data_30561 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of Pisum sativum defensin 2 (Psd2) provides evidence for the presence of hydrophobic surface clusters ; _BMRB_accession_number 30561 _BMRB_flat_file_name bmr30561.str _Entry_type original _Submission_date 2019-01-16 _Accession_date 2019-01-16 _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 Pinheiro-Aguiar R. . . 2 Amaral V. S.G. . 3 Bastos I. . . 4 Kurtenbach E. . . 5 Almeida F. C.L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 spectral_peak_list 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 252 "13C chemical shifts" 171 "15N chemical shifts" 44 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-08-16 original BMRB . stop_ _Original_release_date 2019-08-15 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Nuclear magnetic resonance solution structure of Pisum sativum defensin 2 provides evidence for the presence of hydrophobic surface-clusters. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31294889 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pinheiro-Aguiar R. . . 2 'do Amaral' V. S.G. . 3 Pereira I. B. . 4 Kurtenbach E. . . 5 Almeida F. C.L. . stop_ _Journal_abbreviation Proteins _Journal_volume . _Journal_issue . _Journal_ASTM PSFGEY _Journal_ISSN 1097-0134 _Journal_CSD 0867 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Defensin-2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 5414.161 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 47 _Mol_residue_sequence ; KTCENLSGTFKGPCIPDGNC NKHCRNNEHLLSGRCRDDFR CWCTNRC ; loop_ _Residue_seq_code _Residue_label 1 LYS 2 THR 3 CYS 4 GLU 5 ASN 6 LEU 7 SER 8 GLY 9 THR 10 PHE 11 LYS 12 GLY 13 PRO 14 CYS 15 ILE 16 PRO 17 ASP 18 GLY 19 ASN 20 CYS 21 ASN 22 LYS 23 HIS 24 CYS 25 ARG 26 ASN 27 ASN 28 GLU 29 HIS 30 LEU 31 LEU 32 SER 33 GLY 34 ARG 35 CYS 36 ARG 37 ASP 38 ASP 39 PHE 40 ARG 41 CYS 42 TRP 43 CYS 44 THR 45 ASN 46 ARG 47 CYS 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 $entity_1 'Garden pea' 3888 Eukaryota Viridiplantae Pisum sativum 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 $entity_1 'recombinant technology' . Komagataella pastoris . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-13C; U-15N] Psd2, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' 'phosphate buffer' 20 mM 'natural abundance' NaCl 10 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1 mM Psd2, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM 'natural abundance' 'phosphate buffer' 20 mM 'natural abundance' NaCl 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name 'CcpNmr Analysis' _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_4 _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_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 600 _Details 'TCI cryogenic probe head.' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _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' 0.012 . M pH 5.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'The chemical shift reference are calibrate with 15N-1H-HSQC.' 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 water H 1 protons ppm 0.0 na indirect . . . 1.0 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '2D 1H-13C HSQC aliphatic' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 LYS HA H 4.172 0.02 . 2 1 1 LYS HB2 H 1.979 0.02 . 3 1 1 LYS HB3 H 1.981 0.02 . 4 1 1 LYS HG2 H 1.499 0.02 . 5 1 1 LYS HG3 H 1.499 0.02 . 6 1 1 LYS HD2 H 1.726 0.02 . 7 1 1 LYS HD3 H 1.724 0.02 . 8 1 1 LYS HE2 H 3.020 0.02 . 9 1 1 LYS HE3 H 3.020 0.02 . 10 1 1 LYS C C 172.522 . . 11 1 1 LYS CA C 56.031 . . 12 1 1 LYS CB C 33.282 . . 13 1 1 LYS CG C 24.223 . . 14 2 2 THR H H 8.443 0.02 . 15 2 2 THR HA H 5.345 0.02 . 16 2 2 THR HB H 4.082 0.02 . 17 2 2 THR HG2 H 1.038 0.02 . 18 2 2 THR C C 174.336 . . 19 2 2 THR CA C 60.478 . . 20 2 2 THR CB C 71.313 . . 21 2 2 THR CG2 C 21.313 . . 22 2 2 THR N N 113.440 . . 23 3 3 CYS H H 9.069 0.02 . 24 3 3 CYS HA H 5.093 0.02 . 25 3 3 CYS HB2 H 2.915 0.02 . 26 3 3 CYS HB3 H 2.744 0.02 . 27 3 3 CYS C C 172.084 . . 28 3 3 CYS CA C 58.020 . . 29 3 3 CYS CB C 39.684 . . 30 3 3 CYS N N 118.528 . . 31 4 4 GLU H H 8.731 0.02 . 32 4 4 GLU HA H 5.535 0.02 . 33 4 4 GLU HB2 H 2.067 0.02 . 34 4 4 GLU HB3 H 1.804 0.02 . 35 4 4 GLU HG2 H 2.204 0.02 . 36 4 4 GLU HG3 H 2.279 0.02 . 37 4 4 GLU C C 175.287 . . 38 4 4 GLU CA C 54.766 . . 39 4 4 GLU CB C 32.600 . . 40 4 4 GLU CG C 37.694 . . 41 4 4 GLU N N 122.946 . . 42 5 5 ASN H H 8.980 0.02 . 43 5 5 ASN HA H 5.261 0.02 . 44 5 5 ASN HB2 H 2.747 0.02 . 45 5 5 ASN HB3 H 2.470 0.02 . 46 5 5 ASN HD21 H 7.720 0.02 . 47 5 5 ASN HD22 H 6.930 0.02 . 48 5 5 ASN C C 173.118 . . 49 5 5 ASN CA C 52.783 . . 50 5 5 ASN CB C 43.592 . . 51 5 5 ASN N N 121.726 . . 52 5 5 ASN ND2 N 111.770 . . 53 6 6 LEU H H 8.144 0.02 . 54 6 6 LEU HA H 3.071 0.02 . 55 6 6 LEU HB2 H 0.939 0.02 . 56 6 6 LEU HB3 H 0.750 0.02 . 57 6 6 LEU HG H 0.462 0.02 . 58 6 6 LEU HD1 H 0.261 0.02 . 59 6 6 LEU HD2 H 0.075 0.02 . 60 6 6 LEU C C 177.874 . . 61 6 6 LEU CA C 55.751 . . 62 6 6 LEU CB C 42.187 . . 63 6 6 LEU CG C 24.649 . . 64 6 6 LEU CD1 C 26.205 . . 65 6 6 LEU CD2 C 24.215 . . 66 6 6 LEU N N 125.223 . . 67 7 7 SER H H 8.626 0.02 . 68 7 7 SER HA H 4.476 0.02 . 69 7 7 SER HB2 H 4.104 0.02 . 70 7 7 SER HB3 H 3.518 0.02 . 71 7 7 SER C C 177.070 . . 72 7 7 SER CA C 57.993 . . 73 7 7 SER CB C 63.284 . . 74 7 7 SER N N 117.413 . . 75 8 8 GLY H H 9.768 0.02 . 76 8 8 GLY HA2 H 4.095 0.02 . 77 8 8 GLY HA3 H 3.890 0.02 . 78 8 8 GLY C C 175.406 . . 79 8 8 GLY CA C 45.979 . . 80 8 8 GLY N N 118.429 . . 81 9 9 THR H H 7.767 0.02 . 82 9 9 THR HA H 4.522 0.02 . 83 9 9 THR HB H 4.482 0.02 . 84 9 9 THR HG2 H 1.151 0.02 . 85 9 9 THR C C 174.639 . . 86 9 9 THR CA C 61.137 . . 87 9 9 THR CB C 70.651 . . 88 9 9 THR CG2 C 22.021 . . 89 9 9 THR N N 106.199 . . 90 10 10 PHE H H 7.831 0.02 . 91 10 10 PHE HA H 3.439 0.02 . 92 10 10 PHE HB2 H 2.792 0.02 . 93 10 10 PHE HB3 H 2.406 0.02 . 94 10 10 PHE HD1 H 6.804 0.02 . 95 10 10 PHE HD2 H 6.804 0.02 . 96 10 10 PHE C C 174.825 . . 97 10 10 PHE CA C 59.277 . . 98 10 10 PHE CB C 38.338 . . 99 10 10 PHE CD1 C 132.543 . . 100 10 10 PHE CD2 C 132.543 . . 101 10 10 PHE N N 125.755 . . 102 11 11 LYS H H 7.753 0.02 . 103 11 11 LYS HA H 4.406 0.02 . 104 11 11 LYS HB2 H 1.592 0.02 . 105 11 11 LYS HB3 H 1.492 0.02 . 106 11 11 LYS HG2 H 1.241 0.02 . 107 11 11 LYS HG3 H 1.331 0.02 . 108 11 11 LYS HD2 H 1.558 0.02 . 109 11 11 LYS HD3 H 2.189 0.02 . 110 11 11 LYS HE2 H 2.928 0.02 . 111 11 11 LYS C C 175.586 . . 112 11 11 LYS CA C 55.244 . . 113 11 11 LYS CB C 34.009 . . 114 11 11 LYS CG C 24.351 . . 115 11 11 LYS CD C 28.785 . . 116 11 11 LYS CE C 42.000 . . 117 11 11 LYS N N 128.748 . . 118 12 12 GLY H H 8.215 0.02 . 119 12 12 GLY HA2 H 3.864 0.02 . 120 12 12 GLY HA3 H 4.104 0.02 . 121 12 12 GLY CA C 44.267 . . 122 12 12 GLY N N 110.353 . . 123 13 13 PRO HA H 4.698 0.02 . 124 13 13 PRO HB2 H 2.312 0.02 . 125 13 13 PRO HB3 H 1.906 0.02 . 126 13 13 PRO HG2 H 2.076 0.02 . 127 13 13 PRO HG3 H 2.022 0.02 . 128 13 13 PRO HD2 H 3.618 0.02 . 129 13 13 PRO HD3 H 3.575 0.02 . 130 13 13 PRO CA C 62.805 . . 131 13 13 PRO CB C 32.230 . . 132 13 13 PRO CG C 27.245 . . 133 13 13 PRO CD C 49.276 . . 134 14 14 CYS HA H 4.737 0.02 . 135 14 14 CYS HB2 H 3.356 0.02 . 136 14 14 CYS HB3 H 2.989 0.02 . 137 14 14 CYS CA C 56.743 . . 138 14 14 CYS CB C 38.327 . . 139 15 15 ILE HA H 4.827 0.02 . 140 15 15 ILE HB H 2.082 0.02 . 141 15 15 ILE HG12 H 1.199 0.02 . 142 15 15 ILE HG13 H 1.288 0.02 . 143 15 15 ILE HG2 H 0.978 0.02 . 144 15 15 ILE HD1 H 0.894 0.02 . 145 15 15 ILE CA C 63.269 . . 146 15 15 ILE CB C 39.473 . . 147 15 15 ILE CG1 C 26.414 . . 148 15 15 ILE CG2 C 17.973 . . 149 15 15 ILE CD1 C 13.613 . . 150 16 16 PRO HA H 4.938 0.02 . 151 16 16 PRO HB2 H 2.373 0.02 . 152 16 16 PRO HB3 H 2.035 0.02 . 153 16 16 PRO HG2 H 2.016 0.02 . 154 16 16 PRO HG3 H 1.964 0.02 . 155 16 16 PRO HD2 H 3.687 0.02 . 156 16 16 PRO HD3 H 3.742 0.02 . 157 16 16 PRO CA C 63.250 . . 158 16 16 PRO CB C 28.258 . . 159 16 16 PRO CG C 27.753 . . 160 16 16 PRO CD C 50.989 . . 161 17 17 ASP HA H 4.730 0.02 . 162 17 17 ASP HB2 H 3.106 0.02 . 163 17 17 ASP HB3 H 2.533 0.02 . 164 17 17 ASP C C 178.007 . . 165 17 17 ASP CA C 52.755 . . 166 17 17 ASP CB C 41.511 . . 167 18 18 GLY H H 8.492 0.02 . 168 18 18 GLY HA2 H 4.317 0.02 . 169 18 18 GLY HA3 H 4.094 0.02 . 170 18 18 GLY CA C 45.815 . . 171 18 18 GLY N N 107.969 . . 172 19 19 ASN H H 6.834 0.02 . 173 19 19 ASN HA H 4.316 0.02 . 174 19 19 ASN HB2 H 3.036 0.02 . 175 19 19 ASN HB3 H 2.654 0.02 . 176 19 19 ASN HD21 H 7.704 0.02 . 177 19 19 ASN HD22 H 7.134 0.02 . 178 19 19 ASN C C 176.094 . . 179 19 19 ASN CA C 52.984 . . 180 19 19 ASN CB C 39.806 . . 181 19 19 ASN ND2 N 114.303 . . 182 20 20 CYS H H 8.379 0.02 . 183 20 20 CYS HA H 4.309 0.02 . 184 20 20 CYS HB2 H 2.762 0.02 . 185 20 20 CYS HB3 H 2.630 0.02 . 186 20 20 CYS C C 175.514 . . 187 20 20 CYS CA C 58.597 . . 188 20 20 CYS CB C 34.997 . . 189 20 20 CYS N N 113.062 . . 190 21 21 ASN H H 8.508 0.02 . 191 21 21 ASN HA H 3.994 0.02 . 192 21 21 ASN HB2 H 3.129 0.02 . 193 21 21 ASN HB3 H 2.797 0.02 . 194 21 21 ASN HD21 H 6.791 0.02 . 195 21 21 ASN HD22 H 7.778 0.02 . 196 21 21 ASN C C 176.487 . . 197 21 21 ASN CA C 57.848 . . 198 21 21 ASN CB C 39.007 . . 199 21 21 ASN N N 119.227 . . 200 21 21 ASN ND2 N 113.653 . . 201 22 22 LYS H H 7.705 0.02 . 202 22 22 LYS HA H 3.921 0.02 . 203 22 22 LYS HB2 H 1.990 0.02 . 204 22 22 LYS HB3 H 1.988 0.02 . 205 22 22 LYS HG2 H 1.626 0.02 . 206 22 22 LYS HG3 H 1.487 0.02 . 207 22 22 LYS HD2 H 1.731 0.02 . 208 22 22 LYS HD3 H 1.731 0.02 . 209 22 22 LYS HE2 H 3.002 0.02 . 210 22 22 LYS HE3 H 3.000 0.02 . 211 22 22 LYS C C 177.983 . . 212 22 22 LYS CA C 60.092 . . 213 22 22 LYS CB C 32.632 . . 214 22 22 LYS CG C 25.438 . . 215 22 22 LYS CD C 29.417 . . 216 22 22 LYS CE C 42.019 . . 217 22 22 LYS N N 116.499 . . 218 23 23 HIS H H 8.718 0.02 . 219 23 23 HIS HA H 4.385 0.02 . 220 23 23 HIS HB2 H 3.564 0.02 . 221 23 23 HIS HB3 H 3.508 0.02 . 222 23 23 HIS C C 178.728 . . 223 23 23 HIS CA C 60.191 . . 224 23 23 HIS CB C 30.808 . . 225 23 23 HIS N N 119.694 . . 226 24 24 CYS H H 9.143 0.02 . 227 24 24 CYS HA H 4.104 0.02 . 228 24 24 CYS HB2 H 2.600 0.02 . 229 24 24 CYS HB3 H 2.544 0.02 . 230 24 24 CYS C C 175.747 . . 231 24 24 CYS CA C 59.084 . . 232 24 24 CYS CB C 37.749 . . 233 24 24 CYS N N 118.475 . . 234 25 25 ARG H H 7.868 0.02 . 235 25 25 ARG HA H 4.276 0.02 . 236 25 25 ARG HB2 H 1.534 0.02 . 237 25 25 ARG HB3 H 1.800 0.02 . 238 25 25 ARG HG2 H 1.494 0.02 . 239 25 25 ARG HG3 H 1.492 0.02 . 240 25 25 ARG HD2 H 3.259 0.02 . 241 25 25 ARG HD3 H 3.027 0.02 . 242 25 25 ARG C C 171.035 . . 243 25 25 ARG CA C 58.766 . . 244 25 25 ARG CB C 31.294 . . 245 25 25 ARG CG C 31.313 . . 246 25 25 ARG CD C 43.530 . . 247 25 25 ARG N N 116.157 . . 248 26 26 ASN H H 8.882 0.02 . 249 26 26 ASN HA H 4.466 0.02 . 250 26 26 ASN HB2 H 2.861 0.02 . 251 26 26 ASN HB3 H 2.719 0.02 . 252 26 26 ASN HD21 H 7.621 0.02 . 253 26 26 ASN HD22 H 7.014 0.02 . 254 26 26 ASN C C 175.569 . . 255 26 26 ASN CA C 55.247 . . 256 26 26 ASN CB C 38.082 . . 257 26 26 ASN N N 116.522 . . 258 26 26 ASN ND2 N 113.282 . . 259 27 27 ASN H H 7.954 0.02 . 260 27 27 ASN HA H 4.658 0.02 . 261 27 27 ASN HB2 H 2.481 0.02 . 262 27 27 ASN HB3 H 2.289 0.02 . 263 27 27 ASN HD21 H 6.992 0.02 . 264 27 27 ASN HD22 H 7.837 0.02 . 265 27 27 ASN C C 176.209 . . 266 27 27 ASN CA C 54.520 . . 267 27 27 ASN CB C 37.731 . . 268 27 27 ASN N N 115.147 . . 269 27 27 ASN ND2 N 112.809 . . 270 28 28 GLU H H 7.024 0.02 . 271 28 28 GLU HA H 4.275 0.02 . 272 28 28 GLU HB2 H 2.296 0.02 . 273 28 28 GLU HB3 H 2.239 0.02 . 274 28 28 GLU HG2 H 2.018 0.02 . 275 28 28 GLU HG3 H 2.019 0.02 . 276 28 28 GLU C C 175.486 . . 277 28 28 GLU CA C 56.521 . . 278 28 28 GLU CB C 30.069 . . 279 28 28 GLU CG C 37.926 . . 280 28 28 GLU N N 114.454 . . 281 29 29 HIS H H 6.513 0.02 . 282 29 29 HIS HA H 4.660 0.02 . 283 29 29 HIS HB2 H 3.548 0.02 . 284 29 29 HIS HB3 H 3.432 0.02 . 285 29 29 HIS C C 174.232 . . 286 29 29 HIS CA C 56.287 . . 287 29 29 HIS CB C 25.174 . . 288 29 29 HIS N N 111.335 . . 289 30 30 LEU H H 8.653 0.02 . 290 30 30 LEU HA H 4.942 0.02 . 291 30 30 LEU HB2 H 1.915 0.02 . 292 30 30 LEU HB3 H 1.438 0.02 . 293 30 30 LEU HG H 1.753 0.02 . 294 30 30 LEU HD1 H 0.955 0.02 . 295 30 30 LEU HD2 H 0.939 0.02 . 296 30 30 LEU C C 176.206 . . 297 30 30 LEU CA C 53.217 . . 298 30 30 LEU CB C 40.222 . . 299 30 30 LEU CG C 26.336 . . 300 30 30 LEU CD1 C 26.268 . . 301 30 30 LEU CD2 C 21.993 . . 302 30 30 LEU N N 119.961 . . 303 31 31 LEU H H 8.196 0.02 . 304 31 31 LEU HA H 4.180 0.02 . 305 31 31 LEU HB2 H 1.617 0.02 . 306 31 31 LEU HB3 H 1.427 0.02 . 307 31 31 LEU HG H 1.706 0.02 . 308 31 31 LEU HD1 H 0.785 0.02 . 309 31 31 LEU HD2 H 0.867 0.02 . 310 31 31 LEU C C 178.436 . . 311 31 31 LEU CA C 58.228 . . 312 31 31 LEU CB C 42.935 . . 313 31 31 LEU CG C 26.988 . . 314 31 31 LEU CD1 C 25.549 . . 315 31 31 LEU CD2 C 22.544 . . 316 31 31 LEU N N 116.238 . . 317 32 32 SER H H 7.558 0.02 . 318 32 32 SER HA H 4.562 0.02 . 319 32 32 SER HB2 H 4.109 0.02 . 320 32 32 SER HB3 H 3.983 0.02 . 321 32 32 SER C C 172.898 . . 322 32 32 SER CA C 57.770 . . 323 32 32 SER CB C 63.751 . . 324 32 32 SER N N 106.131 . . 325 33 33 GLY H H 9.052 0.02 . 326 33 33 GLY HA2 H 5.332 0.02 . 327 33 33 GLY HA3 H 4.063 0.02 . 328 33 33 GLY C C 177.998 . . 329 33 33 GLY CA C 46.923 . . 330 33 33 GLY N N 108.318 . . 331 34 34 ARG H H 8.882 0.02 . 332 34 34 ARG HA H 4.846 0.02 . 333 34 34 ARG HB2 H 2.018 0.02 . 334 34 34 ARG HB3 H 1.641 0.02 . 335 34 34 ARG HG2 H 1.549 0.02 . 336 34 34 ARG HG3 H 1.651 0.02 . 337 34 34 ARG HD2 H 3.266 0.02 . 338 34 34 ARG HD3 H 3.132 0.02 . 339 34 34 ARG C C 174.960 . . 340 34 34 ARG CA C 53.737 . . 341 34 34 ARG CB C 31.701 . . 342 34 34 ARG CG C 26.310 . . 343 34 34 ARG CD C 42.463 . . 344 34 34 ARG N N 116.549 . . 345 35 35 CYS H H 8.924 0.02 . 346 35 35 CYS HA H 4.173 0.02 . 347 35 35 CYS HB2 H 3.540 0.02 . 348 35 35 CYS HB3 H 3.397 0.02 . 349 35 35 CYS C C 172.992 . . 350 35 35 CYS CA C 59.825 . . 351 35 35 CYS CB C 35.803 . . 352 35 35 CYS N N 119.501 . . 353 36 36 ARG H H 8.805 0.02 . 354 36 36 ARG HA H 5.100 0.02 . 355 36 36 ARG HB2 H 1.792 0.02 . 356 36 36 ARG HB3 H 2.185 0.02 . 357 36 36 ARG HG2 H 1.839 0.02 . 358 36 36 ARG HG3 H 1.364 0.02 . 359 36 36 ARG HD2 H 3.216 0.02 . 360 36 36 ARG HD3 H 3.330 0.02 . 361 36 36 ARG C C 174.633 . . 362 36 36 ARG CA C 52.851 . . 363 36 36 ARG CB C 35.974 . . 364 36 36 ARG CG C 25.840 . . 365 36 36 ARG CD C 43.451 . . 366 36 36 ARG N N 121.357 . . 367 37 37 ASP H H 9.015 0.02 . 368 37 37 ASP HA H 4.640 0.02 . 369 37 37 ASP HB2 H 1.833 0.02 . 370 37 37 ASP HB3 H 1.833 0.02 . 371 37 37 ASP C C 176.836 . . 372 37 37 ASP CA C 55.359 . . 373 37 37 ASP CB C 38.761 . . 374 37 37 ASP N N 120.434 . . 375 38 38 ASP H H 8.295 0.02 . 376 38 38 ASP HA H 4.067 0.02 . 377 38 38 ASP HB2 H 2.635 0.02 . 378 38 38 ASP HB3 H 2.634 0.02 . 379 38 38 ASP C C 174.271 . . 380 38 38 ASP CA C 55.725 . . 381 38 38 ASP CB C 39.495 . . 382 38 38 ASP N N 120.333 . . 383 39 39 PHE H H 7.959 0.02 . 384 39 39 PHE HA H 5.083 0.02 . 385 39 39 PHE HB2 H 2.896 0.02 . 386 39 39 PHE HB3 H 2.693 0.02 . 387 39 39 PHE HD1 H 6.940 0.02 . 388 39 39 PHE HD2 H 6.940 0.02 . 389 39 39 PHE C C 175.089 . . 390 39 39 PHE CA C 54.080 . . 391 39 39 PHE CB C 39.109 . . 392 39 39 PHE CD1 C 130.456 . . 393 39 39 PHE CD2 C 130.456 . . 394 39 39 PHE N N 116.604 . . 395 40 40 ARG H H 8.432 0.02 . 396 40 40 ARG HA H 4.663 0.02 . 397 40 40 ARG CA C 56.079 . . 398 40 40 ARG CB C 43.392 . . 399 40 40 ARG N N 125.159 . . 400 41 41 CYS HA H 4.910 0.02 . 401 41 41 CYS HB2 H 2.085 0.02 . 402 41 41 CYS HB3 H 1.658 0.02 . 403 41 41 CYS CA C 54.185 . . 404 41 41 CYS CB C 36.000 . . 405 42 42 TRP H H 9.053 0.02 . 406 42 42 TRP HA H 4.778 0.02 . 407 42 42 TRP HB2 H 2.924 0.02 . 408 42 42 TRP HB3 H 2.874 0.02 . 409 42 42 TRP HD1 H 7.410 0.02 . 410 42 42 TRP HE1 H 9.393 0.02 . 411 42 42 TRP HE3 H 6.954 0.02 . 412 42 42 TRP HZ2 H 7.489 0.02 . 413 42 42 TRP HZ3 H 7.109 0.02 . 414 42 42 TRP HH2 H 7.230 0.02 . 415 42 42 TRP C C 176.698 . . 416 42 42 TRP CA C 56.281 . . 417 42 42 TRP CB C 29.870 . . 418 42 42 TRP CD1 C 126.820 . . 419 42 42 TRP CE3 C 118.883 . . 420 42 42 TRP CZ2 C 115.427 . . 421 42 42 TRP CZ3 C 120.403 . . 422 42 42 TRP CH2 C 124.345 . . 423 42 42 TRP N N 130.169 . . 424 42 42 TRP NE1 N 124.939 . . 425 43 43 CYS H H 9.202 0.02 . 426 43 43 CYS HA H 5.949 0.02 . 427 43 43 CYS HB2 H 3.237 0.02 . 428 43 43 CYS HB3 H 2.934 0.02 . 429 43 43 CYS C C 175.559 . . 430 43 43 CYS CA C 51.690 . . 431 43 43 CYS CB C 39.246 . . 432 43 43 CYS N N 120.338 . . 433 44 44 THR H H 9.027 0.02 . 434 44 44 THR HA H 5.260 0.02 . 435 44 44 THR HB H 4.054 0.02 . 436 44 44 THR HG2 H 1.121 0.02 . 437 44 44 THR C C 171.943 . . 438 44 44 THR CA C 62.950 . . 439 44 44 THR CB C 69.519 . . 440 44 44 THR CG2 C 21.349 . . 441 44 44 THR N N 121.141 . . 442 45 45 ASN H H 9.261 0.02 . 443 45 45 ASN HA H 5.099 0.02 . 444 45 45 ASN HB2 H 2.933 0.02 . 445 45 45 ASN HB3 H 2.730 0.02 . 446 45 45 ASN HD21 H 7.582 0.02 . 447 45 45 ASN HD22 H 7.062 0.02 . 448 45 45 ASN CA C 54.108 . . 449 45 45 ASN CB C 38.207 . . 450 45 45 ASN N N 123.063 . . 451 45 45 ASN ND2 N 110.816 . . 452 46 46 ARG HA H 4.668 0.02 . 453 46 46 ARG HB2 H 1.697 0.02 . 454 46 46 ARG HB3 H 1.904 0.02 . 455 46 46 ARG HG2 H 1.259 0.02 . 456 46 46 ARG HG3 H 1.620 0.02 . 457 46 46 ARG HD2 H 2.987 0.02 . 458 46 46 ARG HD3 H 2.851 0.02 . 459 46 46 ARG CA C 54.461 . . 460 46 46 ARG CB C 32.474 . . 461 46 46 ARG CG C 24.898 . . 462 46 46 ARG CD C 43.622 . . 463 47 47 CYS HA H 4.302 0.02 . 464 47 47 CYS HB2 H 1.365 0.02 . 465 47 47 CYS HB3 H 1.365 0.02 . 466 47 47 CYS CA C 52.379 . . 467 47 47 CYS CB C 19.189 . . stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Details 'all atom assignment in list' _Experiment_label '3D HNCACB' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H HN 2 C CA 3 N HN stop_ _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_1 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_1 >> _Spectral_peak_list.Entry_ID 30561 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 3 >> _Spectral_peak_list.Experiment_name '3D HNCACB' >> _Spectral_peak_list.Experiment_class . >> _Spectral_peak_list.Experiment_type . >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Chemical_shift_list . >> _Spectral_peak_list.Assigned_chem_shift_list_ID 1 >> _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 >> _Spectral_peak_list.Details 'all atom assignment in list' >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >>Number # Position F1 Position F2 Assign F1 Assign F2 Height Volume >>1 1 9.77115 4.48149 8GlyH 7SerHa None 1.79942e+07 >>2 2 9.76474 4.09561 8GlyH 8GlyHab None 5.23270e+06 >>3 3 9.76883 3.89640 8GlyH 8GlyHaa None 8.77520e+06 >>4 4 9.24915 5.52265 45AsnH 4GluHa None 5.99819e+06 >>5 5 9.26103 5.34456 45AsnH 2ThrHa None 4.43925e+06 >>6 6 9.24927 5.27072 45AsnH 44ThrHa None 5.39719e+07 >>7 7 9.24280 5.11078 45AsnH 45AsnHa None 1.01317e+07 >>8 8 9.24754 4.07282 45AsnH (44Thr/2Thr)Hb None 4.53197e+06 >>9 9 9.24710 1.84943 45AsnH (11Lys/36Arg)(Hd3/Hgb) None 1.62706e+07 >>10 10 9.25447 1.80789 45AsnH 4GluHba None 5.40004e+06 >>11 11 9.24526 1.36857 45AsnH 47CysHb2 None 7.56708e+06 >>12 12 9.25615 1.12720 45AsnH 44ThrHg2* None 1.69715e+07 >>13 13 9.25467 9.07295 45AsnH 3CysH None 1.06767e+07 >>14 14 9.02448 7.56986 44ThrH 32SerH None 8.00355e+06 >>15 15 9.05709 9.26153 3CysH 45AsnH None 1.60777e+07 >>16 16 5.07070 2.69478 (45Asn/39Phe)Ha (39Phe/45Asn)Hba None 7.58017e+06 >>17 17 9.16469 2.62820 24CysH 24CysHbb None 1.11306e+07 >>18 18 9.14461 2.94724 24CysH 43CysHba None 1.16812e+07 >>19 19 9.16198 4.10302 24CysH 24CysHa None 5.83489e+06 >>20 20 9.14745 5.95325 43CysH 43CysHa None 4.15317e+06 >>21 21 9.14951 3.24641 24CysH 43CysHbb None 4.42662e+06 >>22 22 9.16644 7.84016 24CysH 25ArgH None 5.22250e+06 >>23 23 9.07222 5.10587 3CysH 3CysHa None 7.07764e+06 >>24 24 9.05055 5.09997 (42Trp/33Gly)H (36Arg/45Asn)Ha None 1.01096e+07 >>25 25 9.00500 4.90854 37AspH 16ProHa None 1.35765e+07 >>26 26 9.05614 5.35088 3CysH 2ThrHa None 5.82889e+07 >>27 27 9.02212 5.26700 44ThrH 44ThrHa None 8.85871e+06 >>28 28 9.04655 4.56460 33GlyH 32SerHa None 1.81688e+07 >>29 29 9.02684 4.05755 44ThrH 44ThrHb None 2.43261e+07 >>30 30 9.04712 4.00562 33GlyH 32SerHba None 2.76135e+07 >>31 31 9.05467 4.08329 3CysH 2ThrHb None 3.27035e+07 >>32 32 9.00620 0.78862 44ThrH 31LeuHda* None 9.25825e+06 >>33 33 9.05564 1.04343 3CysH 2ThrHg2* None 7.27568e+06 >>34 34 9.05664 1.12471 3CysH 44ThrHg2* None 9.38488e+06 >>35 35 9.05735 2.74805 3CysH 3CysHba None 1.36586e+07 >>36 36 9.00366 2.94818 44ThrH 43CysHba None 6.28075e+06 >>37 37 9.05327 2.92115 42TrpH 42TrpHb2 None 7.77446e+06 >>38 38 9.04566 3.15840 33GlyH (21Asn/34Arg)(Hbb/Hda) None 3.56999e+06 >>39 39 9.02346 3.24909 44ThrH 43CysHbb None 1.08747e+07 >>40 40 9.02589 5.95600 44ThrH 43CysHa None 3.03877e+07 >>41 41 8.95832 5.52857 5AsnH 4GluHa None 3.92915e+07 >>42 42 8.95880 5.26854 5AsnH 5AsnHa None 1.36966e+07 >>43 43 9.00660 5.11048 37AspH 36ArgHa None 5.13160e+07 >>44 44 8.96517 6.95975 5AsnH 42TrpHe3 None 4.00105e+06 >>45 45 8.95803 2.47146 5AsnH 5AsnHba None 8.47552e+06 >>46 46 8.95728 2.29089 5AsnH 4GluHgb None 4.30436e+06 >>47 47 8.95989 2.20110 5AsnH 4GluHga None 3.58975e+06 >>48 48 9.00641 2.89058 37AspH 39PheHbb None 1.63187e+07 >>49 49 9.00633 2.69776 37AspH 39PheHba None 3.24903e+07 >>50 50 9.00594 2.18904 37AspH 36ArgHbb None 2.14202e+07 >>51 51 9.00324 1.80354 44ThrH 4GluHba None 7.38584e+06 >>52 52 9.00440 1.71526 44ThrH 31LeuHg None 6.85131e+06 >>53 53 9.02160 1.12466 44ThrH 44ThrHg2* None 6.75836e+06 >>54 54 9.00723 0.94680 (37Asp/44Thr)H (30Leu/15Ile)(Hdb*/Hg2*) None 3.52558e+06 >>55 55 8.95629 2.74739 5AsnH 5AsnHbb None 3.40363e+06 >>56 56 8.86478 4.69051 26AsnH (29His/27Asn)Ha None 4.78696e+06 >>57 57 8.86085 5.33371 34ArgH 33GlyHab None 1.34073e+07 >>58 58 8.86702 4.85008 34ArgH 34ArgHa None 1.25130e+07 >>59 59 8.89709 4.46635 26AsnH 26AsnHa None 8.10252e+06 >>60 60 8.88682 4.28156 26AsnH 25ArgHa None 4.41484e+06 >>61 61 8.89214 3.92514 26AsnH 22LysHa None 3.23647e+06 >>62 62 8.89359 7.97795 26AsnH 27AsnH None 1.17564e+07 >>63 63 8.89523 7.83708 26AsnH 25ArgH None 9.28323e+06 >>64 64 8.89321 2.85571 26AsnH 26AsnHbb None 1.79255e+07 >>65 65 8.89676 2.72115 26AsnH 26AsnHba None 6.88614e+06 >>66 66 8.86567 2.04042 34ArgH 34ArgHbb None 1.00595e+07 >>67 67 8.86714 1.63444 26AsnH 22LysHgb None 2.15780e+07 >>68 68 8.89242 1.80725 26AsnH 25ArgHbb None 6.98959e+06 >>69 69 8.89510 1.54763 34ArgH 34ArgHga None 1.20751e+07 >>70 70 8.89868 1.48529 26AsnH 25ArgHba None 3.72997e+06 >>71 71 8.86411 4.09819 (35Cys/34Arg)H (33Gly/35Cys)Ha* None 8.20181e+06 >>72 72 8.72686 2.07362 4GluH 4GluHbb None 1.42386e+07 >>73 73 8.64447 0.47102 7SerH 6LeuHg None 3.96815e+06 >>74 74 8.63982 0.07788 7SerH 6LeuHda* None 4.97146e+06 >>75 75 8.64106 0.94706 30LeuH 30LeuHda* None 1.39724e+07 >>76 76 8.64044 1.44387 30LeuH 30LeuHba None 1.59960e+07 >>77 77 8.64132 1.75243 30LeuH 30LeuHg None 1.95263e+07 >>78 78 8.72464 1.98640 None 22LysHb* None 7.72866e+06 >>79 79 8.63795 1.92227 30LeuH 30LeuHbb None 6.32130e+06 >>80 80 8.72692 1.81101 4GluH 4GluHba None 1.09163e+07 >>81 81 8.64399 2.22267 30LeuH 28GluHb3 None 4.08826e+06 >>82 82 8.63911 3.53126 7SerH 7SerHba None 1.25961e+07 >>83 83 8.63915 3.06583 7SerH 6LeuHa None 3.80051e+07 >>84 84 8.64185 4.65398 30LeuH 29HisHa None 1.43086e+07 >>85 85 8.64081 4.48337 7SerH 7SerHa None 7.62288e+06 >>86 86 8.64141 4.27397 30LeuH 25ArgHa None 1.99173e+07 >>87 87 8.63767 4.11279 7SerH 7SerHbb None 1.15570e+07 >>88 88 8.64162 4.94792 30LeuH 30LeuHa None 1.23615e+07 >>89 89 8.64156 6.48878 30LeuH None None 1.39266e+07 >>90 90 8.72618 5.10060 4GluH 3CysHa None 5.47099e+07 >>91 91 8.76821 4.68525 36ArgH (40Arg/37Asp)Ha None 1.51071e+07 >>92 92 8.72730 2.92336 4GluH 3CysHbb None 1.06304e+07 >>93 93 8.23150 4.10710 20CysH 18GlyHaa None 5.44578e+06 >>94 94 8.36811 4.31538 20CysH 20CysHa None 5.55704e+06 >>95 95 8.36927 4.18203 20CysH 35CysHa None 1.75547e+07 >>96 96 8.36963 7.96214 20CysH 39PheH None 1.77691e+07 >>97 97 8.43538 4.17472 2ThrH 1LysHa None 3.89379e+07 >>98 98 8.42333 4.08019 2ThrH 2ThrHb None 5.75886e+06 >>99 99 8.41933 3.32950 40ArgH 36ArgHdb None 3.63852e+06 >>100 100 8.41942 3.22232 40ArgH 36ArgHda None 6.46502e+06 >>101 101 8.41535 3.15564 20CysH 21AsnHbb None 7.73970e+06 >>102 102 8.41982 2.89383 40ArgH 39PheHbb None 1.52152e+07 >>103 103 8.41200 2.80734 40ArgH (10Phe/21Asn)Hb* None 7.99812e+06 >>104 104 8.41821 2.69913 40ArgH 39PheHba None 7.31073e+06 >>105 105 8.42658 1.97919 2ThrH 1LysHb2 None 1.05249e+07 >>106 106 8.43085 1.51230 2ThrH 1LysHg* None 1.11322e+07 >>107 107 8.42878 1.04344 2ThrH 2ThrHg2* None 1.30215e+07 >>108 108 8.41662 4.66399 40ArgH 40ArgHa None 1.21255e+07 >>109 109 8.42144 5.35156 2ThrH 2ThrHa None 2.54619e+07 >>110 110 8.41988 5.08280 40ArgH 39PheHa None 8.13675e+07 >>111 111 8.42734 8.71962 2ThrH 4GluH None 4.98104e+06 >>112 112 8.12393 3.06560 6LeuH 6LeuHa None 1.15573e+07 >>113 113 8.12381 2.74937 6LeuH 5AsnHbb None 2.12318e+07 >>114 114 8.12345 2.47513 6LeuH 5AsnHba None 8.35261e+06 >>115 115 8.12321 0.93939 6LeuH 6LeuHbb None 1.68300e+07 >>116 116 8.12446 0.74347 6LeuH 6LeuHba None 2.64150e+07 >>117 117 8.12430 0.47075 6LeuH 6LeuHg None 5.47911e+06 >>118 118 8.12434 0.25822 6LeuH 6LeuHdb* None 1.82987e+07 >>119 119 8.12343 0.07560 6LeuH 6LeuHda* None 3.04130e+06 >>120 120 8.12363 5.26696 6LeuH 5AsnHa None 4.18637e+07 >>121 121 8.12285 6.95358 6LeuH 5AsnHd2a None 2.63297e+06 >>122 122 8.10343 7.06864 6LeuH 42TrpHz3 None 1.88124e+07 >>123 123 8.12509 7.12638 6LeuH 42TrpHz3 None 5.81282e+06 >>124 124 8.18474 7.56908 31LeuH (45Asn/32Ser)(Hd2b/H) None 1.80925e+07 >>125 125 8.18557 5.11268 31LeuH 45AsnHa None 1.30922e+07 >>126 126 8.18395 4.94574 31LeuH 30LeuHa None 1.65277e+07 >>127 127 8.22788 4.40713 12GlyH 11LysHa None 2.62918e+07 >>128 128 8.18473 4.18502 31LeuH 31LeuHa None 1.32066e+07 >>129 129 8.18418 1.92428 31LeuH 30LeuHbb None 4.26739e+07 >>130 130 8.18345 1.71448 31LeuH 31LeuHg None 2.62507e+07 >>131 131 8.18470 1.62286 31LeuH 31LeuHbb None 2.30620e+07 >>132 132 8.18400 1.43603 31LeuH 31LeuHba None 2.64973e+07 >>133 133 8.18399 0.94919 31LeuH 30LeuHdb* None 1.04357e+07 >>134 134 8.18412 0.86933 31LeuH 31LeuHdb* None 5.82930e+06 >>135 135 8.18651 0.78920 31LeuH 31LeuHda* None 4.59304e+06 >>136 136 7.96473 4.69067 27AsnH 27AsnHa None 1.08086e+07 >>137 137 7.96715 4.46518 27AsnH 26AsnHa None 2.89680e+06 >>138 138 7.96532 4.28973 27AsnH (28Glu/25Arg)Ha None 1.04972e+07 >>139 139 7.94657 2.64432 39PheH 38AspHb3 None 6.34613e+06 >>140 140 7.95111 8.38262 39PheH 20CysH None 1.25680e+07 >>141 141 7.96490 2.85782 27AsnH 26AsnHbb None 1.01660e+07 >>142 142 7.96557 2.71796 27AsnH 26AsnHba None 4.46064e+06 >>143 143 7.96433 2.47189 27AsnH 27AsnHbb None 1.00754e+07 >>144 144 7.96439 2.20250 39PheH 36ArgHbb None 2.11206e+07 >>145 145 7.76900 6.78935 21AsnHd2b 21AsnHd2a None 1.28530e+08 >>146 146 6.77924 2.80848 10PheHd* 10PheHbb None 9.62601e+06 >>147 147 6.77732 7.78283 21AsnHd2a 21AsnHd2b None 1.37654e+08 >>148 148 8.42105 9.06837 2ThrH 3CysH None 4.87720e+06 >>149 149 7.96824 6.49154 27AsnH None None 4.22680e+06 >>150 150 7.92345 7.03323 27AsnH 28GluH None 1.01434e+08 >>151 151 7.96507 8.90800 27AsnH 26AsnH None 1.62644e+07 >>152 152 7.76350 1.15638 9ThrH 9ThrHg2* None 1.66998e+07 >>153 153 7.82294 1.54669 10PheH 11LysHd2 None 1.71716e+07 >>154 154 7.82151 1.49320 10PheH 11LysHba None 2.04252e+07 >>155 155 7.79901 2.42421 11LysH 10PheHba None 6.39933e+06 >>156 156 7.82719 2.62608 25ArgH 24CysHbb None 6.52703e+06 >>157 157 7.82708 1.80686 25ArgH 25ArgHbb None 8.85832e+06 >>158 158 7.80165 2.75438 25ArgH 26AsnHba None 5.81932e+06 >>159 159 7.76935 2.80703 21AsnHd2b 21AsnHba None 1.96341e+07 >>160 160 7.77035 3.14956 21AsnHd2b 21AsnHbb None 7.35173e+06 >>161 161 7.82516 3.92440 10PheH 8GlyHaa None 4.08865e+06 >>162 162 7.75846 3.88682 9ThrH 8GlyHaa None 5.82262e+06 >>163 163 7.82651 4.27689 27AsnHd2b (28Glu/25Arg)Ha None 9.17635e+06 >>164 164 7.76480 4.52845 9ThrH 9ThrHa None 1.36415e+07 >>165 165 7.82509 9.17738 27AsnHd2b 24CysH None 4.99219e+06 >>166 166 7.82512 8.90567 27AsnHd2b 26AsnH None 1.08096e+07 >>167 167 7.72332 5.26571 5AsnHd2b 5AsnHa None 2.49227e+06 >>168 168 7.70906 4.40376 11LysH 11LysHa None 4.55737e+06 >>169 169 7.72147 6.93418 19AsnHd2b 39PheHd* None 1.68554e+08 >>170 170 7.69428 3.92624 22LysH 22LysHa None 7.14576e+06 >>171 171 7.71612 3.36248 19AsnHd2b 36ArgHdb None 1.12485e+07 >>172 172 7.71892 2.75187 5AsnHd2b 5AsnHbb None 8.91976e+06 >>173 173 7.72036 2.47435 5AsnHd2b 5AsnHba None 6.54024e+06 >>174 174 7.68837 2.81144 22LysH 21AsnHba None 6.43883e+06 >>175 175 7.69089 1.98609 22LysH 22LysHb* None 1.71146e+07 >>176 176 7.70865 1.48909 22LysH 22LysHga None 8.02291e+06 >>177 177 7.71871 7.13127 19AsnHd2b 19AsnHd2a None 8.86349e+07 >>178 178 7.67131 4.48056 26AsnHd2b 26AsnHa None 9.31371e+06 >>179 179 7.55328 4.18127 32SerH 31LeuHa None 5.33393e+06 >>180 180 7.55639 4.05739 32SerH 44ThrHb None 9.57084e+06 >>181 181 7.55563 4.56539 32SerH 32SerHa None 1.17230e+07 >>182 182 7.61537 7.02179 26AsnHd2b 26AsnHd2a None 2.51653e+08 >>183 183 7.57615 7.08044 45AsnHd2b 45AsnHd2a None 2.32632e+08 >>184 184 7.55619 8.19687 32SerH 31LeuH None 2.45630e+07 >>185 185 7.61595 9.01946 26AsnHd2b 33GlyH None 4.61805e+06 >>186 186 7.55552 9.04048 32SerH 33GlyH None 1.20393e+07 >>187 187 7.61562 2.89349 26AsnHd2b 26AsnHbb None 8.45805e+06 >>188 188 7.57636 2.85128 26AsnHd2b 26AsnHbb None 1.44654e+07 >>189 189 7.55464 0.86927 32SerH 31LeuHdb* None 3.35794e+06 >>190 190 7.61655 0.87087 45AsnHd2b 31LeuHdb* None 6.13914e+06 >>191 191 7.55413 0.78518 32SerH 31LeuHda* None 3.83228e+06 >>192 192 7.61596 0.78608 (32Ser/45Asn)H 31LeuHda* None 4.27715e+06 >>193 193 7.55551 1.42807 32SerH 31LeuHba None 1.28642e+07 >>194 194 7.55480 1.12482 32SerH 44ThrHg2* None 3.52628e+06 >>195 195 7.57749 1.48132 45AsnHd2b 30LeuHba None 4.88148e+06 >>196 196 7.57557 1.98906 45AsnHd2b 28GluHg* None 5.77447e+06 >>197 197 7.55912 1.93030 32SerH 30LeuHbb None 4.92812e+06 >>198 198 7.55950 1.70664 32SerH 31LeuHg None 3.81633e+06 >>199 199 7.55909 1.62628 32SerH 31LeuHbb None 2.12707e+07 >>200 200 7.67306 2.20303 19AsnHd2b 36ArgHbb None 4.72622e+06 >>201 201 7.57505 2.72290 45AsnHd2b 45AsnHba None 1.23478e+07 >>202 202 7.61576 2.69807 26AsnHd2b 26AsnHba None 2.36571e+07 >>203 203 7.55863 2.55410 32SerH 24CysHbb None 1.64754e+06 >>204 204 7.67064 2.46971 5AsnHd2b 5AsnHba None 9.54328e+06 >>205 205 7.57762 3.92384 26AsnHd2b 22LysHa None 3.15096e+06 >>206 206 7.11057 2.29151 42TrpHz3 (4Glu/11Lys)(Hgb/Hd3) None 3.86349e+06 >>207 207 7.11428 2.87258 42TrpHz3 42TrpHb3 None 2.05734e+06 >>208 208 7.11388 5.26640 42TrpHz3 5AsnHa None 2.92552e+07 >>209 209 7.11058 6.95517 42TrpHz3 42TrpHe3 None 5.45011e+07 >>210 210 7.11672 7.49326 42TrpHz3 42TrpHz2 None 1.37990e+07 >>211 211 7.11754 7.73180 19AsnHd2a 19AsnHd2b None 1.14710e+08 >>212 212 7.11124 8.13442 42TrpHz3 6LeuH None 7.10456e+06 >>213 213 7.40231 2.94107 42TrpHd1 42TrpHb2 None 5.08195e+06 >>214 214 7.48317 7.13282 42TrpHz2 42TrpHz3 None 6.38420e+06 >>215 215 7.48373 7.19640 42TrpHz2 42TrpHh2 None 5.17944e+07 >>216 216 7.40310 9.00853 42TrpHd1 (5Asn/44Thr)H None 5.18369e+06 >>217 217 7.00832 0.87091 45AsnHd2a 31LeuHdb* None 1.09053e+07 >>218 218 7.00906 0.78540 45AsnHd2a 31LeuHda* None 7.17626e+06 >>219 219 7.11975 3.36448 19AsnHd2a 36ArgHdb None 4.25057e+06 >>220 220 7.05785 8.11650 42TrpHz3 6LeuH None 2.24781e+07 >>221 221 7.06670 7.58844 45AsnHd2a 45AsnHd2b None 2.33496e+08 >>222 222 7.02148 4.28321 28GluH 28GluHa None 7.05021e+06 >>223 223 7.06589 3.92218 26AsnHd2a 22LysHa None 3.77323e+06 >>224 224 7.06688 2.85750 45AsnHd2a 46ArgHda None 6.57735e+06 >>225 225 7.06784 2.72291 45AsnHd2a 45AsnHba None 5.77471e+06 >>226 226 7.02502 2.01665 28GluH 28GluHg* None 9.34011e+06 >>227 227 7.02068 2.20454 28GluH 28GluHb3 None 8.61133e+06 >>228 228 7.02141 2.46893 28GluH 27AsnHbb None 5.92549e+06 >>229 229 7.00877 2.89584 26AsnHd2a 26AsnHbb None 3.39385e+06 >>230 230 7.00717 2.69736 26AsnHd2a 26AsnHba None 7.34980e+06 >>231 231 7.02486 3.59896 28GluH 29HisHb* None 3.46212e+06 >>232 232 7.02668 4.10227 28GluH 24CysHa None 9.69750e+06 >>233 233 6.97470 6.48714 28GluH None None 1.76140e+07 >>234 234 7.18028 7.49283 42TrpHh2 42TrpHz2 None 5.08324e+07 >>235 235 7.17684 6.95905 19AsnHd2a 39PheHd* None 6.31617e+06 >>236 236 6.95059 7.13125 42TrpHe3 42TrpHz3 None 7.15811e+07 >>237 237 7.00973 7.63309 26AsnHd2a 26AsnHd2b None 2.36195e+08 >>238 238 7.02696 9.18229 28GluH 24CysH None 3.57170e+06 >>239 239 6.94151 8.97054 5AsnHd2a 5AsnH None 7.03039e+06 >>240 240 6.94178 8.13655 42TrpHe3 6LeuH None 4.62981e+06 >>241 241 6.97490 7.97651 39PheHd* 39PheH None 2.62264e+07 >>242 242 6.92020 7.41877 42TrpHe3 42TrpHd1 None 4.13158e+07 >>243 243 6.94232 5.26616 42TrpHe3 5AsnHa None 2.97098e+07 >>244 244 6.91992 5.06933 39PheHd* 39PheHa None 8.20299e+06 >>245 245 6.97762 4.09857 27AsnHd2a 24CysHa None 3.93985e+06 >>246 246 6.91905 3.47272 5AsnHd2a 10PheHa None 5.70381e+06 >>247 247 6.92127 3.37439 39PheHd* 36ArgHdb None 4.38501e+06 >>248 248 6.94120 2.93801 42TrpHe3 42TrpHb2 None 1.28784e+07 >>249 249 6.94178 2.86934 (39Phe/42Trp)(Hd*/He3) (42Trp/39Phe)Hb* None 2.87201e+07 >>250 250 6.91943 2.75055 5AsnHd2a 5AsnHbb None 1.18962e+07 >>251 251 6.93174 3.06218 5AsnHd2a 6LeuHa None 3.38514e+06 >>252 252 6.92103 2.99819 (42Trp/39Phe)(He3/Hd*) (14Cys/1Lys)(Hba/He*) None 1.11250e+07 >>253 253 6.92162 2.47338 5AsnHd2a 5AsnHba None 7.13387e+06 >>254 254 6.97421 2.47394 42TrpHe3 5AsnHba None 7.20322e+06 >>255 255 6.94224 2.28704 42TrpHe3 4GluHgb None 3.54431e+07 >>256 256 6.94498 2.20934 39PheHd* 36ArgHbb None 1.68587e+07 >>257 257 6.94263 2.07310 42TrpHe3 4GluHbb None 1.27386e+07 >>258 258 6.97416 2.01112 42TrpHe3 (34Arg/11Lys)(Hbb/Hd3) None 1.18852e+07 >>259 259 6.94022 1.81313 39PheHd* 36Arg(Hba/Hgb) None 4.25792e+06 >>260 260 6.80929 2.04240 10PheHd* 11LysHd3 None 7.06988e+06 >>261 261 6.80855 2.41840 10PheHd* 10PheHba None 1.64649e+07 >>262 262 6.80969 2.75422 10PheHd* 10PheHbb None 2.31011e+07 >>263 263 6.78525 2.63276 21AsnHd2a 20CysHba None 3.60304e+06 >>264 264 6.80776 3.47224 10PheHd* 10PheHa None 7.65576e+06 >>265 265 6.81046 3.36674 19AsnH 36ArgHdb None 6.45087e+06 >>266 266 6.81003 4.32852 19AsnH (18Gly/19Asn)Ha* None 6.67256e+06 >>267 267 6.80797 1.62295 10PheHd* 11LysHbb None 6.41919e+06 >>268 268 6.81291 6.93658 10PheHd* 5AsnHd2a None 1.33845e+08 >>269 269 6.81042 7.41965 10PheHd* 42TrpHd1 None 7.27881e+06 >>270 270 6.77063 7.51167 10PheHd* 42TrpHz2 None 5.53478e+06 >>271 271 6.81690 8.88460 21AsnHd2a (35Cys/34Arg)H None 1.85638e+06 >>272 272 6.47474 8.65497 None 30LeuH None 1.41337e+07 >>273 273 6.47370 7.97676 None 27AsnH None 4.54861e+06 >>274 274 6.47430 6.98793 None 28GluH None 2.57382e+07 >>275 275 6.47566 4.27570 None 25ArgHa None 1.11776e+07 >>276 276 6.47452 4.65810 None 29HisHa None 5.23752e+07 >>277 277 6.47281 2.21823 None 28GluHb3 None 5.03618e+06 >>278 278 8.73201 5.53014 4GluH 4GluHa None 7.88917e+06 >>279 279 9.16618 3.59007 24CysH 29HisHb2 None 3.26411e+06 >>280 280 9.16750 2.55071 24CysH 24CysHb* None 4.54237e+06 >>281 281 8.73033 2.74825 4GluH 3CysHba None 3.92169e+06 >>282 282 8.23290 3.87079 12GlyH 12GlyHaa None 5.32498e+06 >>283 283 0.06417 0.94088 6LeuHda* 6LeuHbb None 1.46934e+07 >>284 284 0.73417 3.06498 6LeuHba 6LeuHa None 6.15055e+06 >>285 285 4.46719 9.78439 7SerHa 8GlyH None 1.32972e+07 >>286 286 4.06912 9.78488 8GlyHab 8GlyH None 5.71060e+06 >>287 287 3.89391 9.78301 8GlyHaa 8GlyH None 9.09790e+06 >>288 288 7.76157 9.78624 9ThrH 8GlyH None 9.60817e+06 >>289 289 5.94374 5.33312 43CysHa 33GlyHab None 1.73836e+07 >>290 290 5.94092 4.08737 43CysHa 33GlyHaa None 1.10784e+07 >>291 291 5.94131 3.24616 43CysHa 43CysHbb None 1.65556e+07 >>292 292 5.94374 2.94705 43CysHa 43CysHba None 9.56821e+06 >>293 293 5.94263 9.15935 43CysHa 43CysH None 6.72822e+06 >>294 294 5.94260 9.03932 43CysHa (33Gly/44Thr)H None 3.20173e+07 >>295 295 5.51707 5.27128 4GluHa 44ThrHa None 2.47339e+07 >>296 296 5.51772 2.29195 4GluHa 4GluHgb None 4.91509e+06 >>297 297 5.51580 2.20841 4GluHa 4GluHga None 9.28436e+06 >>298 298 5.51726 2.07472 4GluHa 4GluHbb None 8.60387e+06 >>299 299 5.51211 1.81010 4GluHa 4GluHba None 1.35663e+07 >>300 300 5.51460 8.97172 4GluHa 5AsnH None 3.18725e+07 >>301 301 5.52411 9.26169 4GluHa 45AsnH None 4.30642e+06 >>302 302 5.25177 2.74945 5AsnHa 5AsnHbb None 2.41012e+07 >>303 303 5.24554 2.47543 5AsnHa 5AsnHba None 1.11148e+07 >>304 304 5.25755 2.20091 44ThrHa 4GluHga None 4.79213e+06 >>305 305 5.25483 1.81277 44ThrHa 4GluHba None 5.79972e+06 >>306 306 5.34042 1.12435 2ThrHa 44ThrHg2* None 1.02720e+07 >>307 307 5.33928 1.04326 2ThrHa 2ThrHg2* None 4.90322e+07 >>308 308 5.34322 0.79444 2ThrHa 31LeuHda* None 4.33810e+06 >>309 309 5.09849 2.18868 36ArgHa 36ArgHbb None 2.08883e+07 >>310 310 5.25909 4.06517 44ThrHa 44ThrHb None 1.59969e+07 >>311 311 5.33809 4.08554 2ThrHa 2ThrHb None 7.26488e+07 >>312 312 5.33915 5.08371 2ThrHa 3CysHa None 3.91275e+07 >>313 313 5.32423 5.95824 33GlyHab 43CysHa None 1.44712e+07 >>314 314 5.33904 8.43525 2ThrHa 2ThrH None 2.30021e+07 >>315 315 5.33269 8.87513 33GlyHab 34ArgH None 7.88207e+06 >>316 316 5.33951 9.06985 (33Gly/2Thr)Ha* (3Cys/33Gly)H None 6.68586e+07 >>317 317 5.25863 9.26165 44ThrHa 45AsnH None 5.87769e+07 >>318 318 5.25655 9.04051 44ThrHa 44ThrH None 9.02188e+06 >>319 319 5.25602 8.97179 5AsnHa 5AsnH None 1.25458e+07 >>320 320 5.25303 8.13546 5AsnHa 6LeuH None 4.10620e+07 >>321 321 5.25583 7.72970 5AsnHa 5AsnHd2b None 4.59698e+06 >>322 322 5.25194 7.12792 5AsnHa 42TrpHz3 None 2.43017e+07 >>323 323 5.25340 6.95255 5AsnHa 5AsnHd2a None 2.33825e+07 >>324 324 5.25808 5.52975 44ThrHa 4GluHa None 3.80327e+07 >>325 325 5.25912 1.12450 44ThrHa 44ThrHg2* None 3.46713e+07 >>326 326 5.11084 9.26374 45AsnHa 45AsnH None 5.66657e+06 >>327 327 5.07265 9.07023 3CysHa 3CysH None 7.51702e+06 >>328 328 5.09855 9.02071 36ArgHa 37AspH None 3.05589e+07 >>329 329 5.08769 8.74026 3CysHa 4GluH None 2.87026e+07 >>330 330 5.07058 8.43188 39PheHa 40ArgH None 3.09286e+07 >>331 331 5.09872 8.19689 45AsnHa 31LeuH None 6.32734e+06 >>332 332 5.07062 5.35236 3CysHa 2ThrHa None 1.69002e+07 >>333 333 5.08873 2.74995 (3Cys/45Asn)Ha (3Cys/45Asn)Hba None 6.92812e+06 >>334 334 5.07972 2.90781 (39Phe/3Cys)Ha (3Cys/39Phe)Hbb None 1.66486e+07 >>335 335 5.09881 1.92481 45AsnHa 30LeuHbb None 5.73557e+06 >>336 336 5.09831 1.79555 36ArgHa 36Arg(Hgb/Hba) None 1.97483e+07 >>337 337 5.09846 1.71494 45AsnHa 46ArgHba None 2.16039e+07 >>338 338 5.09550 1.62679 45AsnHa 46ArgHgb None 6.93553e+06 >>339 339 5.07170 1.04242 45AsnHa 2ThrHg2* None 1.36811e+07 >>340 340 5.09724 0.94545 45AsnHa 30LeuHd* None 1.10475e+07 >>341 341 5.09903 0.87551 36ArgHa 15IleHd1* None 7.41009e+06 >>342 342 5.10343 0.79042 45AsnHa 31LeuHda* None 1.20898e+07 >>343 343 4.55141 1.49486 32SerHa 25ArgHg* None 3.87127e+06 >>344 344 4.51175 1.15674 9ThrHa 9ThrHg2* None 1.94126e+07 >>345 345 4.55218 4.12364 32SerHa 32SerHbb None 5.51772e+06 >>346 346 4.55109 3.99420 32SerHa 32SerHba None 1.08700e+07 >>347 347 4.50994 7.77462 9ThrHa 9ThrH None 7.93493e+06 >>348 348 4.55157 9.05802 32SerHa 33GlyH None 7.54873e+06 >>349 349 4.46490 1.15755 9ThrHb 9ThrHg2* None 5.17017e+07 >>350 350 4.45542 2.85655 26AsnHa 26AsnHbb None 1.64304e+07 >>351 351 4.45547 2.72122 26AsnHa 26AsnHba None 2.47771e+07 >>352 352 4.46712 4.11923 7SerHa 7SerHbb None 3.46122e+06 >>353 353 4.46499 7.69072 7SerHa 5AsnHd2b None 4.36356e+06 >>354 354 4.44655 8.91044 26AsnHa 26AsnH None 7.00793e+06 >>355 355 4.47161 8.65468 7SerHa 7SerH None 4.74040e+06 >>356 356 4.39097 8.24309 11LysHa 12GlyH None 2.43619e+07 >>357 357 4.39262 7.72489 11LysHa 11LysH None 5.97391e+06 >>358 358 4.39221 1.59231 11LysHa 11LysHbb None 1.96037e+07 >>359 359 4.39565 1.49673 11LysHa 11LysHba None 7.54437e+06 >>360 360 4.38981 1.34313 11LysHa 11LysHgb None 4.30828e+06 >>361 361 4.39042 1.24717 11LysHa 11LysHga None 6.93180e+06 >>362 362 4.28387 8.73184 20CysHa None None 6.65170e+06 >>363 363 4.26242 8.65347 25ArgHa 30LeuH None 2.03664e+07 >>364 364 4.30596 8.38264 20CysHa 20CysH None 5.88638e+06 >>365 365 0.06652 8.13292 6LeuHda* 6LeuH None 4.58089e+06 >>366 366 0.06498 3.06560 6LeuHda* 6LeuHa None 1.31721e+07 >>367 367 0.06513 2.01555 6LeuHda* 34ArgHbb None 7.91046e+06 >>368 368 0.06509 1.65450 6LeuHda* (34Arg/41Cys)Hba None 1.41666e+07 >>369 369 0.06489 0.73811 6LeuHda* 6LeuHba None 6.74163e+06 >>370 370 0.06548 0.46878 6LeuHda* 6LeuHg None 4.07884e+07 >>371 371 0.06963 0.25802 6LeuHda* 6LeuHdb* None 4.23451e+07 >>372 372 1.99815 0.08168 34ArgHbb 6LeuHda* None 7.56699e+06 >>373 373 1.63847 0.07509 34ArgHba 6LeuHda* None 1.28473e+07 >>374 374 1.55311 0.07459 11LysHd2 6LeuHda* None 4.35110e+06 >>375 375 0.92229 0.07757 6LeuHbb 6LeuHda* None 1.11498e+07 >>376 376 0.73008 0.07849 6LeuHba 6LeuHda* None 4.15616e+06 >>377 377 0.45632 0.07660 6LeuHg 6LeuHda* None 4.76183e+07 >>378 378 0.23915 0.07803 6LeuHdb* 6LeuHda* None 3.41344e+07 >>379 379 0.24986 0.46770 6LeuHdb* 6LeuHg None 3.42761e+07 >>380 380 0.24936 0.74440 6LeuHdb* 6LeuHba None 6.22701e+06 >>381 381 0.24626 0.93561 6LeuHdb* 6LeuHbb None 2.89746e+06 >>382 382 0.24704 8.13773 6LeuHdb* 6LeuH None 8.77945e+06 >>383 383 0.45259 0.25989 6LeuHg 6LeuHdb* None 4.55896e+07 >>384 384 0.45701 0.94057 6LeuHg 6LeuHbb None 1.50781e+07 >>385 385 0.45755 0.74068 6LeuHg 6LeuHba None 1.64880e+07 >>386 386 0.45716 1.65570 6LeuHg (41Cys/34Arg)Hba None 7.31875e+06 >>387 387 0.45766 3.13031 6LeuHg 34ArgHda None 3.51855e+06 >>388 388 0.45624 3.06751 6LeuHg 6LeuHa None 6.20088e+06 >>389 389 0.45600 7.49211 6LeuHg 42TrpHz2 None 3.08388e+06 >>390 390 0.45524 8.13998 6LeuHg 6LeuH None 4.50455e+06 >>391 391 0.45271 8.64997 6LeuHg 7SerH None 3.12472e+06 >>392 392 0.72975 0.46827 6LeuHba 6LeuHg None 9.05045e+06 >>393 393 0.72722 0.26233 6LeuHba 6LeuHdb* None 7.38778e+06 >>394 394 0.77733 0.87357 31LeuHda* 31LeuHdb* None 9.49792e+07 >>395 395 0.77441 1.12471 31LeuHda* 44ThrHg2* None 3.60020e+07 >>396 396 0.77468 1.04294 31LeuHda* 2ThrHg2* None 4.31351e+07 >>397 397 0.78005 1.71305 31LeuHda* 31LeuHg None 4.38439e+07 >>398 398 0.77887 1.62613 31LeuHda* 31LeuHbb None 3.18847e+07 >>399 399 0.77459 1.42680 31LeuHda* 31LeuHba None 3.05412e+07 >>400 400 0.73536 0.94023 6LeuHba 6LeuHbb None 7.08090e+07 >>401 401 0.77379 1.92068 31LeuHda* 30LeuHbb None 2.65095e+07 >>402 402 0.77574 1.80381 31LeuHda* 4GluHba None 5.13624e+06 >>403 403 0.77599 5.10595 31LeuHda* 45AsnHa None 1.32084e+07 >>404 404 0.77718 4.18694 31LeuHda* 31LeuHa None 6.65497e+06 >>405 405 0.77446 4.07861 31LeuHda* 44ThrHb None 6.19578e+06 >>406 406 0.77449 9.01771 31LeuHda* 44ThrH None 8.20425e+06 >>407 407 0.77815 8.19723 31LeuHda* 31LeuH None 2.66037e+06 >>408 408 0.73339 8.13681 6LeuHba 6LeuH None 1.02000e+07 >>409 409 0.77620 7.02074 31LeuHda* 45AsnHd2a None 4.74957e+06 >>410 410 1.03059 0.78694 2ThrHg2* 31LeuHda* None 4.17070e+07 >>411 411 1.02756 1.28054 2ThrHg2* 46ArgHga None 2.41163e+07 >>412 412 1.03811 1.91932 2ThrHg2* 46ArgHbb None 6.91223e+06 >>413 413 1.03001 4.17470 2ThrHg2* 1LysHa None 5.58962e+06 >>414 414 1.02893 4.08314 2ThrHg2* 2ThrHb None 5.13842e+07 >>415 415 1.03165 4.58866 2ThrHg2* 32SerHa None 6.40071e+06 >>416 416 1.02995 5.35081 2ThrHg2* 2ThrHa None 3.22913e+07 >>417 417 1.03046 5.08370 2ThrHg2* 45AsnHa None 1.67767e+07 >>418 418 1.03073 8.44431 2ThrHg2* 2ThrH None 8.92449e+06 >>419 419 0.85726 7.02216 31LeuHdb* 45AsnHd2a None 9.11107e+06 >>420 420 0.85812 7.62832 31LeuHdb* 45AsnHd2b None 5.08799e+06 >>421 421 0.94754 8.19627 30LeuHdb* 31LeuH None 5.10321e+06 >>422 422 0.92694 8.19576 30LeuHda* 31LeuH None 7.17682e+06 >>423 423 0.92262 8.13488 6LeuHbb 6LeuH None 9.65147e+06 >>424 424 0.86114 8.19595 31LeuHdb* 31LeuH None 5.00899e+06 >>425 425 0.92948 5.10836 30LeuHda* 45AsnHa None 1.00917e+07 >>426 426 0.85738 5.11024 31LeuHdb* 45AsnHa None 4.40716e+06 >>427 427 1.02972 9.07111 2ThrHg2* 3CysH None 7.14060e+06 >>428 428 0.85676 1.42561 31LeuHdb* 31LeuHba None 2.55061e+07 >>429 429 0.85639 1.62630 31LeuHdb* 31LeuHbb None 9.61463e+06 >>430 430 0.86458 1.71660 31LeuHdb* 31LeuHg None 4.24695e+07 >>431 431 0.85899 0.78405 31LeuHdb* 31LeuHda* None 8.88465e+07 >>432 432 0.86514 9.02278 31LeuHdb* 44ThrH None 3.15258e+06 >>433 433 0.96754 1.19782 15IleHg2* 15IleHg1a None 2.04814e+07 >>434 434 0.88070 1.28424 15IleHd1* 15IleHg1b None 3.79823e+07 >>435 435 0.88150 1.19719 15IleHd1* 15IleHg1a None 4.21440e+07 >>436 436 0.88553 2.08568 15IleHd1* 15IleHb None 1.74614e+07 >>437 437 0.88774 2.51753 15IleHd1* 17AspHba None 5.77689e+06 >>438 438 0.96921 2.08375 15IleHg2* 15IleHb None 3.39365e+07 >>439 439 0.91919 0.26438 6LeuHbb 6LeuHdb* None 3.80768e+06 >>440 440 0.95103 1.44338 30LeuHdb* 30LeuHba None 2.47311e+07 >>441 441 0.93218 1.43764 30LeuHda* 30LeuHba None 1.91373e+07 >>442 442 0.95139 1.92437 30LeuHdb* 30LeuHbb None 2.63319e+07 >>443 443 0.92872 1.92294 30LeuHda* 30LeuHbb None 3.05357e+07 >>444 444 0.95829 1.77002 30LeuHdb* 30LeuHg None 4.24723e+07 >>445 445 0.93353 1.76977 30LeuHda* 30LeuHg None 6.92372e+07 >>446 446 0.95666 2.29988 30LeuHda* 28GluHb2 None 1.32418e+07 >>447 447 0.95437 2.21625 30LeuHdb* 28GluHb3 None 1.46659e+07 >>448 448 0.92794 2.19073 6LeuHbb 11LysHd3 None 2.90915e+07 >>449 449 0.95221 3.24690 30LeuHdb* 43CysHbb None 2.48307e+07 >>450 450 0.92845 3.22098 30LeuHda* 43CysHbb None 1.54441e+07 >>451 451 0.92420 3.06285 6LeuHbb 6LeuHa None 9.31441e+06 >>452 452 0.95182 2.94995 30LeuHdb* 43CysHba None 2.08653e+07 >>453 453 0.92758 4.94416 30LeuHda* 30LeuHa None 6.07208e+07 >>454 454 0.95691 8.65689 30LeuHdb* 30LeuH None 3.47538e+06 >>455 455 0.93614 8.65848 30LeuHda* 30LeuH None 8.92625e+06 >>456 456 0.97386 9.01306 30LeuHdb* (44Thr/33Gly)H None 4.10036e+06 >>457 457 0.92913 9.01625 30LeuHda* (33Gly/44Thr)H None 5.41829e+06 >>458 458 0.92289 0.74140 6LeuHbb 6LeuHba None 6.69309e+07 >>459 459 0.92896 0.47041 6LeuHbb 6LeuHg None 1.17409e+07 >>460 460 1.11096 0.78720 44ThrHg2* 31LeuHda* None 3.19307e+07 >>461 461 1.11051 0.96750 44ThrHg2* 30LeuHdb* None 4.76817e+06 >>462 462 1.11600 1.62547 44ThrHg2* 31LeuHbb None 1.13650e+07 >>463 463 1.10940 1.42386 44ThrHg2* 31LeuHba None 7.17417e+06 >>464 464 1.10799 1.80691 44ThrHg2* 4GluHba None 3.95397e+06 >>465 465 1.14222 1.98097 9ThrHg2* 11LysHd3 None 4.21298e+06 >>466 466 1.14820 4.52940 9ThrHg2* 9ThrHa None 3.60875e+07 >>467 467 1.14599 4.48270 9ThrHg2* 9ThrHb None 6.25535e+07 >>468 468 1.11144 4.07325 44ThrHg2* 44ThrHb None 7.45593e+07 >>469 469 1.11244 5.10876 44ThrHg2* 45AsnHa None 4.29538e+06 >>470 470 1.11190 5.34967 44ThrHg2* 2ThrHa None 4.06812e+06 >>471 471 1.11172 5.27048 44ThrHg2* 44ThrHa None 2.23104e+07 >>472 472 1.14360 7.77378 9ThrHg2* 9ThrH None 1.11074e+07 >>473 473 1.11181 9.26091 44ThrHg2* 45AsnH None 1.78467e+07 >>474 474 1.11278 9.06895 44ThrHg2* 3CysH None 8.86676e+06 >>475 475 1.18601 9.00414 15IleHg1a 37AspH None 5.51600e+06 >>476 476 1.23545 4.40530 11LysHga 11LysHa None 4.85252e+06 >>477 477 1.24485 2.98403 46ArgHga 46ArgHdb None 5.04005e+06 >>478 478 1.25628 2.86091 46ArgHga 46ArgHda None 4.04156e+06 >>479 479 1.28640 2.08737 15IleHg1b 15IleHb None 4.58214e+06 >>480 480 1.19544 2.08150 15IleHg1a 15IleHb None 6.42114e+06 >>481 481 1.27189 1.91958 46ArgHga 46ArgHbb None 6.35086e+06 >>482 482 1.26570 1.79685 11LysHga 11LysHd3 None 6.47611e+06 >>483 483 1.25174 1.68476 46ArgHga 46ArgHba None 7.45115e+06 >>484 484 1.24287 1.61961 46ArgHga 46ArgHgb None 3.73840e+07 >>485 485 1.21354 1.56278 11LysHga 11LysHd2 None 1.56209e+07 >>486 486 1.23489 1.48922 11LysHga 11LysHba None 1.65792e+07 >>487 487 1.33909 1.57399 11LysHgb 11LysHd2 None 3.88142e+07 >>488 488 1.35935 1.85442 36ArgHga 36ArgHgb None 5.49641e+07 >>489 489 1.34703 1.79883 36ArgHga 36ArgHba None 2.16879e+07 >>490 490 1.33737 1.48986 11LysHgb 11LysHba None 3.09986e+07 >>491 491 1.30102 1.03822 46ArgHga 2ThrHg2* None 2.51792e+07 >>492 492 1.27350 0.98645 15IleHg1b 15IleHg2* None 7.97249e+06 >>493 493 1.18956 0.98347 15IleHg1a 15IleHg2* None 1.19586e+07 >>494 494 1.28378 0.90071 15IleHg1b 15IleHd1* None 2.50605e+07 >>495 495 1.19593 0.90191 15IleHg1a 15IleHd1* None 2.56169e+07 >>496 496 1.35049 2.18825 36ArgHga 36ArgHbb None 1.26149e+07 >>497 497 1.35374 9.26262 47CysHb2 45AsnH None 5.93792e+06 >>498 498 1.34251 5.11307 36ArgHga 36ArgHa None 3.89700e+06 >>499 499 1.35414 3.21576 36ArgHga 36ArgHda None 1.58476e+07 >>500 500 1.35161 2.74963 (36Arg/47Cys)(Hga/Hb2) (3Cys/20Cys)Hb* None 4.68098e+06 >>501 501 1.42183 1.12663 31LeuHba 44ThrHg2* None 4.58479e+06 >>502 502 1.42904 0.95963 30LeuHba 30LeuHdb* None 2.54215e+07 >>503 503 1.41612 0.87075 31LeuHba 31LeuHdb* None 1.82087e+07 >>504 504 1.41671 0.79139 31LeuHba 31LeuHda* None 2.13833e+07 >>505 505 1.41823 1.62543 30LeuHba 31LeuHbb None 1.00735e+08 >>506 506 1.43357 1.77100 31LeuHba 4GluHba None 1.72064e+07 >>507 507 1.42967 1.92400 31LeuHba 30LeuHbb None 7.72257e+07 >>508 508 1.42867 2.54651 30LeuHba 24CysHba None 5.48764e+06 >>509 509 1.41669 4.18468 30LeuHba 31LeuHa None 2.04551e+07 >>510 510 1.42443 4.94390 31LeuHba 30LeuHa None 1.19132e+07 >>511 511 1.42363 7.56922 30LeuHba (45Asn/32Ser)(Hd2b/H) None 7.53864e+06 >>512 512 1.42790 8.19658 31LeuHba 31LeuH None 1.73256e+07 >>513 513 1.42846 8.65406 30LeuHba 30LeuH None 1.08105e+07 >>514 514 1.63786 3.13550 34Arg(Hgb/Hba) 34ArgHda None 1.26860e+07 >>515 515 1.53558 3.13520 34ArgHga 34ArgHda None 8.26104e+06 >>516 516 1.52930 3.92110 25ArgHba 22LysHa None 5.68017e+06 >>517 517 1.47876 3.92519 (25Arg/22Lys)Hg* (21Asn/22Lys)Ha None 1.03670e+07 >>518 518 1.47953 4.27472 25ArgHg2 25ArgHa None 1.94825e+07 >>519 519 1.49754 4.17697 1LysHg* 1LysHa None 1.08632e+07 >>520 520 1.49100 4.40217 11LysHba 11LysHa None 7.36366e+06 >>521 521 1.47975 4.56523 25ArgHg* 32SerHa None 1.19537e+07 >>522 522 1.52639 4.27414 25ArgHba 25ArgHa None 1.02240e+07 >>523 523 1.53158 7.83586 25ArgHba 25ArgH None 8.82841e+06 >>524 524 1.48402 7.83746 25ArgHg2 25ArgH None 1.59475e+07 >>525 525 1.48754 8.91538 25ArgHg2 26AsnH None 5.90126e+06 >>526 526 1.53402 8.90397 25ArgHba 26AsnH None 7.64946e+06 >>527 527 1.54847 1.34729 11LysHd2 11LysHgb None 3.56965e+07 >>528 528 1.47303 1.34849 11LysHba 11LysHgb None 3.10875e+07 >>529 529 1.47901 1.25305 11LysHba 11LysHg* None 1.45154e+07 >>530 530 1.56484 1.24891 11LysHd2 11LysHga None 2.40703e+07 >>531 531 1.52964 1.65694 34ArgHga 34ArgHgb None 1.15088e+08 >>532 532 1.48256 1.60201 11LysHba 11LysHbb None 1.86092e+08 >>533 533 1.47920 1.80938 25ArgHg* 25ArgHbb None 5.73909e+07 >>534 534 1.49020 1.97881 (1Lys/22Lys)Hg* (1Lys/22Lys)Hb* None 4.68913e+07 >>535 535 1.50685 1.72042 (1Lys/22Lys)Hg* (22Lys/1Lys)Hd* None 8.76474e+07 >>536 536 1.53715 1.80951 25ArgHba 25ArgHbb None 5.70659e+07 >>537 537 1.53576 2.01324 34ArgHga 34ArgHbb None 2.59916e+07 >>538 538 1.52214 3.03405 25ArgHba 25ArgHda None 1.50217e+07 >>539 539 1.48220 3.03223 {*}Hg* {*}(He2/He3/Hbb/Hda) None 2.55469e+07 >>540 540 1.57080 2.96812 11LysHd2 11LysHe2 None 4.60559e+06 >>541 541 1.53508 2.91610 34ArgHga 42TrpHb2 None 9.25629e+06 >>542 542 1.52910 3.27101 34ArgHga 34ArgHdb None 1.88928e+07 >>543 543 1.63746 3.27493 34Arg(Hba/Hgb) 34ArgHdb None 1.33516e+07 >>544 544 1.48106 3.26505 25ArgHg* 25ArgHdb None 2.06126e+07 >>545 545 1.57402 4.40227 11LysHd2 11LysHa None 1.26007e+07 >>546 546 1.60774 0.86902 31LeuHbb 31LeuHdb* None 7.61494e+06 >>547 547 1.60977 0.78801 31LeuHbb 31LeuHda* None 2.47000e+07 >>548 548 1.61141 8.88238 22LysHgb 26AsnH None 1.28801e+07 >>549 549 1.60898 8.19589 31LeuHbb 31LeuH None 1.32671e+07 >>550 550 1.62556 7.70393 22LysHgb 22LysH None 3.81644e+06 >>551 551 1.60660 7.56771 31LeuHbb 32SerH None 7.97597e+06 >>552 552 1.60984 6.82715 22LysHgb 19AsnH None 2.41282e+06 >>553 553 1.61409 5.10835 46ArgHgb 45AsnHa None 2.96471e+06 >>554 554 1.60527 4.91244 31LeuHbb 30LeuHa None 7.99234e+06 >>555 555 1.61252 4.69065 46ArgHgb 46ArgHa None 5.37794e+06 >>556 556 1.60935 4.18636 31LeuHbb 31LeuHa None 7.26544e+06 >>557 557 1.60613 4.06299 31LeuHbb 44ThrHb None 4.47000e+06 >>558 558 1.61468 3.92495 (22Lys/31Leu)(Hgb/Hbb) (32Ser/22Lys)(Hba/Ha) None 3.82202e+06 >>559 559 1.62114 2.99770 46ArgHgb 46ArgHdb None 9.15759e+06 >>560 560 1.60141 2.95211 11LysHbb 11LysHe2 None 6.28739e+06 >>561 561 1.61008 2.85470 46ArgHgb 46ArgHda None 7.92842e+06 >>562 562 1.60067 2.76651 11LysHbb (10Phe/5Asn)Hbb None 4.98012e+06 >>563 563 1.63949 2.01787 34ArgHba 34ArgHbb None 6.20097e+07 >>564 564 1.61551 1.90702 46ArgHgb 46ArgHbb None 3.26671e+07 >>565 565 1.62850 1.74839 22LysHgb 22LysHd* None 1.26036e+08 >>566 566 1.60699 2.04814 22LysHgb 22LysHb* None 5.16866e+07 >>567 567 1.61259 1.98985 31LeuHbb 1LysHb* None 4.09886e+07 >>568 568 1.60763 1.42701 31LeuHbb 31LeuHba None 1.05203e+08 >>569 569 1.57628 1.49488 11LysHd2 11LysHba None 2.04266e+08 >>570 570 1.61712 1.48245 (31Leu/22Lys)(Hbb/Hgb) (22Lys/31Leu)(Hga/Hba) None 1.01786e+08 >>571 571 1.60963 1.25747 46ArgHgb 46ArgHga None 4.36942e+07 >>572 572 1.61056 1.12454 31LeuHbb 44ThrHg2* None 8.19109e+06 >>573 573 1.65220 8.88836 34Arg(Hba/Hgb) 34ArgH None 7.92223e+06 >>574 574 1.64325 0.46957 (41Cys/34Arg)Hba 6LeuHg None 5.50120e+06 >>575 575 1.69227 0.87038 31LeuHg 31LeuHdb* None 2.93125e+07 >>576 576 1.69228 0.78816 31LeuHg 31LeuHda* None 2.96937e+07 >>577 577 1.67115 1.25957 46ArgHba 46ArgHga None 1.95570e+07 >>578 578 1.70202 1.51075 22LysHd* 22LysHga None 7.90210e+07 >>579 579 1.70707 1.42748 31LeuHg 31LeuHba None 1.59258e+07 >>580 580 1.70063 2.04799 1LysHd3 4GluHbb None 1.93549e+07 >>581 581 1.71913 1.98760 22LysHd* 22LysHb2 None 3.67492e+07 >>582 582 1.68193 1.90677 46ArgHba 46ArgHbb None 4.54412e+07 >>583 583 1.70645 3.00300 22LysHd* (22Lys/19Asn)(He*/Hbb) None 2.28270e+07 >>584 584 1.68609 2.85424 46ArgHba 46ArgHda None 5.51929e+06 >>585 585 1.66658 4.68995 46ArgHba 46ArgHa None 7.54382e+06 >>586 586 1.70170 4.18126 31LeuHg 31LeuHa None 7.29613e+06 >>587 587 1.70173 5.11038 46ArgHba 45AsnHa None 1.78851e+07 >>588 588 1.69998 8.19627 31LeuHg 31LeuH None 1.62772e+07 >>589 589 1.70721 9.02022 31LeuHg 44ThrH None 4.36346e+06 >>590 590 1.74059 0.94927 30LeuHg 30LeuHd* None 5.34501e+07 >>591 591 1.74730 1.44359 30LeuHg 30LeuHba None 2.30850e+07 >>592 592 1.73836 1.63607 30LeuHg (31Leu/34Arg)(Hbb/Hgb) None 8.36307e+07 >>593 593 1.75225 1.91962 30LeuHg 30LeuHbb None 4.23475e+07 >>594 594 1.74919 2.29836 30LeuHg 28GluHb2 None 1.23889e+07 >>595 595 1.74085 3.01570 30LeuHg 25ArgHda None 2.46317e+07 >>596 596 1.75038 4.94532 30LeuHg 30LeuHa None 8.92070e+06 >>597 597 1.74654 8.19822 30LeuHg 31LeuH None 5.31938e+06 >>598 598 1.75341 8.66224 30LeuHg 30LeuH None 7.24505e+06 >>599 599 1.79499 1.12437 4GluHba 44ThrHg2* None 2.98116e+06 >>600 600 1.78862 1.04578 4GluHba 2ThrHg2* None 9.95454e+06 >>601 601 1.78226 0.79459 4GluHba 31LeuHda* None 5.54769e+06 >>602 602 1.78206 1.27075 36ArgHba 15IleHg1b None 5.43178e+06 >>603 603 1.79292 1.37170 36ArgHba 36ArgHga None 3.17886e+07 >>604 604 1.79520 1.54651 25ArgHbb 25ArgHba None 6.99354e+07 >>605 605 1.79859 1.50200 25ArgHbb 25ArgHba None 4.11665e+07 >>606 606 1.79637 2.07113 4GluHba 4GluHbb None 6.09409e+07 >>607 607 1.78271 2.18899 36ArgHba 36ArgHbb None 7.92371e+07 >>608 608 1.78018 2.28553 30LeuHg 28GluHb2 None 1.34309e+07 >>609 609 1.79436 3.03385 25ArgHbb 25ArgHda None 7.07252e+06 >>610 610 1.78816 3.25193 25ArgHbb 25ArgHdb None 1.34393e+07 >>611 611 1.78678 3.20806 36Arg(Hba/Hgb) 36ArgHda None 1.07089e+07 >>612 612 1.79646 4.27518 25ArgHbb 25ArgHa None 1.39135e+07 >>613 613 1.79858 4.61629 36ArgHba 37AspHa None 6.52980e+06 >>614 614 1.78321 5.11098 36ArgHba 36ArgHa None 1.86841e+07 >>615 615 1.80250 5.53100 4GluHba 4GluHa None 9.84303e+06 >>616 616 1.79713 7.83189 25ArgHbb 25ArgH None 7.27024e+06 >>617 617 1.79697 8.74405 4GluHba 4GluH None 7.03030e+06 >>618 618 1.79270 8.91020 25ArgHbb 26AsnH None 5.34856e+06 >>619 619 1.78053 9.01811 4GluHba 44ThrH None 7.61522e+06 >>620 620 1.78386 9.26045 4GluHba 45AsnH None 5.98984e+06 >>621 621 1.83655 9.26232 4GluHba 45AsnH None 1.02636e+07 >>622 622 1.91223 5.11169 30LeuHbb 45AsnHa None 4.55383e+06 >>623 623 1.91009 4.94230 30LeuHbb 30LeuHa None 1.88127e+07 >>624 624 1.89223 4.68959 (13Pro/46Arg)Hb* (13Pro/46Arg)Ha None 1.10496e+07 >>625 625 1.83993 2.74557 36ArgHgb 20CysHbb None 5.72138e+06 >>626 626 1.89306 2.99768 46ArgHbb 46ArgHdb None 5.96867e+06 >>627 627 1.89660 2.85702 46ArgHbb 46ArgHda None 9.80406e+06 >>628 628 1.90375 2.33331 13ProHba 13ProHbb None 2.56388e+07 >>629 629 1.84155 1.36728 36ArgHgb 36ArgHga None 5.23107e+07 >>630 630 1.90858 8.65343 30LeuHbb 30LeuH None 5.10924e+06 >>631 631 1.91295 8.19615 30LeuHbb 31LeuH None 2.76535e+07 >>632 632 1.90472 2.08659 13ProHba 13ProHgb None 2.89076e+07 >>633 633 1.89205 1.69249 46ArgHbb 46ArgHba None 5.65879e+07 >>634 634 1.90240 1.75895 30LeuHbb 30LeuHg None 5.69110e+07 >>635 635 1.88629 1.63269 46ArgHbb 46ArgHgb None 2.20319e+07 >>636 636 1.91368 1.44587 30LeuHbb 30LeuHba None 6.17678e+07 >>637 637 1.90000 1.27098 46ArgHbb 46ArgHga None 9.20951e+06 >>638 638 1.90390 1.04748 46ArgHbb 2ThrHg2* None 8.61986e+06 >>639 639 1.91157 0.95208 30LeuHbb 30LeuHdb* None 3.48360e+07 >>640 640 1.89400 0.89054 30LeuHbb 31LeuHdb* None 7.45952e+06 >>641 641 1.90909 0.78513 30LeuHbb 31LeuHda* None 3.22873e+07 >>642 642 1.99672 0.96810 28GluHg* 30LeuHdb* None 5.20014e+06 >>643 643 1.94410 2.37593 16ProHga 16ProHbb None 1.76514e+07 >>644 644 1.95148 4.17140 1LysHb2 1LysHa None 7.62945e+06 >>645 645 1.98949 1.50089 1LysHb* 1LysHg2 None 3.41033e+07 >>646 646 1.98060 1.73421 1LysHb* 1LysHd* None 3.61766e+07 >>647 647 2.00591 2.21742 28GluHg* 28GluHb3 None 2.21086e+07 >>648 648 2.03714 2.37842 16ProHba 16ProHbb None 5.05480e+07 >>649 649 2.00186 2.30065 (13Pro/28Glu)Hg* (28Glu/13Pro)Hb* None 2.56074e+07 >>650 650 2.06696 2.28567 (13Pro/4Glu)(Hgb/Hbb) (4Glu/13Pro)(Hgb/Hbb) None 3.04062e+07 >>651 651 1.98124 3.01011 1LysHb* 1LysHe* None 4.95292e+06 >>652 652 1.97560 3.92463 22LysHb* 22LysHa None 2.19413e+07 >>653 653 2.01065 3.57656 13ProHga 13ProHd* None 4.17234e+06 >>654 654 1.99511 4.27434 28GluHg2 28GluHa None 1.38290e+07 >>655 655 1.98111 4.17434 1LysHb3 1LysHa None 9.49145e+06 >>656 656 2.01192 4.10197 (13Pro/28Glu)Hg* (24Cys/12Gly)Ha None 4.39015e+06 >>657 657 1.97566 4.72302 16ProHga 17AspHa None 1.65480e+07 >>658 658 2.00084 6.98732 (22Lys/28Glu)(Hb2/Hg*) (26Asn/28Glu)(Hd2a/H) None 6.95833e+06 >>659 659 1.97706 7.70355 22LysHb3 22LysH None 1.58308e+07 >>660 660 1.97849 8.73636 1LysHb* 4GluH None 6.04263e+06 >>661 661 1.98082 8.44705 1LysHb2 2ThrH None 6.85488e+06 >>662 662 2.00536 8.21919 (13Pro/11Lys)(Hga/Hd3) 12GlyH None 3.48675e+06 >>663 663 2.00620 1.54361 34ArgHbb 34ArgHga None 2.28852e+07 >>664 664 2.00195 1.65062 34ArgHbb 34ArgHba None 8.59452e+07 >>665 665 2.03805 2.75088 34ArgHbb 20CysHbb None 5.75871e+06 >>666 666 2.03063 4.91230 16ProHba 16ProHa None 5.50728e+06 >>667 667 2.03223 4.97974 16ProHba 16ProHa None 1.05096e+07 >>668 668 2.02402 6.82054 {*}Hb 19AsnH None 4.98416e+06 >>669 669 2.02797 8.88104 34ArgHbb 34ArgH None 1.28311e+07 >>670 670 2.07066 1.28817 15IleHb 15IleHg1b None 1.02026e+07 >>671 671 2.06824 1.20065 15IleHb 15IleHg1a None 8.56619e+06 >>672 672 2.07375 0.98269 15IleHb 15IleHg2* None 3.74820e+07 >>673 673 2.07060 0.90124 15IleHb 15IleHd1* None 1.97923e+07 >>674 674 2.28553 0.96546 28GluHb2 30LeuHd* None 1.21274e+07 >>675 675 2.18833 0.94724 (4Glu/36Arg)(Hga/Hbb) (15Ile/30Leu)(Hg2*/Hdb*) None 2.08297e+07 >>676 676 2.18327 1.36409 36ArgHbb 36ArgHga None 1.19454e+07 >>677 677 2.04694 1.72102 4GluHbb 1LysHd3 None 1.70340e+07 >>678 678 2.06129 1.81074 4GluHbb 4GluHba None 6.53540e+07 >>679 679 2.06603 2.51608 15IleHb 17AspHba None 6.46730e+06 >>680 680 2.06706 2.20341 4GluHbb 4GluHga None 7.18149e+07 >>681 681 2.06897 3.62571 13ProHgb 13ProHdb None 3.22815e+06 >>682 682 2.06619 5.53014 4GluHbb 4GluHa None 7.86387e+06 >>683 683 2.06935 6.95435 4GluHbb 42TrpHe3 None 6.23221e+06 >>684 684 2.06496 8.74171 4GluHbb 4GluH None 7.41323e+06 >>685 685 2.07533 8.99863 4GluHbb 5AsnH None 4.55355e+06 >>686 686 2.17828 9.02575 36ArgHbb 37AspH None 1.28628e+07 >>687 687 2.17740 8.96298 4GluHga 5AsnH None 4.04094e+06 >>688 688 2.19226 8.74048 4GluHga 4GluH None 2.77804e+06 >>689 689 2.19245 7.96384 36ArgHbb 39PheH None 1.33321e+07 >>690 690 2.17924 1.79800 36ArgHbb 36ArgHba None 9.45671e+07 >>691 691 2.19708 2.01252 4GluHga 34ArgHbb None 2.61427e+07 >>692 692 2.19296 2.07672 4GluHga 4GluHbb None 7.19386e+07 >>693 693 2.20316 2.28998 4GluHga 4GluHgb None 2.06116e+08 >>694 694 2.19040 2.47136 4GluHga 5AsnHba None 7.79250e+07 >>695 695 2.19264 2.86654 36ArgHbb 39PheHbb None 6.64793e+06 >>696 696 2.17742 3.20867 36ArgHbb 36ArgHda None 8.22250e+06 >>697 697 2.20801 4.27768 28GluHb3 28GluHa None 1.65784e+07 >>698 698 2.20332 4.10061 4GluHga 32SerHbb None 9.52830e+06 >>699 699 2.19927 4.69042 36ArgHbb 40ArgHa None 6.07412e+06 >>700 700 2.17945 5.11048 36ArgHbb 36ArgHa None 1.91021e+07 >>701 701 2.19367 5.53108 4GluHga 4GluHa None 1.07621e+07 >>702 702 2.19725 6.98287 4GluHga 42TrpHe3 None 1.78950e+07 >>703 703 2.27434 6.95750 4GluHgb 5AsnHd2a None 1.79095e+07 >>704 704 2.26757 5.53199 4GluHgb 4GluHa None 8.86225e+06 >>705 705 2.27334 2.87335 4GluHgb 42TrpHb3 None 8.30794e+06 >>706 706 2.25897 2.86346 4GluHgb 42TrpHb3 None 6.48714e+06 >>707 707 2.27445 2.21124 4GluHgb 4GluHga None 2.02816e+08 >>708 708 2.28797 2.01236 (13Pro/28Glu)Hb* (28Glu/13Pro)Hg* None 1.48729e+07 >>709 709 2.28288 1.80945 13ProHbb 37AspHb* None 1.39538e+07 >>710 710 2.27828 1.75441 28GluHb2 30LeuHg None 1.45668e+07 >>711 711 2.26666 2.07738 4GluHgb 4GluHbb None 1.97385e+07 >>712 712 2.32093 1.91216 13ProHbb 13ProHba None 2.39694e+07 >>713 713 2.32151 4.71748 13ProHbb 13ProHa None 1.63940e+06 >>714 714 2.28284 4.27436 28GluHb2 28GluHa None 1.40630e+07 >>715 715 2.28199 4.09841 28GluHb* 24CysHa None 6.98983e+06 >>716 716 2.36899 2.05238 16ProHbb 16ProHba None 4.06921e+07 >>717 717 2.46056 2.20361 5AsnHba 4GluHga None 8.02361e+07 >>718 718 2.46655 8.97348 5AsnHba 5AsnH None 6.49423e+06 >>719 719 2.45875 8.13214 5AsnHba 6LeuH None 5.72239e+06 >>720 720 2.46044 7.96637 27AsnHbb 27AsnH None 6.87760e+06 >>721 721 2.42851 7.81724 10PheHba 10PheH None 2.98132e+06 >>722 722 2.45159 7.72300 5AsnHba 5AsnHd2b None 4.62716e+06 >>723 723 2.47776 6.93271 5AsnHba 5AsnHd2a None 3.29043e+06 >>724 724 2.45955 6.98975 5AsnHba 42TrpHe3 None 5.20325e+06 >>725 725 2.40980 6.82107 10PheHba 10PheHd* None 7.53279e+06 >>726 726 2.47656 5.26610 5AsnHba 5AsnHa None 8.14680e+06 >>727 727 2.46379 4.69108 27AsnHbb 27AsnHa None 1.52116e+07 >>728 728 2.46292 2.74818 5AsnHba 5AsnHbb None 9.84682e+07 >>729 729 2.49895 2.08742 17AspHba 15IleHb None 5.95871e+06 >>730 730 2.54557 9.17851 24CysHb* 24CysH None 6.53908e+06 >>731 731 2.54333 7.83620 24CysHba 25ArgH None 6.38164e+06 >>732 732 2.53147 4.72137 17AspHba 17AspHa None 1.52921e+06 >>733 733 2.54694 4.10089 24CysHba 24CysHa None 1.66041e+07 >>734 734 2.54472 4.01234 24CysHba 21AsnHa None 5.35631e+06 >>735 735 2.54523 3.24959 24CysHba 25ArgHdb None 8.18526e+06 >>736 736 2.53205 3.10040 24CysHb* (34Arg/21Asn)(Hda/Hbb) None 3.69252e+07 >>737 737 2.50124 3.09811 5AsnHba 6LeuHa None 3.33551e+07 >>738 738 2.53881 2.61454 24CysHba 24CysHbb None 1.20766e+08 >>739 739 2.54761 1.44861 24CysHba 30LeuHba None 6.65885e+06 >>740 740 2.55015 0.96220 24CysHba 30LeuHdb* None 3.80214e+06 >>741 741 2.61269 1.45458 24CysHbb 30LeuHba None 4.37181e+06 >>742 742 2.66067 2.76931 20CysHba 20CysHbb None 4.18773e+07 >>743 743 2.62039 2.94182 24CysHbb 43CysHba None 3.03508e+07 >>744 744 2.62138 3.03760 24CysHbb 25ArgHda None 7.10500e+07 >>745 745 2.65719 3.04033 19AsnHba 19AsnHbb None 5.58657e+07 >>746 746 2.69098 2.89290 39PheHba 39PheHbb None 1.63253e+08 >>747 747 2.71782 2.85637 26AsnHba 26AsnHbb None 1.95811e+08 >>748 748 2.74184 2.92290 (3Cys/45Asn)Hba (45Asn/3Cys)Hbb None 1.27896e+08 >>749 749 2.61626 3.24925 24CysHbb 43CysHbb None 5.05026e+06 >>750 750 2.61662 4.06496 38AspHb* 38AspHa None 3.37681e+07 >>751 751 2.61983 4.01216 (20Cys/24Cys)Hb* 21AsnHa None 9.45754e+06 >>752 752 2.65206 4.31562 19AsnHba 19AsnHa None 1.93228e+07 >>753 753 2.62495 4.31587 38AspHb* 18GlyHab None 2.09861e+07 >>754 754 2.61592 7.83617 24CysHbb 25ArgH None 4.15515e+06 >>755 755 2.65154 7.96364 38AspHb2 39PheH None 4.03444e+06 >>756 756 2.61705 7.96000 38AspHb* 39PheH None 7.23695e+06 >>757 757 2.61821 8.28361 38AspHb3 38AspH None 1.33771e+07 >>758 758 2.61376 8.77751 20CysHba 36ArgH None 4.25975e+06 >>759 759 2.61319 9.17812 24CysHbb 24CysH None 7.68906e+06 >>760 760 2.68610 9.01912 39PheHba 37AspH None 2.15845e+07 >>761 761 2.68473 8.43379 39PheHba 40ArgH None 5.08967e+06 >>762 762 2.69240 7.62974 26AsnHba 26AsnHd2b None 1.57872e+07 >>763 763 2.70358 7.02055 26AsnHba 26AsnHd2a None 4.10703e+06 >>764 764 2.68906 5.08171 39PheHba 39PheHa None 1.54178e+07 >>765 765 2.69609 4.46531 26AsnHba 26AsnHa None 1.28967e+07 >>766 766 2.61656 2.55310 24CysHbb 24CysHba None 1.10692e+08 >>767 767 2.74368 1.36226 3CysHba 47CysHb2 None 6.16203e+06 >>768 768 2.75519 1.61540 20CysHbb 34ArgHba None 4.97881e+06 >>769 769 2.73712 1.85792 20CysHbb 36ArgHgb None 7.98653e+06 >>770 770 2.74863 2.04159 {*}Hb* {*}(Hg2/Hd3/Hbb) None 4.79662e+06 >>771 771 2.74359 2.47826 5AsnHbb 5AsnHba None 8.57732e+07 >>772 772 2.72715 2.47460 26AsnHba 27AsnHbb None 1.01732e+08 >>773 773 2.75677 2.66531 20CysHbb 20CysHba None 5.32133e+07 >>774 774 2.79587 3.15254 21AsnHba 21AsnHbb None 4.93911e+07 >>775 775 2.76773 3.36125 20CysHbb 36ArgHdb None 3.65464e+06 >>776 776 2.73723 3.22153 45AsnHba 43CysHbb None 1.19309e+07 >>777 777 2.73493 3.33078 20CysHbb 36ArgHdb None 4.57551e+06 >>778 778 2.76067 3.52914 20CysHbb 35CysHbb None 3.20482e+06 >>779 779 2.72053 4.46573 26AsnHba 26AsnHa None 2.22388e+07 >>780 780 2.74235 5.10221 3CysHba 3CysHa None 1.27094e+07 >>781 781 2.74591 5.26928 5AsnHbb 5AsnHa None 1.60042e+07 >>782 782 2.72688 5.26533 45AsnHba 44ThrHa None 1.87589e+07 >>783 783 2.74186 6.81999 20CysHbb 19AsnH None 1.20925e+07 >>784 784 2.74330 6.93696 5AsnHbb 5AsnHd2a None 5.97441e+06 >>785 785 2.71516 7.07758 45AsnHba 45AsnHd2a None 3.41550e+06 >>786 786 2.71727 7.59116 (45Asn/26Asn)Hba (26Asn/45Asn)Hd2b None 1.03646e+07 >>787 787 2.74836 7.73107 5AsnHbb 5AsnHd2b None 5.99572e+06 >>788 788 2.73728 7.81341 26AsnHba 27AsnHd2b None 5.41951e+06 >>789 789 2.71784 7.97662 26AsnHba 27AsnH None 5.75361e+06 >>790 790 2.74810 8.13570 5AsnHbb 6LeuH None 1.07693e+07 >>791 791 2.72659 8.13422 5AsnHbb 6LeuH None 1.15606e+07 >>792 792 2.73769 9.07146 3CysHba 3CysH None 1.32826e+07 >>793 793 2.71772 8.90780 26AsnHba 26AsnH None 1.11809e+07 >>794 794 2.79306 4.01463 21AsnHba 21AsnHa None 4.78471e+06 >>795 795 2.74842 4.33303 20CysHbb 20CysHa None 5.36325e+06 >>796 796 2.79280 6.79252 10PheHbb 10PheHd* None 6.40620e+06 >>797 797 2.79359 7.78088 21AsnHba 21AsnHd2b None 1.27908e+07 >>798 798 2.79304 7.71055 21AsnHba 22LysH None 7.55751e+06 >>799 799 2.86932 9.02022 42TrpHb3 42TrpH None 1.70877e+07 >>800 800 2.84167 8.90881 26AsnHbb 26AsnH None 1.14582e+07 >>801 801 2.86908 8.42994 39PheHbb 40ArgH None 7.35619e+06 >>802 802 2.84093 7.97901 26AsnHbb 27AsnH None 3.78645e+06 >>803 803 2.87255 7.63091 26AsnHbb 26AsnHd2b None 9.13904e+06 >>804 804 2.84251 7.58874 26AsnHbb 26AsnHd2b None 9.68664e+06 >>805 805 2.84873 6.95596 42TrpHb3 42TrpHe3 None 1.67912e+07 >>806 806 2.87014 5.08537 39PheHbb 39PheHa None 2.22235e+07 >>807 807 2.83381 4.46657 26AsnHbb 26AsnHa None 1.41898e+07 >>808 808 2.84614 2.98838 46ArgHda 46ArgHdb None 1.13070e+08 >>809 809 2.83753 2.72180 46ArgHda 45AsnHba None 1.71122e+08 >>810 810 2.87434 2.69244 26AsnHbb 26AsnHba None 1.56551e+08 >>811 811 2.86100 2.28444 26AsnHbb 27AsnHba None 1.06006e+07 >>812 812 2.85732 2.21194 (42Trp/39Phe)Hb* (36Arg/4Glu)(Hbb/Hga) None 6.51981e+06 >>813 813 2.83948 1.62517 46ArgHda 46ArgHgb None 1.11777e+07 >>814 814 2.84722 1.90320 46ArgHda 46ArgHbb None 1.11705e+07 >>815 815 2.84340 1.70179 46ArgHda 46ArgHba None 8.34186e+06 >>816 816 2.85739 1.26783 46ArgHda 46ArgHga None 7.05963e+06 >>817 817 2.83651 1.24938 46ArgHda 46ArgHga None 5.46321e+06 >>818 818 2.93456 5.95965 43CysHba 43CysHa None 6.82615e+06 >>819 819 2.92191 5.09785 45AsnHbb 45AsnHa None 1.54606e+07 >>820 820 2.89839 5.09540 3CysHbb 3CysHa None 3.10463e+07 >>821 821 2.86714 7.02193 26AsnHbb 26AsnHd2a None 3.70968e+06 >>822 822 2.89155 8.43329 39PheHbb 40ArgH None 5.72950e+06 >>823 823 2.90155 9.07179 3CysHbb 3CysH None 7.58046e+06 >>824 824 2.90253 8.74093 3CysHbb 4GluH None 7.74538e+06 >>825 825 2.93290 9.15522 43CysHba 24CysH None 8.70262e+06 >>826 826 2.93043 9.02877 43CysHba 44ThrH None 9.03601e+06 >>827 827 2.93405 0.96533 43CysHba 30LeuHdb* None 2.01538e+07 >>828 828 3.25690 0.07587 34ArgHdb 6LeuHda* None 4.02619e+06 >>829 829 3.25575 0.46729 34ArgHdb 6LeuHg None 3.05213e+06 >>830 830 3.13039 0.46430 34ArgHda 6LeuHg None 4.49307e+06 >>831 831 3.05597 0.25970 6LeuHa 6LeuHdb* None 9.30693e+06 >>832 832 3.12889 1.64993 34ArgHda 34ArgHgb None 1.23949e+07 >>833 833 3.12817 1.54201 34ArgHda 34ArgHga None 1.10428e+07 >>834 834 2.90187 1.85730 39PheHbb 36ArgHgb None 5.28199e+06 >>835 835 2.89581 1.54372 11LysHe2 11LysHd2 None 9.86608e+06 >>836 836 2.91520 1.25179 11LysHe2 11LysHga None 6.18069e+06 >>837 837 2.90306 1.36687 39PheHbb 36ArgHga None 4.47477e+06 >>838 838 2.90107 2.74797 39PheHbb 20CysHbb None 1.16647e+08 >>839 839 2.93389 3.24614 43CysHba 43CysHbb None 6.18982e+07 >>840 840 2.93045 2.28802 11LysHe2 11LysHd3 None 4.55026e+06 >>841 841 2.91428 2.20657 42TrpHb2 4GluHga None 3.99120e+06 >>842 842 2.93970 1.58874 11LysHe2 11LysHbb None 1.68614e+07 >>843 843 2.93539 2.64270 43CysHba 24CysHbb None 2.96080e+07 >>844 844 2.92474 6.95384 42TrpHb2 42TrpHe3 None 1.20126e+07 >>845 845 2.93170 7.42546 42TrpHb2 42TrpHd1 None 4.79990e+06 >>846 846 3.01062 4.31626 22LysHe2 19AsnHa None 1.41760e+07 >>847 847 2.98278 3.36853 14CysHba 14CysHbb None 3.72650e+07 >>848 848 3.00995 2.65304 22LysHe2 19AsnHba None 6.32221e+07 >>849 849 2.99343 1.98908 46ArgHdb 46ArgHbb None 3.78118e+06 >>850 850 2.98638 1.62904 (46Arg/22Lys)(Hdb/He2) (22Lys/46Arg)Hgb None 1.26878e+07 >>851 851 3.03221 1.80472 25ArgHda 25ArgHbb None 6.86291e+06 >>852 852 3.00040 1.74326 22LysHe* 22LysHd* None 3.73653e+07 >>853 853 3.03085 1.74522 19AsnHbb 22LysHd3 None 9.61535e+06 >>854 854 2.98512 1.70649 46ArgHdb 46ArgHba None 2.71926e+07 >>855 855 3.01249 1.50641 (22Lys/1Lys)He* (22Lys/1Lys)Hg* None 2.69406e+07 >>856 856 3.03117 1.53869 25ArgHda 25ArgHba None 1.25654e+07 >>857 857 3.04189 1.48512 19AsnHbb 22LysHga None 1.57423e+07 >>858 858 2.97910 1.25831 46ArgHdb 46ArgHga None 8.76460e+06 >>859 859 2.97137 3.16029 {*}(Hba/Hda/Hb2/He2) (34Arg/21Asn)(Hda/Hbb) None 4.80007e+06 >>860 860 3.05406 0.07616 6LeuHa 6LeuHda* None 2.24261e+07 >>861 861 3.05565 0.46907 6LeuHa 6LeuHg None 8.86989e+06 >>862 862 3.05636 0.74651 6LeuHa 6LeuHba None 1.11317e+07 >>863 863 3.05240 0.94038 6LeuHa 6LeuHbb None 1.48568e+07 >>864 864 3.07252 2.52953 17AspHbb 17AspHba None 3.78639e+07 >>865 865 3.03687 2.65260 19AsnHbb 19AsnHba None 7.32582e+07 >>866 866 3.04319 3.26150 25ArgHda 25ArgHdb None 7.96499e+07 >>867 867 3.03672 4.31760 19AsnHbb 19AsnHa None 1.65546e+07 >>868 868 3.05353 8.65206 6LeuHa 7SerH None 3.04246e+07 >>869 869 3.05310 8.13772 6LeuHa 6LeuH None 9.85265e+06 >>870 870 3.10229 2.53110 17AspHbb 17AspHba None 3.49359e+07 >>871 871 3.11978 2.01496 34ArgHda 34ArgHbb None 5.20423e+06 >>872 872 3.14641 2.80994 21AsnHbb 21AsnHba None 5.56989e+07 >>873 873 3.21021 2.74856 36ArgHda 20CysHbb None 1.32530e+07 >>874 874 3.12624 3.27925 34ArgHda 34ArgHdb None 1.10550e+08 >>875 875 3.14129 4.01360 21AsnHbb 21AsnHa None 8.61493e+06 >>876 876 3.12982 8.42691 21AsnHbb 21AsnH None 8.04627e+06 >>877 877 3.20748 1.36750 36ArgHda 36ArgHga None 2.16732e+07 >>878 878 3.19747 2.18634 36ArgHda 36ArgHbb None 1.20656e+07 >>879 879 3.22774 2.94656 43CysHbb 43CysHba None 6.86375e+07 >>880 880 3.21012 3.32931 36ArgHda 36ArgHdb None 1.68408e+08 >>881 881 3.20946 4.66463 36ArgHda 40ArgHa None 3.26720e+07 >>882 882 3.24208 5.95651 43CysHbb 43CysHa None 1.36149e+07 >>883 883 3.21288 8.43342 36ArgHda 40ArgH None 6.18289e+06 >>884 884 3.22776 9.04049 43CysHbb (33Gly/44Thr)H None 9.07189e+06 >>885 885 3.31401 8.43097 36ArgHdb 40ArgH None 6.07141e+06 >>886 886 3.34957 7.72588 36ArgHdb 19AsnHd2b None 1.78507e+07 >>887 887 3.33724 6.81934 36ArgHdb 19AsnH None 4.33236e+06 >>888 888 3.39345 4.65283 35CysHba 40ArgHa None 1.66959e+07 >>889 889 3.37252 4.64846 29HisHb2 29HisHa None 1.12056e+07 >>890 890 3.31306 4.66464 36ArgHdb 40ArgHa None 3.41430e+07 >>891 891 3.31360 3.21961 36ArgHdb 36ArgHda None 1.67175e+08 >>892 892 3.25811 3.13487 34ArgHdb 34ArgHda None 1.25488e+08 >>893 893 3.25014 2.95122 25ArgHdb 43CysHba None 5.15286e+07 >>894 894 3.31877 2.92189 36ArgHdb 39PheHbb None 4.54444e+06 >>895 895 3.31400 2.74959 36ArgHdb 20CysHbb None 8.08597e+06 >>896 896 3.24930 2.54944 43CysHbb 24CysHb* None 5.35147e+06 >>897 897 3.22387 2.54928 43CysHbb 24CysHb* None 7.63708e+06 >>898 898 3.22653 2.18783 36ArgHda 36ArgHbb None 1.06253e+07 >>899 899 3.21991 1.85210 36ArgHda 36ArgHgb None 1.25164e+07 >>900 900 3.21901 1.79466 36ArgHda 36ArgHba None 1.46158e+07 >>901 901 3.25988 1.65503 34ArgHdb 34Arg(Hba/Hgb) None 1.48002e+07 >>902 902 3.25791 1.54242 34ArgHdb 34ArgHga None 2.06649e+07 >>903 903 3.24643 1.49229 25ArgHdb 25ArgHg* None 2.17426e+07 >>904 904 3.22982 1.44290 43CysHbb 30LeuHba None 6.92681e+06 >>905 905 3.31090 1.37181 36ArgHdb 36ArgHga None 5.15320e+06 >>906 906 3.24550 0.96678 25ArgHdb 30LeuHd* None 2.60277e+07 >>907 907 3.22868 0.96267 43CysHbb 30LeuHda* None 2.90079e+07 >>908 908 3.36646 2.99235 14CysHbb 14CysHba None 3.62189e+07 >>909 909 3.39077 3.52707 35CysHba 35CysHbb None 1.17259e+08 >>910 910 3.51918 2.04194 (7Ser/29His)Hb* (28Glu/34Arg)(Hg2/Hbb) None 7.68726e+06 >>911 911 3.52251 2.75785 35CysHbb 20CysHbb None 5.57847e+06 >>912 912 3.50833 3.39595 35CysHbb 35CysHba None 1.17632e+08 >>913 913 3.46905 3.59113 29HisHb2 29HisHb3 None 3.24046e+07 >>914 914 3.57969 3.47889 29HisHb2 29HisHb3 None 3.66187e+07 >>915 915 3.56433 4.11955 13ProHda 12GlyHab None 1.18999e+07 >>916 916 3.46982 4.28680 29HisHb2 (25Arg/28Glu)Ha None 1.41955e+07 >>917 917 3.46522 6.82035 10PheHa 10PheHd* None 1.06292e+07 >>918 918 3.47260 8.73529 29HisHb3 None None 1.03834e+07 >>919 919 3.46728 9.17798 29HisHb3 24CysH None 5.89079e+06 >>920 920 3.56859 2.33557 13ProHda 13ProHbb None 5.07732e+06 >>921 921 3.57030 2.08121 13ProHda 13ProHgb None 1.03331e+07 >>922 922 3.56635 2.02495 13ProHda 13ProHga None 1.71451e+07 >>923 923 3.56353 1.92406 13ProHda 13ProHba None 5.86413e+06 >>924 924 3.51883 4.11339 7SerHba 7SerHbb None 4.75740e+07 >>925 925 3.50745 4.64843 7SerHba (40Arg/37Asp)Ha None 1.01991e+07 >>926 926 3.51755 8.65208 7SerHba 7SerH None 1.44275e+07 >>927 927 3.56159 3.86329 13ProHda 12GlyHaa None 8.59155e+06 >>928 928 3.57850 8.73012 29HisHb2 None None 6.03563e+06 >>929 929 3.57810 6.81893 29HisHb2 19AsnH None 6.36890e+06 >>930 930 3.62261 2.08161 13ProHdb 13ProHgb None 1.43628e+07 >>931 931 3.62226 2.02286 13ProHdb 13ProHga None 1.23676e+07 >>932 932 3.61637 4.11425 13ProHdb 12GlyHab None 8.83245e+06 >>933 933 3.62202 3.81595 13ProHdb 12GlyHaa None 4.04385e+07 >>934 934 3.67770 2.08025 16ProHda 15IleHb None 1.78580e+07 >>935 935 3.67144 1.94867 16ProHda 16ProHga None 3.98561e+06 >>936 936 3.73467 2.07586 16ProHdb 15IleHb None 1.60361e+07 >>937 937 3.74111 2.03556 16ProHdb (16Pro/15Ile)(Hgb/Hb) None 1.14307e+07 >>938 938 3.74178 1.95382 16ProHdb 16ProHga None 8.70262e+06 >>939 939 3.85939 3.57576 12GlyHaa 13ProHda None 6.69281e+06 >>940 940 3.86994 4.10254 12GlyHaa 12GlyHab None 6.05458e+07 >>941 941 3.86334 8.24070 12GlyHaa 12GlyH None 1.05364e+07 >>942 942 3.91355 1.99074 22LysHa 22LysHb* None 3.38084e+07 >>943 943 3.91235 1.63326 22LysHa 22LysHgb None 8.25659e+06 >>944 944 3.91177 1.54783 22LysHa 25ArgHba None 8.38910e+06 >>945 945 3.91179 1.48373 22LysHa (25Arg/22Lys)Hg* None 1.34634e+07 >>946 946 3.89206 4.09134 8GlyHaa 8GlyHab None 8.93417e+07 >>947 947 3.91291 7.70472 22LysHa 22LysH None 8.47223e+06 >>948 948 3.99031 9.05901 32SerHba 33GlyH None 2.58109e+07 >>949 949 3.98467 4.56561 32SerHba 32SerHa None 2.46280e+07 >>950 950 3.98328 4.12125 32SerHba 32SerHbb None 1.06102e+08 >>951 951 4.00310 2.81098 21AsnHa 21AsnHba None 9.06308e+06 >>952 952 4.00157 3.15635 21AsnHa 21AsnHbb None 1.31598e+07 >>953 953 4.07068 9.06787 33GlyHaa 33GlyH None 2.79365e+07 >>954 954 4.04342 9.03865 44ThrHb 44ThrH None 2.10548e+07 >>955 955 4.04406 7.56583 44ThrHb 32SerH None 5.82301e+06 >>956 956 4.05592 5.27427 44ThrHb 44ThrHa None 1.17554e+07 >>957 957 4.04532 1.62452 44ThrHb 31LeuHbb None 7.87122e+06 >>958 958 4.05743 1.12595 44ThrHb 44ThrHg2* None 7.07397e+07 >>959 959 4.07457 1.04383 2ThrHb 2ThrHg2* None 5.01254e+07 >>960 960 4.08347 2.29762 (8Gly/7Ser)(Hab/Hbb) (11Lys/13Pro)(Hd3/Hbb) None 8.14524e+06 >>961 961 4.08842 2.21483 24CysHa 28GluHb3 None 1.92825e+07 >>962 962 4.09382 2.02013 24CysHa 28GluHg2 None 6.19271e+06 >>963 963 4.09376 2.63377 18GlyHaa 20CysHba None 1.51391e+07 >>964 964 4.04896 2.62879 38AspHa 38AspHb* None 3.13907e+07 >>965 965 4.09419 2.55089 18GlyHaa 17AspHba None 1.38912e+07 >>966 966 4.10135 3.53170 7SerHbb 7SerHba None 3.60487e+07 >>967 967 4.07111 3.89674 33GlyHaa 22LysHa None 6.81269e+07 >>968 968 4.08836 3.89195 8GlyHab 8GlyHaa None 4.69085e+07 >>969 969 4.10493 3.99336 32SerHbb 32SerHba None 1.01798e+08 >>970 970 4.10219 4.56521 32SerHbb 32SerHa None 2.44458e+07 >>971 971 4.10065 4.47929 7SerHbb 7SerHa None 7.54817e+06 >>972 972 4.10493 4.32193 18GlyHaa 18GlyHab None 2.96767e+07 >>973 973 4.06994 5.34704 2ThrHb 2ThrHa None 5.83064e+07 >>974 974 4.09710 5.95710 32SerHbb 43CysHa None 5.63282e+06 >>975 975 4.06665 5.95863 33GlyHaa 43CysHa None 6.11957e+06 >>976 976 4.09410 7.03780 24CysHa 28GluH None 4.67353e+06 >>977 977 4.09443 6.98944 24CysHa 27AsnHd2a None 4.11506e+06 >>978 978 4.09866 8.65191 7SerHbb 7SerH None 9.90152e+06 >>979 979 4.08499 9.17934 24CysHa 24CysH None 6.18879e+06 >>980 980 4.09616 9.06008 2ThrHb 3CysH None 1.75281e+07 >>981 981 4.09663 8.88167 (24Cys/32Ser)(Ha/Hbb) (34Arg/26Asn)H None 6.76900e+06 >>982 982 4.06579 8.87938 33GlyHaa 34ArgH None 4.13959e+06 >>983 983 4.17219 0.87002 31LeuHa 31LeuHdb* None 5.28493e+07 >>984 984 4.16816 0.78525 31LeuHa 31LeuHda* None 6.09825e+06 >>985 985 4.16596 1.71771 31LeuHa 31LeuHg None 1.18056e+07 >>986 986 4.16897 1.62081 31LeuHa 31LeuHbb None 1.19997e+07 >>987 987 4.16242 1.51053 1LysHa 1LysHg* None 1.69884e+07 >>988 988 4.16915 1.42601 31LeuHa 31LeuHba None 2.74286e+07 >>989 989 4.16170 1.97769 1LysHa 1LysHb* None 1.92430e+07 >>990 990 4.16265 8.44666 1LysHa 2ThrH None 3.70053e+07 >>991 991 4.16879 8.38283 35CysHa 20CysH None 1.38549e+07 >>992 992 4.08842 8.24091 12GlyHab 12GlyH None 6.24162e+06 >>993 993 4.17183 8.19974 31LeuHa 31LeuH None 1.24940e+07 >>994 994 4.28370 7.97363 (28Glu/25Arg)Ha 27AsnH None 1.40685e+07 >>995 995 4.27444 7.93354 (28Glu/25Arg)Ha 27AsnH None 9.06089e+06 >>996 996 4.26148 7.83780 25ArgHa 25ArgH None 1.06970e+07 >>997 997 4.26735 6.98564 28GluHa 28GluH None 1.08206e+07 >>998 998 4.31670 6.93501 18GlyHab 39PheHd* None 8.04716e+06 >>999 999 4.26068 6.48954 25ArgHa None None 6.47998e+06 >>1000 1000 4.29519 4.10530 (28Glu/25Arg)Ha 24CysHa None 3.10544e+07 >>1001 1001 4.26986 3.47445 (28Glu/25Arg)Ha 29HisHb2 None 9.92481e+06 >>1002 1002 4.30323 3.03439 19AsnHa 19AsnHbb None 4.23964e+07 >>1003 1003 4.27625 2.47190 28GluHa 27AsnHbb None 6.28708e+06 >>1004 1004 4.26202 2.29655 28GluHa 28GluHb2 None 2.83354e+07 >>1005 1005 4.26517 2.21228 28GluHa 28GluHb3 None 2.43562e+07 >>1006 1006 4.26255 1.99722 28GluHa 28GluHg* None 2.42496e+07 >>1007 1007 4.26209 1.80739 25ArgHa 25ArgHbb None 2.46351e+07 >>1008 1008 4.26466 1.54376 25ArgHa 25ArgHba None 1.67953e+07 >>1009 1009 4.26330 1.49084 25ArgHa 25ArgHg2 None 3.40468e+07 >>1010 1010 4.31658 2.76434 18GlyHab 20CysHbb None 1.25199e+07 >>1011 1011 4.30788 2.65499 19AsnHa 19AsnHba None 4.61962e+07 >>1012 1012 4.32026 4.10373 18GlyHab 18GlyHaa None 1.95554e+07 >>1013 1013 5.06090 9.01349 (3Cys/45Asn)Ha (44Thr/5Asn)H None 8.25608e+06 >>1014 1014 9.76912 7.77373 8GlyH 9ThrH None 7.86183e+06 >>1015 1015 8.64055 9.16553 30LeuH 24CysH None 5.36396e+06 >>1016 1016 7.95244 8.28594 39PheH 38AspH None 6.01273e+06 >>1017 1017 8.27311 4.60012 38AspH 37AspHa None 6.05646e+06 >>1018 1018 8.26772 4.06379 38AspH 38AspHa None 4.10367e+06 >>1019 1019 7.92251 4.28437 39PheH 20CysHa None 6.61032e+06 >>1020 1020 8.80256 3.36577 36ArgH 14CysHbb None 6.29605e+06 >>1021 1021 8.71425 3.48350 None 29HisHb3 None 4.68786e+06 >>1022 1022 8.55136 3.03414 21AsnH 19AsnHbb None 6.08729e+06 >>1023 1023 8.79076 2.85540 36ArgH 39PheHbb None 7.17493e+06 >>1024 1024 8.78797 2.98900 36ArgH 14CysHba None 8.22695e+06 >>1025 1025 8.76470 2.64600 36ArgH 20CysHba None 5.50297e+06 >>1026 1026 8.27010 2.62920 38AspH 38AspHb* None 9.68656e+06 >>1027 1027 7.92204 2.47076 27AsnH 27AsnHbb None 8.15571e+06 >>1028 1028 7.92351 2.20345 39PheH 36ArgHbb None 1.14105e+07 >>1029 1029 7.90384 1.78574 25ArgH 25ArgHbb None 4.31362e+06 >>1030 1030 7.94538 1.80010 27AsnH 25ArgHbb None 5.43310e+06 >>1031 1031 8.26983 1.79712 38AspH 36ArgHba None 1.81826e+07 >>1032 1032 8.79739 1.62592 36ArgH 34Arg(Hba/Hgb) None 7.83154e+06 >>1033 1033 8.75711 1.62362 None 22LysHgb None 4.99115e+06 >>1034 1034 8.99569 1.19946 37AspH 15IleHg1a None 5.80610e+06 >>1035 1035 7.47940 0.07462 42TrpHz2 6LeuHda* None 6.59359e+06 >>1036 1036 7.48152 0.26470 42TrpHz2 6LeuHdb* None 3.26566e+06 >>1037 1037 7.48228 0.47283 42TrpHz2 6LeuHg None 5.92054e+06 >>1038 1038 8.64027 0.24626 7SerH 6LeuHdb* None 2.78448e+06 >>1039 1039 7.21740 1.37290 42TrpHh2 11LysHgb None 3.97780e+06 >>1040 1040 7.23802 1.65345 (29His/42Trp)H 34Arg(Hgb/Hba/Hgb/Hba) None 8.52244e+06 >>1041 1041 7.21222 1.85871 42TrpHh2 11LysHd3 None 4.22832e+06 >>1042 1042 7.70287 1.59483 22LysH 22LysHgb None 4.81045e+06 >>1043 1043 7.23219 2.01712 (29His/42Trp)H 16ProHgb None 4.54531e+06 >>1044 1044 7.40263 2.01917 42TrpHd1 34ArgHbb None 4.37643e+06 >>1045 1045 7.06587 1.99862 45AsnHd2a 28GluHg* None 3.41074e+06 >>1046 1046 7.82504 2.55659 (10Phe/27Asn)H (24Cys/11Lys)(Hb*/Hd3) None 3.63885e+06 >>1047 1047 7.23781 3.13351 42TrpHh2 34ArgHda None 9.88604e+06 >>1048 1048 7.21562 3.20764 42TrpHh2 43CysHbb None 1.36408e+07 >>1049 1049 7.23780 3.27497 42TrpHh2 34ArgHdb None 6.13318e+06 >>1050 1050 7.09886 3.52544 19AsnHd2a 29HisHb* None 5.27508e+06 >>1051 1051 7.82610 4.10030 10PheH 8GlyHab None 3.27334e+06 >>1052 1052 7.10103 4.26971 19AsnHd2a 20CysHa None 4.43337e+06 >>1053 1053 7.76460 4.47671 9ThrH 9ThrHb None 5.37509e+06 >>1054 1054 7.09932 4.65980 19AsnHd2a 40ArgHa None 4.76817e+06 >>1055 1055 7.50057 6.79380 42TrpHz2 10PheHd* None 4.35549e+06 >>1056 1056 7.40836 6.93396 42TrpHd1 42TrpHe3 None 2.00416e+07 >>1057 1057 6.94641 7.18933 42TrpHe3 42TrpHh2 None 1.34911e+07 >>1058 1058 7.12651 7.67677 19AsnHd2a 19AsnHd2b None 3.51781e+07 >>1059 1059 7.01971 7.93700 28GluH 27AsnH None 1.35911e+08 >>1060 1060 6.92028 7.73312 5AsnHd2a 5AsnHd2b None 2.05812e+08 >>1061 1061 6.91755 6.82018 39PheHd* 19AsnH None 1.19072e+08 >>1062 1062 6.91966 4.32998 39PheHd* 18GlyHab None 1.23123e+07 >>1063 1063 6.97081 4.27525 28GluH 28GluHa None 1.15905e+07 >>1064 1064 6.77747 3.14642 21AsnHd2a 21AsnHbb None 2.97567e+06 >>1065 1065 6.91160 2.41782 5AsnHd2a 11LysHd3 None 3.96897e+06 >>1066 1066 6.97377 2.20957 42TrpHe3 4GluHga None 2.72779e+07 >>1067 1067 5.31070 8.87790 33GlyHab 34ArgH None 9.00039e+06 >>1068 1068 4.06327 9.25669 44ThrHb 45AsnH None 5.30605e+06 >>1069 1069 4.06596 9.12924 33GlyHaa 24CysH None 3.94253e+06 >>1070 1070 4.26920 8.90883 25ArgHa 26AsnH None 6.59656e+06 >>1071 1071 4.04914 8.28064 38AspHa 38AspH None 4.94212e+06 >>1072 1072 3.89500 7.77589 8GlyHaa 9ThrH None 4.58510e+06 >>1073 1073 4.26938 7.03535 28GluHa 28GluH None 6.16752e+06 >>1074 1074 4.32218 6.82319 (19Asn/18Gly)Ha 19AsnH None 3.80168e+06 >>1075 1075 4.04747 4.57098 33GlyHaa 32SerHa None 2.58380e+06 >>1076 1076 3.84239 4.11541 12GlyHaa 12GlyHab None 2.79150e+07 >>1077 1077 4.11903 3.86129 12GlyHab 12GlyHaa None 1.42436e+07 >>1078 1078 3.91080 1.80979 22LysHa 25ArgHbb None 4.13871e+06 >>1079 1079 3.90688 1.75128 22LysHa 22LysHd* None 3.92592e+06 >>1080 1080 4.11540 1.48652 24CysHa 25ArgHg2 None 3.97209e+06 >>1081 1081 4.16157 1.04391 1LysHa 2ThrHg2* None 3.69531e+06 >>1082 1082 4.05238 0.78566 44ThrHb 31LeuHda* None 5.64872e+06 >>1083 1083 3.12356 0.07614 6LeuHa 6LeuHda* None 4.56912e+06 >>1084 1084 3.25549 2.01579 34ArgHdb 34ArgHbb None 3.65471e+06 >>1085 1085 2.97082 2.85455 46ArgHdb 46ArgHda None 9.31610e+07 >>1086 1086 3.24473 3.04200 25ArgHdb 25ArgHda None 8.53227e+07 >>1087 1087 3.12093 7.25259 34ArgHda 42TrpHh2 None 5.54574e+06 >>1088 1088 3.13356 7.78541 21AsnHbb 21AsnHd2b None 6.11540e+06 >>1089 1089 2.84556 8.80540 39PheHbb 36ArgH None 6.03496e+06 >>1090 1090 2.75792 8.73703 3CysHba 4GluH None 4.49046e+06 >>1091 1091 2.79569 8.42594 20CysHbb 40ArgH None 8.27943e+06 >>1092 1092 1.78821 8.28361 37AspHb* 38AspH None 1.25562e+07 >>1093 1093 1.79173 7.93477 36ArgHba 39PheH None 5.62947e+06 >>1094 1094 2.83875 7.07786 42TrpHb3 42TrpHz3 None 4.97665e+06 >>1095 1095 2.19743 7.03708 4GluHga 45AsnHd2a None 5.60613e+06 >>1096 1096 2.62677 6.80637 20CysHba 21AsnHd2a None 3.29768e+06 >>1097 1097 2.06521 3.57068 13ProHgb 13ProHda None 4.26755e+06 >>1098 1098 2.00849 3.62913 13ProHga 13ProHdb None 3.15810e+06 >>1099 1099 2.03090 3.52949 {*}(Hbb/Hbb/Hg*) {*}Hb* None 5.49165e+06 >>1100 1100 1.90524 3.24048 30LeuHbb 43CysHbb None 4.76774e+06 >>1101 1101 1.83631 3.20781 36ArgHgb 36ArgHda None 1.07851e+07 >>1102 1102 1.83477 3.24622 36Arg(Hba/Hgb) 36ArgHda None 9.77125e+06 >>1103 1103 2.40179 2.75349 10PheHba 10PheHbb None 2.82152e+07 >>1104 1104 2.74268 2.42555 10PheHbb 10PheHba None 3.41463e+07 >>1105 1105 2.97021 1.90619 46ArgHdb 46ArgHbb None 7.02211e+06 >>1106 1106 0.15253 0.43904 6LeuHda* 6LeuHg None 8.68253e+06 >>1107 1107 1.30058 0.81228 46ArgHga 31LeuHda* None 6.79497e+06 >>1108 1108 0.96692 1.28168 15IleHg2* 15IleHg1b None 1.08959e+07 >>1109 1109 0.46100 2.01114 6LeuHg 34ArgHbb None 3.71979e+06 >>1110 1110 1.70192 3.26657 31LeuHg (25Arg/43Cys)(Hdb/Hbb) None 4.10816e+06 >>1111 1111 0.85716 4.18556 31LeuHdb* 31LeuHa None 5.64268e+07 >>1112 1112 1.16771 4.48137 9ThrHg2* 9ThrHb None 2.23176e+07 >>1113 1113 1.54374 4.91166 34ArgHga 41CysHa None 3.46297e+06 >>1114 1114 1.48770 7.72343 22LysHga 22LysH None 7.56925e+06 >>1115 1115 1.58156 7.72267 11LysHbb 11LysH None 4.58987e+06 >>1116 1116 0.77685 7.62932 31LeuHda* 45AsnHd2b None 4.04002e+06 >>1117 1117 1.50436 8.44719 1LysHg* 2ThrH None 6.22058e+06 >>1118 1118 4.17180 7.56492 31LeuHa 32SerH None 3.92034e+06 >>1119 1119 4.10294 7.56070 32SerHbb 32SerH None 4.43825e+06 >>1120 1120 4.08870 4.39408 24CysHa 29HisHa None 8.08444e+06 >>1121 1121 4.10188 1.41708 32SerHbb 31LeuHba None 3.73704e+06 >>1122 1122 7.96377 6.98721 27AsnH 27AsnHd2a None 2.76207e+07 >>1123 1123 1.30074 1.61807 46ArgHga 46ArgHgb None 1.43040e+07 >>1124 1124 7.76130 4.09103 9ThrH 8GlyHab None 4.61022e+06 >>1125 1125 4.76766 0.08023 42TrpHa 6LeuHda* None 4.21575e+06 >>1126 1126 7.02733 2.41809 {*}H (11Lys/10Phe)(Hd3/Hba) None 4.90085e+06 >>1127 1127 9.00510 9.25631 44ThrH 45AsnH None 6.66572e+06 >>1128 1128 3.58266 9.17829 29HisHb2 24CysH None 5.83387e+06 >>1129 1129 2.98362 4.71840 14CysHba 14CysHa None 6.62892e+05 >>1130 1130 2.98534 8.80380 14CysHba 36ArgH None 6.65590e+06 >>1131 1131 3.37025 8.79693 14CysHbb 36ArgH None 2.89183e+06 >>1132 1132 7.80088 3.36115 {*}H (36Arg/14Cys)(Hdb/Hbb) None 4.13282e+06 >>1133 1133 3.01950 8.56647 25ArgHda None None 7.46953e+06 >>1134 1134 7.31402 3.04438 29HisH 25ArgHda None 4.19919e+06 >>1135 1135 8.37011 4.06501 20CysH 33GlyHaa None 3.68369e+06 >>1136 1136 8.37756 2.64328 20CysH 19AsnHba None 3.70947e+06 >>1137 1137 8.02811 7.04460 None 28GluH None 3.40313e+06 >>1138 1138 4.04250 8.42951 44ThrHb 2ThrH None 3.23195e+06 >>1139 1139 4.04473 1.43181 44ThrHb 31LeuHba None 3.45597e+06 >>1140 1140 4.62064 2.63238 {*}Ha {*}Hb* None 3.93322e+06 >>1141 1141 6.77970 3.04544 21AsnHd2a 25ArgHda None 4.42477e+06 >>1142 1142 8.52242 8.80602 (21Asn/18Gly)H 36ArgH None 3.41557e+06 >>1143 1143 1.67665 8.78359 41CysHba 36ArgH None 5.48163e+06 >>1144 1144 2.26498 8.96491 4GluHgb 5AsnH None 3.49270e+06 >>1145 1145 1.97926 6.98860 22LysHb3 26AsnHd2a None 6.65508e+06 >>1146 1146 1.97153 7.03686 (22Lys/28Glu)(Hb*/Hg2) {*}(Hd2a/H/H/Hd2a) None 2.97374e+06 >>1147 1147 9.00207 7.63320 (44Thr/33Gly)H (26Asn/29His)(Hd2b/H) None 4.50326e+06 >>1148 1148 9.00415 5.54394 44ThrH 4GluHa None 9.24599e+06 >>1149 1149 8.78906 1.26212 36ArgH 15IleHg1b None 4.46782e+06 >>1150 1150 8.85686 2.94227 34ArgH 43CysHba None 3.01630e+06 >>1151 1151 4.47337 3.52881 7SerHa 7SerHba None 5.02358e+06 >>1152 1152 3.90755 7.84549 22LysHa 25ArgH None 3.63656e+06 >>1153 1153 5.51292 8.74157 4GluHa 4GluH None 3.07775e+06 >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 HN . . 12 ppm . . . 4.7 . . 30561 1 >> 2 . . C 13 CA . . 80 ppm . . . 38 . . 30561 1 >> 3 . . N 15 HN . . 40 ppm . . . 118 . . 30561 1 >> >> stop_ >> >>save_ >> ; save_