********************************************************************************* The following is a list of sample CONTRAST input spectrum and sequence files. The first spectrum file is contains comments and a brief description of some of the fields in the header of a typical spectrum file. Example are included for: HNCA, HNCO, HN(CO)CA, HNCACB, HN(CO)CACB, TOCSY-HMQC, NOESY-HMQC, HCACO, HCCH-COSY, HCCH-TOCSY, COSY, TOCSY, and NOESY experiments as well as for a typical CONTRAST sequence file. ********************************************************************************* hnca ** Spectrum name 3 13 (90%) ** 3 dimensions, 13 peaks, estimated 90% of expected peaks present comment 30 ** Maximum of 30 characters in each peak's comment string Hn Hni .01 Hni (90) Hni (60) ** Dim 1: label, symbol, resolution, cor 1 (prob 1), cor 2 (prob 2), ... N Nai .10 Nai (90) Nai (60) ** Dim 2: label, symbol, resolution, cor 1 (prob 1), cor 2 (prob 2), ... Ca Ca* .10 Cai (90) Ca- (60) ** Dim 3: label, symbol, resolution, cor 1 (prob 1), cor 2 (prob 2), ... ** ** Spectrum Comment Section ** 7.600 114.00 60.20 100 * A1Cai ** Peak 1: dim 1, dim 2, dim 3, intensity, * comment 7.600 114.00 50.20 10 * A1Ca- ** Peak 1: dim 1, dim 2, dim 3, intensity, * comment 7.910 114.96 49.00 200 * L2Cai ** Peak 1: dim 1, dim 2, dim 3, intensity, * comment 7.910 114.96 60.20 20 * L2Ca- ** Peak 1: dim 1, dim 2, dim 3, intensity, * comment 8.412 116.00 55.00 300 * A3Cai ** Peak 1: dim 1, dim 2, dim 3, intensity, * comment 8.412 116.00 49.00 30 * A3Ca- ** Peak 1: dim 1, dim 2, dim 3, intensity, * comment 8.695 116.21 57.30 400 * K4Cai ** Peak 1: dim 1, dim 2, dim 3, intensity, * comment 8.695 116.21 55.00 40 * K4Ca- ** Peak 1: dim 1, dim 2, dim 3, intensity, * comment 8.810 117.08 43.20 500 * G5Cai ** Peak 1: dim 1, dim 2, dim 3, intensity, * comment 8.810 117.08 57.30 50 * G5Ca- ** Peak 1: dim 1, dim 2, dim 3, intensity, * comment 8.900 117.09 40.00 600 * L6Cai ** Peak 1: dim 1, dim 2, dim 3, intensity, * comment 8.900 117.09 43.20 60 * L6Ca- ** Peak 1: dim 1, dim 2, dim 3, intensity, * comment 10.00 100.00 100.0 100 * noise ** Peak 1: dim 1, dim 2, dim 3, intensity, * comment **Rules and Terms: ** Comment: Text that follows an asterisk or double asterisk is an optional text comment. ** Parenthesis: All fields in parenthesis are optional. ** Dimension labels: Can be up to 50 characters in length and can contain no whitespace. ** Whitespace: Fields are delimited by either spaces or tabs. ** Symbols: Define the type of resonance(s) for a dimension or correlation. ** (Hn-) (Ha-) (Hni) (Hai) (Hn+) (Ha+) ** | | | | | | ** (Na-)-(Ca-)-(Co-)--(Nai)-(Cai)-(Coi)--(Na+)-(Ca+)-(Co+) ** | | | ** (Hb-)-(Cb-)-(Hb-) (Hbi)-(Cbi)-(Hbi) (Hb+)-(Cb+)-(Hb+) ** Character 1: H = proton ** N = nitrogen ** C = carbon ** O = oxygen ** P = phosphorous ** Q = resonance that can't match another resonance ** X = all types of resonances ** Character 2: a = alpha position ** b = beta position ** g = gamma position ** d = delta position ** e = epsilon position ** z = zeta position ** n = attached to nitrogen ** o = attached to oxygen ** c = attacked to carbon ** k = backbone resonance ** s = sidechain resonance ** x = any position ** Character 3: i = i'th residue ** + = i+1'th residue ** - = i-1'th residue ** * = any residue ** Character 4: 1,2,3,...,9 The position number. ** Resolution: The resolution of the experiment in that dimension. ** Correlations: (Abbrev. cor) Defines the types of peaks expected for that experiment. ** NOTE: A correlation is listed going down the dimension list. ** Probability: (Abbrev. prob) The estimated probability that a correlation will be present. ***************************************************************************************** hnco 3 6 (90) comment str 20 Hn Hni .01 Hni (90) N Nai .10 Nai (90) CO Co- .10 Co- (90) ** ** Section for spectral information and comments... ** 7.600 114.00 180.00 100 * A1 7.910 114.96 181.02 200 * L2 8.412 116.00 175.09 300 * A3 8.695 116.21 177.91 400 * K4 8.810 117.08 179.01 500 * G5 8.900 117.09 179.07 600 * L6 ***************************************************************************************** hncoca 3 7 (90) com 20 Hn Hni .01 Hni N Nai .1 Nai Ca Ca- .1 Ca- 7.61 114.01 50.20 100 * A1Ca- 7.90 114.99 60.25 200 * L2Ca- 8.41 116.05 49.05 300 * A3Ca- 8.69 116.17 54.95 400 * K4Ca- 8.81 117.00 57.30 500 * G5Ca- 8.89 117.07 43.22 600 * L6Ca- 7.90 115.00 60.35 200 * noise ***************************************************************************************** hncacb 3 12 (90%) com 40 Hn Hni .01 Hni (90) Hni (60) Hni (40) Hni (20) N Nai .1 Nai (90) Nai (60) Nai (40) Nai (20) Cab Cxi .1 Cai (90) Cbi (60) Ca- (40) Cb- (20) 7.6 114.00 60.20 100 * A1Cai 7.6 114.00 20.00 10 * A1Cbi 7.91 114.96 49.00 200 * L2Cai 7.91 114.96 44.00 20 * L2Cbi 8.412 116.00 55.00 300 * A3Cai 8.412 116.00 22.00 30 * A3Cbi 8.695 116.21 57.30 400 * K4Cai 8.695 116.21 33.00 40 * K4Cbi 8.81 117.08 43.20 500 * G5Cai 8.9 117.09 40.00 600 * L6Cai 8.9 117.09 45.00 60 * L6Cbi 10.0 100.00 100.0 100 * noise ***************************************************************************************** hncocacb 3 16 (90) com 20 Hn Hni .01 Hni N Nai .1 Nai Cab Cx- .1 Ca- (90) Cb- (50) 7.61 114.02 50.2 100 * A1Ca- 7.61 114.02 20.0 10 * A1Cb- 7.9 114.99 60.25 200 * L2Ca- 7.9 114.99 20.05 20 * L2Cb- 8.41 116.05 49.05 300 * A3Ca- 8.41 116.05 44.05 30 * A3Cb- 8.69 116.17 54.95 400 * K4Ca- 8.69 116.17 22.00 40 * K4Cb- 8.81 117.00 57.30 500 * G5Ca- 8.81 117.00 33.00 50 * G5Cb- 8.89 117.07 43.22 600 * L6Ca- 7.9 115.00 60.35 200 * noise ***************************************************************************************** HN_tocsy 3 27 (90) com 20 Hn Hni .01 Hni N Nai .10 Nai H Hxi .01 Hai (90) Hbi (50) Hgi (30) Hdi (20) Hei (20) 7.6 114.00 4.5 100 * A1Ha1 7.6 114.00 1.4 100 * A1Hb1 7.91 114.96 4.0 200 * L2Ha1 7.91 114.96 1.8 200 * L2Hb1 7.91 114.96 1.9 200 * L2Hb2 7.91 114.96 1.5 200 * L2Hg1 7.91 114.96 0.6 200 * L2Hd1 7.91 114.96 0.7 200 * L2Hd2 8.412 116.00 3.5 100 * A3Ha1 8.412 116.00 1.5 100 * A3Hb1 8.7 116.21 4.2 400 * K4Ha1 8.7 116.21 1.7 400 * K4Hb1 8.7 116.21 1.75 400 * K4Hb2 8.7 116.21 1.4 400 * K4Hg1 8.7 116.21 1.45 400 * K4Hg2 8.7 116.21 1.6 400 * K4Hd1 8.7 116.21 1.65 400 * K4Hd2 8.7 116.21 2.9 400 * K4He1 8.7 116.21 2.95 400 * K4He2 8.81 117.08 4.3 500 * G5HaHb 8.81 117.08 4.4 500 * G5HaHb 8.9 117.09 4.4 600 * L6Ha1 8.9 117.09 1.7 600 * L6Hb1 8.9 117.09 1.73 600 * L6Hb2 8.9 117.09 1.6 600 * L6Hg1 8.9 117.09 0.5 600 * L6Hd1 8.9 117.09 0.3 600 * L6Hd2 ***************************************************************************************** hcaco 3 7 (80) com 12 Ha Hai .01 Hai (80) Ca Cai .1 Cai (80) CO Coi .1 Coi (80) 4.5 60.2 181.00 100 * A1Ha1CaCoi 4.0 49.0 175.09 200 * L2Ha1CaCoi 3.5 55.0 177.91 300 * A3Ha1CaCoi 4.2 57.3 179.01 400 * K4Ha1CaCoi 4.3 43.2 179.07 500 * G5Ha1CaCoi 4.4 43.2 179.07 500 * G5Ha2CaCoi 4.4 40.0 180.00 600 * L6Ha1CaCoi ***************************************************************************************** HN_noesy 3 7 (70) comment str 40 Hn Hni .01 Hni (90) Hni (50) Hni (30) Hni (20) Hni (10) N Nai .10 Nai (90) Nai (50) Nai (30) Nai (20) Nai (10) Hx Hx* .01 Ha* (90) Hb* (50) Hg* (30) Hd* (20) He* (10) 7.6 114.0 8.2 100 * A1noe 7.6 114.0 4.5 100 * A1 7.6 114.0 4.2 100 * A1noe 7.6 114.0 2.2 100 * A1noe 7.6 114.0 2.5 100 * A1 7.6 114.0 1.2 100 * A1noe 7.6 114.0 1.5 100 * A1 ***************************************************************************************** hcch_cosy 3 67 (75) comment string length 20 Hc Hci .01 Hai (75) Hbi (75) Hbi (50) Hgi (50) Hgi (30) Hdi (30) Hdi (30) Hei (30) C Cxi .1 Cai (75) Cbi (75) Cbi (50) Cgi (50) Cgi (30) Cdi (30) Cdi (30) Cei (30) H Hci .01 Hbi (75) Hai (75) Hgi (50) Hbi (50) Hdi (30) Hgi (30) Hei (30) Hdi (30) 4.5 60.2 1.4 1 * A1HaCaiHb 1.4 20.0 4.5 1 * A1HbCbiHa 4.0 49.0 1.8 1 * L2HaCaiHb1 4.0 49.0 1.9 1 * L2HaCaiHb2 1.8 44.0 4.0 1 * L2Hb1CbiHa 1.8 44.0 1.9 1 * L2Hb1CbiHb2 1.8 44.0 1.5 1 * L2Hb1CbiHg 1.9 44.0 4.0 1 * L2Hb2CbiHa 1.9 44.0 1.8 1 * L2Hb2CbiHb1 1.9 44.0 1.5 1 * L2Hb2CbiHg 1.5 23.0 1.8 1 * L2HgCgHb1 1.5 23.0 1.9 1 * L2HgCgHb2 1.5 23.0 0.6 1 * L2HgCgHd1 1.5 23.0 0.7 1 * L2HgCgHd2 0.6 24.0 1.5 1 * L2Hd1Cd1Hg 0.7 25.0 1.5 1 * L2Hd2Cd2Hg 3.5 55.0 1.5 1 * A3HaCaiHb 1.5 22.0 3.5 1 * A3HbCbiHa 4.2 57.3 1.7 1 * K4HaCaiHb1 4.2 57.3 1.75 1 * K4HaCaiHb2 1.7 33.0 4.2 1 * K4Hb1CbiHa 1.7 33.0 1.75 1 * K4Hb1CbiHb2 1.7 33.0 1.4 1 * K4Hb1CbiHg1 1.7 33.0 1.45 1 * K4Hb1CbiHg2 1.75 33.0 4.2 1 * K4Hb2CbiHa 1.75 33.0 1.7 1 * K4Hb2CbiHb1 1.75 33.0 1.4 1 * K4Hb2CbiHg1 1.75 33.0 1.45 1 * K4Hb2CbiHg2 1.4 22.0 1.7 1 * K4Hg1CgHb1 1.4 22.0 1.75 1 * K4Hg1CgHb2 1.4 22.0 1.45 1 * K4Hg2CgHg2 1.4 22.0 1.6 1 * K4Hg1CgHd1 1.4 22.0 1.65 1 * K4Hg1CgHd2 1.45 22.0 1.7 1 * K4Hg2CgHb1 1.45 22.0 1.75 1 * K4Hg2CgHb2 1.45 22.0 1.4 1 * K4Hg2CgHg1 1.45 22.0 1.6 1 * K4Hg2CgHd1 1.45 22.0 1.65 1 * K4Hg2CgHd2 1.6 30.0 1.4 1 * K4Hd1CdHg1 1.6 30.0 1.45 1 * K4Hd1CdHg2 1.6 30.0 1.65 1 * K4Hd1CdHd2 1.6 30.0 2.9 1 * K4Hd1CdHe1 1.6 30.0 2.95 1 * K4Hd1CdHe2 1.65 30.0 1.4 1 * K4Hd2CdHg1 1.65 30.0 1.45 1 * K4Hd2CdHg2 1.65 30.0 1.6 1 * K4Hd2CdHd1 1.65 30.0 2.9 1 * K4Hd2CdHe1 1.65 30.0 2.95 1 * K4Hd2CdHe2 2.9 42.0 1.6 1 * K4He1CeHd1 2.9 42.0 1.65 1 * K4He1CeHd2 2.9 42.0 2.95 1 * K4He1CeHe2 4.3 43.2 4.4 1 * G5HaCaiHaHb 4.4 43.2 4.3 1 * G5HaCaiHaHb 4.4 40.0 1.7 1 * L6HaCaiHb1 4.4 40.0 1.73 1 * L6HaCaiHb2 1.7 45.0 4.4 1 * L6Hb1CbiHa 1.7 45.0 1.73 1 * L6Hb1CbiHb2 1.7 45.0 1.6 1 * L6Hb1CbiHg 1.73 45.0 4.4 1 * L6Hb2CbiHa 1.73 45.0 1.7 1 * L6Hb2CbiHb1 1.73 45.0 1.6 1 * L6Hb2CbiHg 1.6 27.0 1.7 1 * L6HgCgHb1 1.6 27.0 1.73 1 * L6HgCgHb2 1.6 27.0 0.5 1 * L6HgCgHd1 1.6 27.0 0.3 1 * L6HgCgHd2 0.5 24.0 1.6 1 * L6Hd1Cd1Hg 0.3 22.5 1.6 1 * L6Hd2Cd2Hg ***************************************************************************************** hcch_tocsy 3 138 (70) com 60 Hc Hci .01 Hai (70) Hai (45) Hai (24) Hai (8) Hbi (70) Hbi (45) Hbi (24) Hbi (8) Hgi (45) Hgi (45) Hgi (20) Hgi (20) Hdi (24) Hdi (24) Hdi (20) Hdi (20) Hei (8) Hei (8) Hei (20) Hei (20) C Cxi .1 Cai (70) Cai (45) Cai (24) Cai (8) Cbi (70) Cbi (45) Cbi (24) Cbi (8) Cgi (45) Cgi (45) Cgi (20) Cgi (20) Cdi (24) Cdi (24) Cdi (20) Cdi (20) Cei (8) Cei (8) Cei (20) Cei (20) H Hci .01 Hbi (70) Hgi (45) Hdi (24) Hei (8) Hai (70) Hgi (45) Hdi (24) Hei (8) Hai (45) Hbi (45) Hdi (20) Hei (20) Hai (24) Hbi (24) Hgi (20) Hei (20) Hai (8) Hbi (8) Hgi (20) Hdi (20) 4.5 60.2 1.4 1 * A1HaCaiHb 1.4 20.0 4.5 1 * A1HbCbiHa 4.0 49.0 1.8 1 * L2HaCaiHb1 4.0 49.0 1.9 1 * L2HaCaiHb2 4.0 49.0 1.5 1 * L2HaCaiHg1 4.0 49.0 0.6 1 * L2HaCaiHd1 4.0 49.0 0.7 1 * L2HaCaiHd2 1.8 44.0 4.0 1 * L2Hb1CbiHa 1.8 44.0 1.9 1 * L2Hb1CbiHb2 1.8 44.0 1.5 1 * L2Hb1CbiHg 1.8 44.0 0.6 1 * L2Hb1CbiHd1 1.8 44.0 0.7 1 * L2Hb1CbiHd2 1.9 44.0 4.0 1 * L2Hb2CbiHa 1.9 44.0 1.8 1 * L2Hb2CbiHb1 1.9 44.0 1.5 1 * L2Hb2CbiHg 1.9 44.0 0.6 1 * L2Hb2CbiHd1 1.9 44.0 0.7 1 * L2Hb2CbiHd2 1.5 23.0 4.0 1 * L2HgCgHa 1.5 23.0 1.8 1 * L2HgCgHb1 1.5 23.0 1.9 1 * L2HgCgHb2 1.5 23.0 0.6 1 * L2HgCgHd1 1.5 23.0 0.7 1 * L2HgCgHd2 0.6 24.0 4.0 1 * L2Hd1Cd1Ha 0.6 24.0 1.8 1 * L2Hd1Cd1Hb1 0.6 24.0 1.9 1 * L2Hd1Cd1Hb2 0.6 24.0 1.5 1 * L2Hd1Cd1Hg 0.6 24.0 0.7 1 * L2Hd1Cd1Hd2 0.7 25.0 4.0 1 * L2Hd2Cd2Ha 0.7 25.0 1.8 1 * L2Hd2Cd2Hb1 0.7 25.0 1.9 1 * L2Hd2Cd2Hb2 0.7 25.0 1.5 1 * L2Hd2Cd2Hg 0.7 25.0 0.6 1 * L2Hd2Cd2Hd1 3.5 55.0 1.5 1 * A3HaCaiHb 1.5 22.0 3.5 1 * A3HbCbiHa 4.2 57.3 1.7 1 * K4HaCaiHb1 4.2 57.3 1.75 1 * K4HaCaiHb2 4.2 57.3 1.4 1 * K4HaCaiHg1 4.2 57.3 1.45 1 * K4HaCaiHg2 4.2 57.3 1.6 1 * K4HaCaiHd1 4.2 57.3 1.65 1 * K4HaCaiHd2 4.2 57.3 2.9 1 * K4HaCaiHe1 4.2 57.3 2.95 1 * K4HaCaiHe2 1.7 33.0 4.2 1 * K4Hb1CbiHa 1.7 33.0 1.75 1 * K4Hb1CbiHb2 1.7 33.0 1.4 1 * K4Hb1CbiHg1 1.7 33.0 1.45 1 * K4Hb1CbiHg2 1.7 33.0 1.6 1 * K4Hb1CbiHd1 1.7 33.0 1.65 1 * K4Hb1CbiHd2 1.7 33.0 2.9 1 * K4Hb1CbiHe1 1.7 33.0 2.95 1 * K4Hb1CbiHe2 1.75 33.0 4.2 1 * K4Hb2CbiHa 1.75 33.0 1.7 1 * K4Hb2CbiHb1 1.75 33.0 1.4 1 * K4Hb2CbiHg1 1.75 33.0 1.45 1 * K4Hb2CbiHg2 1.75 33.0 1.6 1 * K4Hb2CbiHd1 1.75 33.0 1.65 1 * K4Hb2CbiHd2 1.75 33.0 2.9 1 * K4Hb2CbiHe1 1.75 33.0 2.95 1 * K4Hb2CbiHe2 1.4 22.0 4.2 1 * K4Hg1CgHa 1.4 22.0 1.7 1 * K4Hg1CgHb1 1.4 22.0 1.75 1 * K4Hg1CgHb2 1.4 22.0 1.45 1 * K4Hg1CgHg2 1.4 22.0 1.6 1 * K4Hg1CgHd1 1.4 22.0 1.65 1 * K4Hg1CgHd2 1.4 22.0 2.9 1 * K4Hg1CgHe1 1.4 22.0 2.95 1 * K4Hg1CgHe2 1.45 22.0 4.2 1 * K4Hg2CgHa 1.45 22.0 1.7 1 * K4Hg2CgHb1 1.45 22.0 1.75 1 * K4Hg2CgHb2 1.45 22.0 1.4 1 * K4Hg2CgHg1 1.45 22.0 1.6 1 * K4Hg2CgHd1 1.45 22.0 1.65 1 * K4Hg2CgHd2 1.45 22.0 2.9 1 * K4Hg2CgHe1 1.45 22.0 2.95 1 * K4Hg2CgHe2 1.6 30.0 4.2 1 * K4Hd1CdHa 1.6 30.0 1.7 1 * K4Hd1CdHb1 1.6 30.0 1.75 1 * K4Hd1CdHb2 1.6 30.0 1.4 1 * K4Hd1CdHg1 1.6 30.0 1.45 1 * K4Hd1CdHg2 1.6 30.0 1.65 1 * K4Hd1CdHd2 1.6 30.0 2.9 1 * K4Hd1CdHe1 1.6 30.0 2.95 1 * K4Hd1CdHe2 1.65 30.0 4.2 1 * K4Hd2CdHa 1.65 30.0 1.7 1 * K4Hd2CdHb1 1.65 30.0 1.75 1 * K4Hd2CdHb2 1.65 30.0 1.4 1 * K4Hd2CdHg1 1.65 30.0 1.45 1 * K4Hd2CdHg2 1.65 30.0 1.6 1 * K4Hd2CdHd1 1.65 30.0 2.9 1 * K4Hd2CdHe1 1.65 30.0 2.95 1 * K4Hd2CdHe2 2.9 42.0 4.2 1 * K4He1CeHa 2.9 42.0 1.7 1 * K4He1CeHb1 2.9 42.0 1.75 1 * K4He1CeHb2 2.9 42.0 1.4 1 * K4He1CeHg1 2.9 42.0 1.45 1 * K4He1CeHg2 2.9 42.0 1.6 1 * K4He1CeHd1 2.9 42.0 1.65 1 * K4He1CeHd2 2.9 42.0 2.95 1 * K4He1CeHe2 2.95 42.0 4.2 1 * K4He2CeHa 2.95 42.0 1.7 1 * K4He2CeHb1 2.95 42.0 1.75 1 * K4He2CeHb2 2.95 42.0 1.4 1 * K4He2CeHg1 2.95 42.0 1.45 1 * K4He2CeHg2 2.95 42.0 1.6 1 * K4He2CeHd1 2.95 42.0 1.65 1 * K4He2CeHd2 2.95 42.0 2.9 1 * K4He2CeHe1 4.3 43.2 4.4 1 * G5HaCaiHaHb 4.4 43.2 4.3 1 * G5HaCaiHaHb 4.4 40.0 1.7 1 * L6HaCaiHb1 4.4 40.0 1.73 1 * L6HaCaiHb2 4.4 40.0 1.6 1 * L6HaCaiHg 4.4 40.0 0.5 1 * L6HaCaiHd1 4.4 40.0 0.3 1 * L6HaCaiHd2 1.7 45.0 4.4 1 * L6Hb1CbiHa 1.7 45.0 1.73 1 * L6Hb1CbiHb2 1.7 45.0 1.6 1 * L6Hb1CbiHg 1.7 45.0 0.5 1 * L6Hb1CbiHd1 1.7 45.0 0.3 1 * L6Hb1CbiHd2 1.73 45.0 4.4 1 * L6Hb2CbiHa 1.73 45.0 1.7 1 * L6Hb2CbiHb1 1.73 45.0 1.6 1 * L6Hb2CbiHg 1.73 45.0 0.5 1 * L6Hb2CbiHd1 1.73 45.0 0.3 1 * L6Hb2CbiHd2 1.6 27.0 4.4 1 * L6HgCgHa 1.6 27.0 1.7 1 * L6HgCgHb1 1.6 27.0 1.75 1 * L6HgCgHb2 1.6 27.0 0.5 1 * L6HgCgHd1 1.6 27.0 0.3 1 * L6HgCgHd2 0.5 24.0 4.4 1 * L6Hd1Cd1Ha 0.5 24.0 1.7 1 * L6Hd1Cd1Hb1 0.5 24.0 1.75 1 * L6Hd1Cd1Hb2 0.5 24.0 1.6 1 * L6Hd1Cd1Hg 0.5 24.0 0.3 1 * L6Hd1Cd1Hd2 0.3 22.5 4.4 1 * L6Hd2Cd2Ha 0.3 22.5 1.7 1 * L6Hd2Cd2Hb1 0.3 22.5 1.75 1 * L6Hd2Cd2Hb2 0.3 22.5 1.6 1 * L6Hd2Cd2Hg 0.3 22.5 0.5 1 * L6Hd2Cd2Hd1 ***************************************************************************************** cosy 2 24 (95) com 20 H1 Hxi .01 Hni (95) Hai (95) Hai (80) Hbi (80) Hbi (50) Hgi (50) Hgi (40) Hdi (40) Hdi (40) Hei (40) H2 Hxi .01 Hai (95) Hni (95) Hbi (80) Hai (80) Hgi (50) Hbi (50) Hdi (40) Hgi (40) Hei (40) Hdi (40) 7.6 4.5 100 * A1 4.5 1.4 100 * A1 7.9 4.0 100 * L2 4.0 1.8 100 * L2 4.0 1.9 100 * L2 1.8 1.5 100 * L2 1.9 1.5 100 * L2 1.5 0.6 100 * L2 1.5 0.7 100 * L2 8.4 3.5 100 * A3 3.5 1.5 100 * A3 8.7 4.2 100 * K4 4.2 1.7 100 * K4 1.7 1.4 100 * K4 1.4 1.6 100 * K4 1.6 2.9 100 * K4 8.8 4.3 100 * G5 8.8 4.4 100 * G5 4.4 4.3 100 * G5 8.9 4.4 100 * L6 4.4 1.7 100 * L6 1.7 1.6 100 * L6 1.6 0.5 100 * L6 1.6 0.3 100 * L6 ***************************************************************************************** tocsy 2 60 (95) com 20 H1 Hxi .01 Hni (95) Hni (70) Hni (40) Hni (20) Hni (20) Hai (95) Hai (80) Hai (40) Hai (20) Hai (20) Hbi (70) Hbi (80) Hbi (40) Hbi (20) Hbi (20) Hgi (40) Hgi (40) Hgi (40) Hgi (30) Hgi (30) Hdi (20) Hdi (20) Hdi (20) Hdi (30) Hdi (30) Hei (20) Hei (20) Hei (20) Hei (30) Hei (30) H2 Hxi .01 Hai (95) Hbi (70) Hgi (40) Hdi (20) Hei (20) Hni (95) Hbi (80) Hgi (40) Hdi (20) Hei (20) Hni (70) Hai (80) Hgi (40) Hdi (20) Hei (20) Hni (40) Hai (40) Hbi (40) Hdi (30) Hei (30) Hni (20) Hai (20) Hbi (20) Hgi (30) Hei (30) Hni (20) Hai (20) Hbi (20) Hgi (30) Hdi (30) 7.6 4.5 100 * A1 7.6 1.4 100 * A1 4.5 1.4 100 * A1 7.9 4.0 100 * L2 7.9 1.8 100 * L2 7.9 1.9 100 * L2 7.9 1.5 100 * L2 7.9 0.6 100 * L2 7.9 0.7 100 * L2 4.0 1.8 100 * L2 4.0 1.9 100 * L2 4.0 1.5 100 * L2 4.0 0.6 100 * L2 4.0 0.7 100 * L2 1.8 1.9 100 * L2 1.8 1.5 100 * L2 1.8 0.6 100 * L2 1.8 0.7 100 * L2 1.9 1.5 100 * L2 1.9 0.6 100 * L2 1.9 0.7 100 * L2 1.5 0.6 100 * L2 1.5 0.7 100 * L2 0.6 0.7 100 * L2 8.4 3.5 100 * A3 8.4 1.5 100 * A3 3.5 1.5 100 * A3 8.7 4.2 100 * K4 8.7 1.7 100 * K4 8.7 1.4 100 * K4 8.7 1.6 100 * K4 8.7 2.9 100 * K4 4.2 1.7 100 * K4 4.2 1.4 100 * K4 4.2 1.6 100 * K4 4.2 2.9 100 * K4 1.7 1.4 100 * K4 1.7 1.6 100 * K4 1.7 2.9 100 * K4 1.4 1.6 100 * K4 1.4 2.9 100 * K4 1.6 2.9 100 * K4 8.8 4.3 100 * G5 8.8 4.4 100 * G5 4.4 4.3 100 * G5 8.9 4.4 100 * L6 8.9 1.7 100 * L6 8.9 1.6 100 * L6 8.9 0.5 100 * L6 8.9 0.3 100 * L6 4.4 1.7 100 * L6 4.4 1.6 100 * L6 4.4 0.5 100 * L6 4.4 0.3 100 * L6 1.7 1.6 100 * L6 1.7 0.5 100 * L6 1.7 0.3 100 * L6 1.6 0.5 100 * L6 1.6 0.3 100 * L6 0.5 0.3 100 * L6 ***************************************************************************************** noesy 2 65 (75) com 20 H1 Hx* .01 Hn* (75) Hn* (50) Hn* (10) Hn* (5) Hn* (5) Ha* (75) Ha* (60) Ha* (20) Ha* (5) Ha* (5) Hb* (50) Hb* (60) Hb* (40) Hb* (10) Hb* (10) Hg* (10) Hg* (20) Hg* (40) Hg* (15) Hg* (10) Hd* (5) Hd* (5) Hd* (10) Hd* (15) Hd* (15) He* (5) He* (5) He* (10) He* (10) He* (15) H2 Hx* .01 Ha* (75) Hb* (50) Hg* (10) Hd* (5) He* (5) Hn* (75) Hb* (60) Hg* (20) Hd* (5) He* (5) Hn* (50) Ha* (60) Hg* (40) Hd* (10) He* (10) Hn* (10) Ha* (20) Hb* (40) Hd* (15) He* (10) Hn* (5) Ha* (5) Hb* (10) Hg* (15) He* (15) Hn* (5) Ha* (5) Hb* (10) Hg* (10) Hd* (15) 7.6 4.5 100 * A1 7.6 1.4 100 * A1 4.5 1.4 100 * A1 7.6 7.9 100 * A1-L2 7.9 4.0 100 * L2 7.9 1.8 100 * L2 7.9 1.9 100 * L2 7.9 1.5 100 * L2 7.9 0.6 100 * L2 7.9 0.7 100 * L2 4.0 1.8 100 * L2 4.0 1.9 100 * L2 4.0 1.5 100 * L2 4.0 0.6 100 * L2 4.0 0.7 100 * L2 1.8 1.9 100 * L2 1.8 1.5 100 * L2 1.8 0.6 100 * L2 1.8 0.7 100 * L2 1.9 1.5 100 * L2 1.9 0.6 100 * L2 1.9 0.7 100 * L2 1.5 0.6 100 * L2 1.5 0.7 100 * L2 0.6 0.7 100 * L2 7.9 8.4 100 * L2-A3 8.4 3.5 100 * A3 8.4 1.5 100 * A3 3.5 1.5 100 * A3 8.4 8.7 100 * A3-K4 8.7 4.2 100 * K4 8.7 1.7 100 * K4 8.7 1.4 100 * K4 8.7 1.6 100 * K4 8.7 2.9 100 * K4 4.2 1.7 100 * K4 4.2 1.4 100 * K4 4.2 1.6 100 * K4 4.2 2.9 100 * K4 1.7 1.4 100 * K4 1.7 1.6 100 * K4 1.7 2.9 100 * K4 1.4 1.6 100 * K4 1.4 2.9 100 * K4 1.6 2.9 100 * K4 8.7 8.8 100 * K4-G5 8.8 4.3 100 * G5 8.8 4.4 100 * G5 4.4 4.3 100 * G5 8.8 8.9 100 * G5-L6 8.9 4.4 100 * L6 8.9 1.7 100 * L6 8.9 1.6 100 * L6 8.9 0.5 100 * L6 8.9 0.3 100 * L6 4.4 1.7 100 * L6 4.4 1.6 100 * L6 4.4 0.5 100 * L6 4.4 0.3 100 * L6 1.7 1.6 100 * L6 1.7 0.5 100 * L6 1.7 0.3 100 * L6 1.6 0.5 100 * L6 1.6 0.3 100 * L6 0.5 0.3 100 * L6 ***************************************************************************************** **Sequence file: seq ** The name of the sequence file must contain the text "seq" 1 6 ** All sequence files must contain a minimum of one dimension. comment str = 20 # Q .1 ** Label, symbol (Q = not a resonance), probability tolerance ** Test sequence. 1 1.0 * A ** Sequence number, probability that sequence position is listed residue type, * residue symbol 2 1.0 * L 3 1.0 * A 4 1.0 * K 5 1.0 * G 6 1.0 * L *****************************************************************************************