2 486 57 42 LYS HG2 H 1.460 0.02 2 487 57 42 LYS HG3 H 1.460 0.02 2 488 57 42 LYS C C 176.338 0.10 1 489 57 42 LYS CA C 56.386 0.10 1 490 57 42 LYS CB C 33.195 0.10 1 491 57 42 LYS N N 126.972 0.10 1 492 58 43 LYS H H 8.595 0.02 1 493 58 43 LYS HA H 4.359 0.02 1 494 58 43 LYS HB2 H 1.790 0.02 2 495 58 43 LYS HB3 H 1.893 0.02 2 496 58 43 LYS HD2 H 1.694 0.02 2 497 58 43 LYS HD3 H 1.694 0.02 2 498 58 43 LYS HG2 H 1.479 0.02 2 499 58 43 LYS HG3 H 1.479 0.02 2 500 58 43 LYS C C 175.936 0.10 1 501 58 43 LYS CA C 56.630 0.10 1 502 58 43 LYS CB C 33.177 0.10 1 503 58 43 LYS N N 125.047 0.10 1 504 59 44 SER H H 8.146 0.02 1 505 59 44 SER HA H 4.269 0.02 1 506 59 44 SER HB2 H 3.864 0.02 2 507 59 44 SER HB3 H 3.864 0.02 2 508 59 44 SER CA C 60.104 0.10 1 509 59 44 SER CB C 64.749 0.10 1 510 59 44 SER N N 123.555 0.10 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constant_list_1 _Saveframe_category coupling_constants _Details . loop_ _Experiment_label '2D NOESY' '2D TOCSY' stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H . _Mol_system_component_name homeobox _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 2 LYS H 2 LYS HA 6.3 . . 0.5 2 3JHNHA 3 ARG H 3 ARG HA 6.9 . . 0.5 3 3JHNHA 4 GLU H 4 GLU HA 7.3 . . 0.5 4 3JHNHA 5 PHE H 5 PHE HA 7.6 . . 0.5 5 3JHNHA 6 ASN H 6 ASN HA 7.3 . . 0.5 6 3JHNHA 7 GLU H 7 GLU HA 5.8 . . 0.5 7 3JHNHA 8 ASN H 8 ASN HA 6.7 . . 0.5 8 3JHNHA 9 ARG H 9 ARG HA 6.0 . . 0.5 9 3JHNHA 10 TYR H 10 TYR HA 6.4 . . 0.5 10 3JHNHA 11 LEU H 11 LEU HA 6.6 . . 0.5 11 3JHNHA 12 THR H 12 THR HA 6.8 . . 0.5 12 3JHNHA 13 GLU H 13 GLU HA 6.2 . . 0.5 13 3JHNHA 14 ARG H 14 ARG HA 5.1 . . 0.5 14 3JHNHA 15 ARG H 15 ARG HA 6.1 . . 0.5 15 3JHNHA 16 ARG H 16 ARG HA 4.7 . . 0.5 16 3JHNHA 17 GLN H 17 GLN HA 5.7 . . 0.5 17 3JHNHA 18 GLN H 18 GLN HA 6.0 . . 0.5 18 3JHNHA 19 LEU H 19 LEU HA 5.5 . . 0.5 19 3JHNHA 20 SER H 20 SER HA 5.5 . . 0.5 20 3JHNHA 21 SER H 21 SER HA 6.5 . . 0.5 21 3JHNHA 22 GLU H 22 GLU HA 6.9 . . 0.5 22 3JHNHA 23 LEU H 23 LEU HA 7.1 . . 0.5 23 3JHNHA 24 GLY H 24 GLY HA 8.1 . . 0.5 24 3JHNHA 25 LEU H 25 LEU HA 7.0 . . 0.5 25 3JHNHA 26 ASN H 26 ASN HA 8.4 . . 0.5 26 3JHNHA 27 GLU H 27 GLU HA 3.4 . . 0.5 27 3JHNHA 28 ALA H 28 ALA HA 5.5 . . 0.5 28 3JHNHA 29 GLN H 29 GLN HA 5.9 . . 0.5 29 3JHNHA 30 ILE H 30 ILE HA 5.4 . . 0.5 30 3JHNHA 31 LYS H 31 LYS HA 4.5 . . 0.5 31 3JHNHA 32 ILE H 32 ILE HA 6.3 . . 0.5 32 3JHNHA 33 TRP H 33 TRP HA 4.6 . . 0.5 33 3JHNHA 34 PHE H 34 PHE HA 5.9 . . 0.5 34 3JHNHA 35 GLN H 35 GLN HA 6.1 . . 0.5 35 3JHNHA 36 ASN H 36 ASN HA 6.3 . . 0.5 36 3JHNHA 37 LYS H 37 LYS HA 6.6 . . 0.5 37 3JHNHA 38 ARG H 38 ARG HA 7.0 . . 0.5 38 3JHNHA 39 ALA H 39 ALA HA 5.7 . . 0.5 39 3JHNHA 40 LYS H 40 LYS HA 7.4 . . 0.5 40 3JHNHA 41 ILE H 41 ILE HA 8.5 . . 0.5 41 3JHNHA 42 LYS H 42 LYS HA 7.5 . . 0.5 42 3JHNHA 43 LYS H 43 LYS HA 7.6 . . 0.5 43 3JHNHA 44 SER H 44 SER HA 8.5 . . 0.5 44 1JHNN 2 LYS H 2 LYS N 93.6 . . 0.1 45 1JHNN 3 ARG H 3 ARG N 93.5 . . 0.1 46 1JHNN 4 GLU H 4 GLU N 93.3 . . 0.1 47 1JHNN 5 PHE H 5 PHE N 93.3 . . 0.1 48 1JHNN 6 ASN H 6 ASN N 93.7 . . 0.1 49 1JHNN 7 GLU H 7 GLU N 93.5 . . 0.1 50 1JHNN 8 ASN H 8 ASN N 93.8 . . 0.1 51 1JHNN 9 ARG H 9 ARG N 93.7 . . 0.1 52 1JHNN 10 TYR H 10 TYR N 93.5 . . 0.1 53 1JHNN 11 LEU H 11 LEU N 93.7 . . 0.1 54 1JHNN 12 THR H 12 THR N 93.4 . . 0.1 55 1JHNN 13 GLU H 13 GLU N 93.7 . . 0.1 56 1JHNN 14 ARG H 14 ARG N 93.8 . . 0.1 57 1JHNN 15 ARG H 15 ARG N 94.0 . . 0.1 58 1JHNN 16 ARG H 16 ARG N 93.9 . . 0.1 59 1JHNN 17 GLN H 17 GLN N 93.9 . . 0.1 60 1JHNN 18 GLN H 18 GLN N 93.8 . . 0.1 61 1JHNN 19 LEU H 19 LEU N 94.1 . . 0.1 62 1JHNN 20 SER H 20 SER N 93.7 . . 0.1 63 1JHNN 21 SER H 21 SER N 93.7 . . 0.1 64 1JHNN 22 GLU H 22 GLU N 93.5 . . 0.1 65 1JHNN 23 LEU H 23 LEU N 93.4 . . 0.1 66 1JHNN 24 GLY H 24 GLY N 94.5 . . 0.1 67 1JHNN 25 LEU H 25 LEU N 93.5 . . 0.1 68 1JHNN 26 ASN H 26 ASN N 93.8 . . 0.1 69 1JHNN 27 GLU H 27 GLU N 93.2 . . 0.1 70 1JHNN 28 ALA H 28 ALA N 94.6 . . 0.1 71 1JHNN 29 GLN H 29 GLN N 94.1 . . 0.1 72 1JHNN 30 ILE H 30 ILE N 93.8 . . 0.1 73 1JHNN 31 LYS H 31 LYS N 93.9 . . 0.1 74 1JHNN 32 ILE H 32 ILE N 93.1 . . 0.1 75 1JHNN 33 TRP H 33 TRP N 93.7 . . 0.1 76 1JHNN 34 PHE H 34 PHE N 94.3 . . 0.1 77 1JHNN 35 GLN H 35 GLN N 94.0 . . 0.1 78 1JHNN 36 ASN H 36 ASN N 94.1 . . 0.1 79 1JHNN 37 LYS H 37 LYS N 93.8 . . 0.1 80 1JHNN 38 ARG H 38 ARG N 93.8 . . 0.1 81 1JHNN 39 ALA H 39 ALA N 94.1 . . 0.1 82 1JHNN 40 LYS H 40 LYS N 93.5 . . 0.1 83 1JHNN 41 ILE H 41 ILE N 93.2 . . 0.1 84 1JHNN 42 LYS H 42 LYS N 93.7 . . 0.1 85 1JHNN 43 LYS H 43 LYS N 93.3 . . 0.1 86 1JHNN 44 SER H 44 SER N 92.8 . . 0.1 stop_ save_ save_RDC_list_1 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $sample stop_ _Details . _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _Text_data_format . _Text_data . 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 _Software_label _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value 1DHNN 2 LYS H 2 LYS N 2.5 $Sparky ? ? . . 1DHNN 3 ARG H 3 ARG N 4.5 $Sparky ? ? . . 1DHNN 4 GLU H 4 GLU N 4.6 $Sparky ? ? . . 1DHNN 5 PHE H 5 PHE N 1.6 $Sparky ? ? . . 1DHNN 6 ASN H 6 ASN N 1.1 $Sparky ? ? . . 1DHNN 7 GLU H 7 GLU N -0.4 $Sparky ? ? . . 1DHNN 8 ASN H 8 ASN N -0.4 $Sparky ? ? . . 1DHNN 9 ARG H 9 ARG N -3.0 $Sparky ? ? . . 1DHNN 10 TYR H 10 TYR N -5.8 $Sparky ? ? . . 1DHNN 11 LEU H 11 LEU N -5.8 $Sparky ? ? . . 1DHNN 12 THR H 12 THR N -1.8 $Sparky ? ? . . 1DHNN 13 GLU H 13 GLU N 1.4 $Sparky ? ? . . 1DHNN 14 ARG H 14 ARG N -2.6 $Sparky ? ? . . 1DHNN 15 ARG H 15 ARG N -2.5 $Sparky ? ? . . 1DHNN 16 ARG H 16 ARG N 0.3 $Sparky ? ? . . 1DHNN 17 GLN H 17 GLN N 0.2 $Sparky ? ? . . 1DHNN 18 GLN H 18 GLN N -1.8 $Sparky ? ? . . 1DHNN 19 LEU H 19 LEU N 1.0 $Sparky ? ? . . 1DHNN 20 SER H 20 SER N 2.7 $Sparky ? ? . . 1DHNN 21 SER H 21 SER N 0.3 $Sparky ? ? . . 1DHNN 22 GLU H 22 GLU N 0.1 $Sparky ? ? . . 1DHNN 23 LEU H 23 LEU N 2.4 $Sparky ? ? . . 1DHNN 24 GLY H 24 GLY N 3.1 $Sparky ? ? . . 1DHNN 25 LEU H 25 LEU N 1.3 $Sparky ? ? . . 1DHNN 26 ASN H 26 ASN N 3.2 $Sparky ? ? . . 1DHNN 27 GLU H 27 GLU N -8.6 $Sparky ? ? . . 1DHNN 28 ALA H 28 ALA N -7.9 $Sparky ? ? . . 1DHNN 29 GLN H 29 GLN N -10.8 $Sparky ? ? . . 1DHNN 30 ILE H 30 ILE N -8.7 $Sparky ? ? . . 1DHNN 31 LYS H 31 LYS N -7.2 $Sparky ? ? . . 1DHNN 32 ILE H 32 ILE N -8.5 $Sparky ? ? . . 1DHNN 33 TRP H 33 TRP N -11.4 $Sparky ? ? . . 1DHNN 34 PHE H 34 PHE N -9.5 $Sparky ? ? . . 1DHNN 35 GLN H 35 GLN N -7.4 $Sparky ? ? . . 1DHNN 36 ASN H 36 ASN N -8.1 $Sparky ? ? . . 1DHNN 37 LYS H 37 LYS N -5.3 $Sparky ? ? . . 1DHNN 38 ARG H 38 ARG N -1.4 $Sparky ? ? . . 1DHNN 39 ALA H 39 ALA N -1.3 $Sparky ? ? . . 1DHNN 40 LYS H 40 LYS N 1.8 $Sparky ? ? . . 1DHNN 41 ILE H 41 ILE N 3.0 $Sparky ? ? . . 1DHNN 42 LYS H 42 LYS N 5.6 $Sparky ? ? . . 1DHNN 43 LYS H 43 LYS N 6.7 $Sparky ? ? . . 1DHNN 44 SER H 44 SER N 3.2 $Sparky ? ? . . stop_ save_