Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 FLAG polypeptide(L) 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.21 C 0.18 K 0.18 Q 0.17 H 0.06 R 0.06 W 0.05 E 0.03 V 0.01 C Shift Assignments>> CA :: 55.370 CB :: 33.184 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 4.430 HB2 :: 1.939 HB3 :: 2.040 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) FLAG polypeptide(L) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.19 C 0.02 L 0.01 C Shift Assignments>> CA :: 52.503 CB :: 19.530 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.316 HA :: 4.345 HB1 :: 1.376 HB2 :: 1.376 HB3 :: 1.376 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.700 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> CA :: 61.840 CB :: 33.220 CG1 :: 20.662 CG2 :: 21.551 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.048 HA :: 4.142 HB :: 2.055 HG11 :: 0.946 HG12 :: 0.946 HG13 :: 0.946 HG21 :: 0.950 HG22 :: 0.950 HG23 :: 0.950 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.100 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.21 C 0.03 L 0.02 C Shift Assignments>> CA :: 52.721 CB :: 19.951 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.457 HA :: 4.270 HB1 :: 1.326 HB2 :: 1.326 HB3 :: 1.326 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.630 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.19 N 0.11 K 0.11 C 0.1 F 0.06 Y 0.05 R 0.03 C Shift Assignments>> CA :: 53.591 CB :: 41.335 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.037 HA :: 4.607 HB2 :: 2.560 HB3 :: 2.774 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.300 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.34 R 0.07 C Shift Assignments>> CA :: 57.049 CB :: 41.439 CG :: 27.210 CD1 :: 25.560 CD2 :: 23.779 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.696 HA :: 3.915 HB2 :: 1.323 HB3 :: 1.788 HG :: 1.691 HD11 :: 0.737 HD12 :: 0.737 HD13 :: 0.737 HD21 :: 0.654 HD22 :: 0.654 HD23 :: 0.654 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.300 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.43 C 0.02 I 0.01 HN Overlap>> 1.E42 1.E42 C Shift Assignments>> CA :: 54.250 CB :: 18.200 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.232 HA :: 4.093 HB1 :: 1.402 HB2 :: 1.402 HB3 :: 1.402 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.474 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.26 A 0.07 R 0.07 HN Overlap>> 1.Q67 1.Q67 C Shift Assignments>> CA :: 54.673 CB :: 41.800 CG :: 27.144 CD1 :: 25.540 CD2 :: 22.420 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.394 HA :: 4.180 HB2 :: 1.687 HB3 :: 1.754 HG :: 1.601 HD11 :: 0.968 HD12 :: 0.968 HD13 :: 0.968 HD21 :: 0.813 HD22 :: 0.813 HD23 :: 0.813 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.038 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.45 A 0.01 C Shift Assignments>> CA :: 58.230 CB :: 39.460 CG1 :: 27.119 CG2 :: 17.090 CD1 :: 14.55 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.403 HA :: 4.285 HB :: 1.810 HG12 :: 1.051 HG13 :: 1.537 HG21 :: 0.781 HG22 :: 0.781 HG23 :: 0.781 HD11 :: 0.838 HD12 :: 0.838 HD13 :: 0.838 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.310 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> CA :: 62.900 CB :: 32.315 CG :: 27.568 CD :: 51.110 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.399 HB2 :: 2.380 HB3 :: 1.698 HG2 :: 2.053 HD2 :: 4.110 HD3 :: 3.580 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 K 0.19 Y 0.15 C 0.14 L 0.12 D 0.06 R 0.06 I 0.04 C Shift Assignments>> CA :: 57.930 CB :: 41.310 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.932 HA :: 4.478 HB2 :: 2.556 HB3 :: 2.860 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 127.039 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 V 0.32 C Shift Assignments>> CA :: 61.180 CB :: 36.008 CG1 :: 22.660 CG2 :: 23.337 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.406 HA :: 4.413 HB :: 1.876 HG11 :: 0.690 HG12 :: 0.690 HG13 :: 0.690 HG21 :: 0.892 HG22 :: 0.892 HG23 :: 0.892 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.300 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.19 D 0.14 R 0.13 C 0.1 F 0.08 Y 0.06 N 0.01 C Shift Assignments>> CA :: 55.676 CB :: 42.125 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.516 HA :: 4.891 HB2 :: 2.322 HB3 :: 2.721 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 126.860 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.17 A 0.13 G 0.13 C Shift Assignments>> CA :: 57.400 CB :: 43.000 CG1 :: 24.700 CG2 :: 17.870 CD1 :: 13.81 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.406 HA :: 5.408 HB :: 2.026 HG12 :: 0.926 HG13 :: 1.694 HG21 :: 0.667 HG22 :: 0.667 HG23 :: 0.667 HD11 :: 0.553 HD12 :: 0.553 HD13 :: 0.553 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.100 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.D15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.S16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.D17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.G18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> CA :: 60.740 CB :: 33.570 CG1 :: 21.550 CG2 :: 21.210 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.354 HA :: 5.242 HB :: 1.932 HG11 :: 0.858 HG12 :: 0.858 HG13 :: 0.858 HG21 :: 0.976 HG22 :: 0.976 HG23 :: 0.976 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.474 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 N 0.19 C 0.13 L 0.11 F 0.1 Y 0.1 K 0.03 C Shift Assignments>> CA :: 54.300 CB :: 40.100 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.244 HA :: 5.088 HB2 :: 2.790 HB3 :: 3.081 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.249 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.K21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.44 K 0.38 R 0.14 G 0.02 C Shift Assignments>> CA :: 57.400 CB :: 34.020 CD :: 28.900 CE :: 42.700 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.710 HA :: 4.527 HB2 :: 1.362 HB3 :: 0.866(S) HD2 :: 1.655 HD3 :: 1.396 HE2 :: 2.832 HE3 :: 2.918 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.470 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.Y22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 C 0.18 Y 0.06 C Shift Assignments>> CA :: 54.684 CB :: 44.991 CD1 :: 131.740 CE1 :: 117.997 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.289 HA :: 5.630 HB2 :: 2.270 HB3 :: 3.110 HD1 :: 6.780 HE1 :: 7.534 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.400 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 V 0.15 I 0.07 C Shift Assignments>> CA :: 59.229 CB :: 35.780 CG1 :: 20.100 CG2 :: 23.776 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.966 HA :: 4.526 HB :: 1.997 HG11 :: 0.864 HG12 :: 0.864 HG13 :: 0.864 HG21 :: 0.903 HG22 :: 0.903 HG23 :: 0.903 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 113.732 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.2 C 0.16 A 0.07 R 0.03 C Shift Assignments>> CA :: 52.940 CB :: 45.147 CG :: 27.876 CD1 :: 26.000 CD2 :: 22.708 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.948 HA :: 5.204 HB2 :: 1.017 HB3 :: 1.549 HG :: 1.286 HD11 :: 0.790 HD12 :: 0.790 HD13 :: 0.790 HD21 :: 0.857 HD22 :: 0.857 HD23 :: 0.857 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.970 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.28 G 0.13 C Shift Assignments>> CA :: 59.674 CB :: 43.180 CG1 :: 28.062 CG2 :: 17.541 CD1 :: 15.42 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.175 HA :: 4.745 HB :: 1.621 HG12 :: 0.971 HG13 :: 1.627 HG21 :: 0.913 HG22 :: 0.913 HG23 :: 0.913 HD11 :: 0.852 HD12 :: 0.852 HD13 :: 0.852 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.740 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.R26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.35 K 0.18 G 0.07 C Shift Assignments>> CA :: 55.319 CB :: 32.100 CG :: 27.600 CD :: 43.379 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.278 HA :: 5.053 HB2 :: 1.690 HB3 :: 1.877 HG2 :: 0.890 HG3 :: 1.280 HD2 :: 3.134 HD3 :: 3.184 HE :: 7.600 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 128.281 NE :: 98.1 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) FLAG polypeptide(L) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 V 0.41 M 0.09 K 0.03 C Shift Assignments>> CA :: 60.070 CB :: 34.240 CG2 :: 22.000 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.214 HA :: 4.853 HB :: 1.796 HG21 :: 0.890 HG22 :: 0.890 HG23 :: 0.890 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.570 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.H28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 H 0.31 W 0.27 C Shift Assignments>> CA :: 54.673 CB :: 33.200 CD2 :: 119.810 CE1 :: 137.529 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.858 HA :: 5.062 HB2 :: 3.041 HB3 :: 3.170 HD2 :: 6.746 HE1 :: 7.892 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 123.776 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.369 CB :: 64.280 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.687 HA :: 4.550 HB2 :: 3.810 HB3 :: 4.081 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.570 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> CA :: 50.700 CB :: 18.700 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.341 HA :: 4.748 HB1 :: 1.408 HB2 :: 1.408 HB3 :: 1.408 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.040 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> CA :: 63.500 CB :: 32.100 CG :: 27.800 CD :: 50.600 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.415 HB2 :: 1.936 HB3 :: 2.250 HG2 :: 1.995 HG3 :: 2.080 HD2 :: 3.726 HD3 :: 3.909 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.41 C 0.37 K 0.11 G 0.09 C Shift Assignments>> CA :: 55.120 CB :: 32.100 CG :: 26.990 CD :: 43.500 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> HA :: 4.550 HB2 :: 1.760 HB3 :: 1.920 HG2 :: 1.655 HD2 :: 3.210 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) FLAG polypeptide(L) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> 1.T119 1.T119 C Shift Assignments>> CA :: 59.212 CB :: 64.900 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.205 HA :: 4.325 HB2 :: 4.001 HB3 :: 4.078 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.580 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> CA :: 45.360 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.825 HA3 :: 4.071 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) FLAG polypeptide(L) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.09 C 0.02 C Shift Assignments>> CA :: 50.500 CB :: 18.880 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.839 HA :: 4.707 HB1 :: 1.372 HB2 :: 1.372 HB3 :: 1.372 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.730 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.P36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> CA :: 63.600 CB :: 32.087 CG :: 27.355 CD :: 50.492 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.410 HB2 :: 1.928 HB3 :: 2.280 HG2 :: 2.080 HG3 :: 2.020 HD2 :: 3.702 HD3 :: 3.900 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.16 C 0.03 L 0.01 C Shift Assignments>> CA :: 51.983 CB :: 19.980 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.106 HA :: 4.355 HB1 :: 1.392 HB2 :: 1.392 HB3 :: 1.392 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.950 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.19 C 0.03 L 0.02 C Shift Assignments>> CA :: 52.517 CB :: 20.057 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.293 HA :: 4.336 HB1 :: 1.445 HB2 :: 1.445 HB3 :: 1.445 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.910 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.3 M 0.22 I 0.01 Q 0.01 C Shift Assignments>> CA :: 56.185 CB :: 32.194 CG :: 36.462 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.248 HA :: 4.533 HB2 :: 1.946 HB3 :: 2.068 HG2 :: 2.316 HG3 :: 2.270 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.180 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.79 T 0.2 C Shift Assignments>> CA :: 57.200 CB :: 66.633 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.294 HA :: 5.391 HB2 :: 3.298 HB3 :: 3.613 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.040 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.2 M 0.12 R 0.09 G 0.01 A 0.01 C Shift Assignments>> CA :: 55.634 CB :: 35.739 CG :: 23.340 CD :: 30.450 CE :: 42.260 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.576 HA :: 4.648 HB2 :: 1.857 HB3 :: 1.902 HG2 :: 0.920 HG3 :: 1.155 HD2 :: 1.535 HD3 :: 1.620 HE2 :: 2.610 HE3 :: 2.780 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.300 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.36 I 0.07 M 0.06 K 0.02 HN Overlap>> 1.A7 1.A7 C Shift Assignments>> CA :: 55.947 CB :: 30.330 CG :: 37.752 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.161 HA :: 5.437 HB2 :: 1.564 HB3 :: 1.927 HG2 :: 1.917 HG3 :: 2.110 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.500 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.45 A 0.01 C Shift Assignments>> CA :: 58.900 CB :: 40.952 CG1 :: 26.370 CG2 :: 18.880 CD1 :: 13.55 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.520 HA :: 5.350 HB :: 1.972 HG12 :: 1.167 HG13 :: 1.287 HG21 :: 0.816 HG22 :: 0.816 HG23 :: 0.816 HD11 :: 0.582 HD12 :: 0.582 HD13 :: 0.582 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 114.080 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.36 C Shift Assignments>> CA :: 61.600 CB :: 34.974 CG1 :: 21.200 CG2 :: 21.760 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.945 HA :: 4.705 HB :: 1.940 HG11 :: 0.709 HG12 :: 0.709 HG13 :: 0.709 HG21 :: 0.985 HG22 :: 0.985 HG23 :: 0.985 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.360 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.R45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.46 G 0.45 R 0.05 K 0.02 C Shift Assignments>> CA :: 52.590 CB :: 34.900 CG :: 26.520 CD :: 44.020 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.626 HA :: 5.348 HB2 :: 1.550 HB3 :: 1.746 HG2 :: 1.363 HG3 :: 1.626 HD2 :: 3.777 HD3 :: 3.889(S) HE :: 6.133 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 129.890 NE :: 115.060 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) FLAG polypeptide(L) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.65 A 0.12 C 0.07 N 0.06 D 0.02 G 0.02 C Shift Assignments>> CA :: 49.087 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.155 HA2 :: 3.770 HA3 :: 4.550 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.071 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 G 0.41 Y 0.14 C Shift Assignments>> CA :: 54.700 CB :: 43.710 CD1 :: 134.470 CE1 :: 116.530 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 6.386 HA :: 5.619 HD1 :: 6.689 HE1 :: 6.519 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.300 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.11 D 0.11 M 0.09 H 0.08 C 0.07 Q 0.07 R 0.06 K 0.06 N 0.05 A 0.05 W 0.04 E 0.04 Y 0.03 F 0.03 S 0.01 C Shift Assignments>> CA :: 55.080 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 10.280 HA :: 4.484 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.800 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.W49 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.54 W 0.29 H 0.15 C Shift Assignments>> CA :: 56.339 CB :: 28.995 CD1 :: 130.254(A) CE3 :: 121.632 CZ2 :: 114.823 CZ3 :: 121.770 CH2 :: 123.766 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> HA :: 4.420 HB2 :: 3.210 HB3 :: 3.580 HD1 :: 7.499 HE1 :: 9.476 HE3 :: 7.381 HZ2 :: 6.832 HZ3 :: 6.939 HH2 :: 7.034 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> NE1 :: 108.560(S) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) FLAG polypeptide(L) 1.A50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.77 M 0.18 C 0.02 C Shift Assignments>> CA :: 52.300 CB :: 19.400 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.202(S) HA :: 4.420 HB1 :: 0.876 HB2 :: 0.876 HB3 :: 0.876 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.130 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 M 0.1 I 0.08 K 0.05 Q 0.03 C Shift Assignments>> CA :: 58.202 CB :: 30.700 CG :: 36.223 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.056 HA :: 4.050 HB2 :: 1.765 HB3 :: 2.020 HG2 :: 2.040 HG3 :: 1.864 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 128.630 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.Y52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 C 0.46 C Shift Assignments>> CA :: 56.070 CB :: 40.480 CD1 :: 134.060 CE1 :: 118.300 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.261 HA :: 4.880 HB2 :: 2.724 HB3 :: 3.784 HD1 :: 7.459 HE1 :: 6.918 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.390 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.H53 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.61 M 0.38 C Shift Assignments>> CA :: 11.40(A) CB :: 30.700 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> HA :: 3.849 HB2 :: 3.325 HB3 :: 3.078 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) SRO Rule Breaks>> (CA > CB : 1.0000) FLAG polypeptide(L) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.39 C 0.04 I 0.02 V 0.01 L 0.01 C Shift Assignments>> CA :: 55.200 CB :: 19.100 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.497 HA :: 4.870 HB1 :: 1.554 HB2 :: 1.554 HB3 :: 1.554 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.716 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 F 0.18 Y 0.14 C 0.13 L 0.13 R 0.07 D 0.06 I 0.03 C Shift Assignments>> CA :: 57.830 CB :: 41.400 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.430 HA :: 4.659 HB2 :: 3.159 HB3 :: 3.268 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.300 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.28 V 0.18 C Shift Assignments>> CA :: 65.200 CB :: 39.010 CG1 :: 28.900 CG2 :: 19.300 CD1 :: 17.95 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.310 HA :: 3.890 HB :: 2.028 HG12 :: 0.407 HG13 :: 1.665 HG21 :: 0.940 HG22 :: 0.940 HG23 :: 0.940 HD11 :: 0.868 HD12 :: 0.868 HD13 :: 0.868 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 116.750 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.Y57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.68 C 0.31 C Shift Assignments>> CA :: 63.200 CB :: 38.600 CD1 :: 132.601 CE1 :: 117.860 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.894 HA :: 3.858 HB2 :: 2.793 HB3 :: 3.200 HD1 :: 6.975 HE1 :: 6.566 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.055 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.24 C 0.17 I 0.09 L 0.07 K 0.06 D 0.05 C Shift Assignments>> CA :: 58.200 CB :: 40.200 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.485 HA :: 4.165 HB2 :: 2.649 HB3 :: 2.895 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.180 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.17 M 0.01 G 0.01 C Shift Assignments>> CA :: 59.280 CB :: 33.100 CG :: 25.000 CD :: 29.100 CE :: 42.300 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.028 HA :: 4.155 HB2 :: 2.231 HB3 :: 2.268 HG2 :: 1.515 HD2 :: 1.630 HD3 :: 1.660 HE2 :: 2.842 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.830 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> CA :: 65.900 CB :: 32.200 CG1 :: 21.800 CG2 :: 22.400 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.457 HA :: 3.860 HB :: 1.887 HG11 :: 0.956 HG12 :: 0.956 HG13 :: 0.956 HG21 :: 1.213 HG22 :: 1.213 HG23 :: 1.213 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.050 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.000 CB :: 62.170 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.824 HA :: 4.186 HB2 :: 3.248 HB3 :: 3.424 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.150 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 C 0.23 L 0.03 P 0.02 A 0.02 C Shift Assignments>> CA :: 47.421 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.650 HA2 :: 3.900 HA3 :: 4.010 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.070 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.23 C 0.17 L 0.09 D 0.08 I 0.06 K 0.06 N 0.01 C Shift Assignments>> CA :: 57.516 CB :: 40.168 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.921 HA :: 4.440 HB2 :: 2.630 HB3 :: 2.931 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.850 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.M64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.42 A 0.08 C Shift Assignments>> CA :: 56.928 CB :: 32.524 CG :: 33.300 CE :: 19.640 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.689 HA :: 4.362 HB2 :: 1.617 HB3 :: 2.160 HG2 :: 2.510 HG3 :: 2.672 HE1 :: 1.956 HE2 :: 1.956 HE3 :: 1.956 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.580 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.Q65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.21 K 0.21 E 0.14 I 0.05 R 0.04 M 0.01 C Shift Assignments>> CA :: 59.084 CB :: 28.309 CG :: 34.340 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.527 HA :: 4.345 HB2 :: 2.262 HB3 :: 2.330 HG2 :: 2.529 HG3 :: 2.619 HE21 :: 7.431 HE22 :: 6.870 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.140 NE2 :: 111.958 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.36 R 0.23 M 0.01 G 0.01 C Shift Assignments>> CA :: 58.790 CB :: 32.426 CG :: 25.547 CD :: 29.362 CE :: 42.300 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.497 HA :: 4.168 HB2 :: 2.018 HG2 :: 1.567 HG3 :: 1.749 HD2 :: 1.747 HE2 :: 3.020 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.580 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.Q67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.2 E 0.13 M 0.12 R 0.02 HN Overlap>> 1.L8 1.L8 C Shift Assignments>> CA :: 54.869 CB :: 29.779 CG :: 34.164 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.340 HA :: 4.577 HB2 :: 2.087 HB3 :: 2.400 HG2 :: 2.400 HE21 :: 7.169 HE22 :: 6.620 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.039 NE2 :: 111.070 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.G68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> CA :: 46.049 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.770 HA2 :: 3.839 HA3 :: 4.190 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 130.050(S) Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.C69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 E 0.14 C 0.14 R 0.13 H 0.11 Q 0.09 K 0.06 M 0.05 I 0.04 V 0.03 C Shift Assignments>> CA :: 58.500 CB :: 30.500 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.699 HA :: 4.812 HB2 :: 2.417 HB3 :: 2.781 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 106.61 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 G 0.19 R 0.19 C 0.12 D 0.1 K 0.02 F 0.02 Y 0.01 N 0.01 C Shift Assignments>> CA :: 53.399 CB :: 43.800 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.347 HA :: 4.937 HB2 :: 2.417 HB3 :: 2.630 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.780 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.C71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 K 0.16 M 0.14 Q 0.1 W 0.09 R 0.08 V 0.06 H 0.06 E 0.06 C Shift Assignments>> CA :: 58.050 CB :: 32.720 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.520 HA :: 5.820 HB2 :: 2.712 HB3 :: 2.897 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.920 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 M 0.16 E 0.1 HN Overlap>> 1.N122 1.N122 C Shift Assignments>> CA :: 55.065 CB :: 34.010 CG :: 36.689 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.893 HA :: 4.750 HB2 :: 1.930 HB3 :: 2.071 HG2 :: 2.191 HG3 :: 2.236 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.230 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.C73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.2 I 0.16 C 0.14 L 0.09 Q 0.09 W 0.08 K 0.08 H 0.06 E 0.05 C Shift Assignments>> CA :: 58.820 CB :: 26.990 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.222 HA :: 4.150 HB2 :: 1.156(S) HB3 :: 2.005 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 125.970 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.27 A 0.22 R 0.02 C Shift Assignments>> CA :: 54.281 CB :: 41.100 CG :: 26.770 CD1 :: 25.793 CD2 :: 21.560 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.097 HA :: 4.543 HB2 :: 1.328 HB3 :: 1.681 HG :: 1.498 HD11 :: 0.779 HD12 :: 0.779 HD13 :: 0.779 HD21 :: 0.682 HD22 :: 0.682 HD23 :: 0.682 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.170 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.27 C 0.08 G 0.07 D 0.05 K 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> CA :: 43.350 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.531 HA2 :: 3.439 HA3 :: 3.999 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.73 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.G76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.1 C 0.08 R 0.05 C Shift Assignments>> CA :: 45.150 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.043 HA2 :: 3.408 HA3 :: 4.195 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.06 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> CA :: 46.260 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.590 HA2 :: 3.915 HA3 :: 4.149 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.91 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.R78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.52 G 0.17 K 0.16 R 0.13 C Shift Assignments>> CA :: 54.400 CB :: 34.600 CG :: 28.010 CD :: 43.600 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.884 HA :: 4.940 HB2 :: 0.515(S) HB3 :: 0.760(S) HG2 :: 1.260 HG3 :: 1.390 HD2 :: 2.754 HD3 :: 2.902 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 130.765 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) FLAG polypeptide(L) 1.I79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.5 C 0.47 G 0.01 C Shift Assignments>> CA :: 59.422 CB :: 41.810 CG1 :: 28.670 CG2 :: 17.990 CD1 :: 13.50 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.692 HA :: 4.499 HB :: 0.610(S) HG12 :: 0.330 HG13 :: 1.061 HG21 :: 0.303 HG22 :: 0.303 HG23 :: 0.303 HD11 :: 0.059 HD12 :: 0.059 HD13 :: 0.059 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.297 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.400 CB :: 64.100 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.937 HB2 :: 3.909 HB3 :: 3.989 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.345 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.H81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.2 C 0.17 K 0.14 H 0.12 R 0.12 W 0.09 E 0.06 Q 0.05 C Shift Assignments>> CA :: 54.730 CB :: 32.020 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> HA :: 4.138 HB2 :: 2.857 HB3 :: 3.120 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) FLAG polypeptide(L) 1.Q82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.23 K 0.22 E 0.1 R 0.07 I 0.03 M 0.01 C Shift Assignments>> CA :: 58.700 CB :: 28.000 CG :: 34.020 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.926 HA :: 4.093 HB2 :: 2.070 HG2 :: 2.403 HE21 :: 7.588 HE22 :: 6.870 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.930 NE2 :: 113.460 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 59.160 CB :: 63.200 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.275 HB2 :: 3.895 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) FLAG polypeptide(L) 1.Q84 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> HE21 :: 7.364 HE22 :: 6.776 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> NE2 :: 111.780 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.D85 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.K86 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.48 R 0.34 K 0.14 G 0.02 C Shift Assignments>> CA :: 55.170 CB :: 37.400 CG :: 25.110 CD :: 29.550 CE :: 42.260 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> HA :: 5.382 HB2 :: 1.471 HB3 :: 1.751 HG2 :: 1.272 HG3 :: 1.380 HD2 :: 1.536 HD3 :: 1.594 HE2 :: 2.888 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) FLAG polypeptide(L) 1.I88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 V 0.22 M 0.17 T 0.1 C 0.04 C Shift Assignments>> CA :: 60.100 CG2 :: 18.870 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.680 HA :: 5.180 HG21 :: 0.623 HG22 :: 0.623 HG23 :: 0.623 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.820 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.H89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.73 H 0.11 W 0.11 F 0.03 C Shift Assignments>> CA :: 54.370 CB :: 34.876 CE1 :: 137.520 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> HA :: 5.744 HB2 :: 2.901 HB3 :: 2.760 HE1 :: 7.290 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) FLAG polypeptide(L) 1.V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> CA :: 61.500 CB :: 33.110 CG1 :: 21.772 CG2 :: 22.655 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.425 HA :: 4.339 HB :: 1.894 HG11 :: 0.507 HG12 :: 0.507 HG13 :: 0.507 HG21 :: 0.651 HG22 :: 0.651 HG23 :: 0.651 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 129.900 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.Y91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 Y 0.32 C Shift Assignments>> CA :: 56.045 CB :: 38.404 CD1 :: 135.094 CE1 :: 117.620 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.673 HA :: 5.389 HB2 :: 2.659 HB3 :: 3.018 HD1 :: 6.768 HE1 :: 6.492 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.780 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> CA :: 45.800 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.211 HA2 :: 4.102 HA3 :: 4.204 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.50 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.Y93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> CA :: 56.535 CB :: 40.700 CD1 :: 133.590 CE1 :: 118.450 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.220 HA :: 5.221 HB2 :: 2.463 HB3 :: 3.219 HD1 :: 6.870 HE1 :: 6.837 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 114.970 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.S94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.100 CB :: 64.827 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 5.960(S) HA :: 4.645 HB2 :: 2.326(S) HB3 :: 3.160 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.600 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.M95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.45 M 0.39 Q 0.08 K 0.03 E 0.02 C Shift Assignments>> CA :: 58.380 CB :: 32.400 CG :: 32.403 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 4.391 HB2 :: 2.172 HB3 :: 2.273 HG2 :: 2.719 HG3 :: 2.786 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) FLAG polypeptide(L) 1.A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.48 M 0.44 C 0.03 I 0.01 C Shift Assignments>> CA :: 54.590 CB :: 18.705 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 3.972 HB1 :: 0.783 HB2 :: 0.783 HB3 :: 0.783 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) FLAG polypeptide(L) 1.Y97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> CA :: 56.339 CB :: 40.470 CD1 :: 132.500 CE1 :: 117.180 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.245 HA :: 4.726 HB2 :: 2.129 HB3 :: 3.072 HD1 :: 6.805 HE1 :: 6.406 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 111.690 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.17 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.700 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.559 HA2 :: 4.170 HA3 :: 4.450 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.470 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.P99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> CA :: 62.416 CB :: 31.446 CG :: 27.100 CD :: 49.600 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.974 HB2 :: 2.084 HB3 :: 2.413 HG2 :: 2.120 HG3 :: 2.286 HD2 :: 3.711 HD3 :: 3.822 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.A100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.1 C 0.02 C Shift Assignments>> CA :: 50.851 CB :: 19.200 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.420 HA :: 4.256 HB1 :: 0.751 HB2 :: 0.751 HB3 :: 0.751 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.320 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.Q101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.23 Q 0.23 R 0.11 E 0.02 M 0.02 C Shift Assignments>> CA :: 54.700 CB :: 26.447 CG :: 33.833 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.840 HA :: 4.020 HB2 :: 1.764 HB3 :: 1.915 HG2 :: 2.204 HG3 :: 2.271 HE21 :: 7.476 HE22 :: 6.736 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.940 NE2 :: 112.400 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.H102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 H 0.35 W 0.1 C Shift Assignments>> CA :: 58.070 CB :: 31.570 CD2 :: 116.900 CE1 :: 139.500 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 6.931 HA :: 4.035 HB2 :: 2.648 HB3 :: 2.901 HD2 :: 6.434 HE1 :: 7.535 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 125.797 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.4 I 0.03 C 0.02 C Shift Assignments>> CA :: 54.900 CB :: 18.200 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.266 HA :: 3.085 HB1 :: 0.876 HB2 :: 0.876 HB3 :: 0.876 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.420 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.I104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> CA :: 63.886 CB :: 37.130 CG1 :: 28.000 CG2 :: 17.030 CD1 :: 12.41 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.433 HA :: 3.716 HB :: 1.926 HG12 :: 1.065 HG13 :: 1.452 HG21 :: 0.750 HG22 :: 0.750 HG23 :: 0.750 HD11 :: 0.750 HD12 :: 0.750 HD13 :: 0.750 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.760 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.S105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.456 CB :: 61.600 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.081 HA :: 3.783 HB2 :: 3.471 HB3 :: 3.975 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.790 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.T106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> CA :: 67.266 CB :: 68.290 CG2 :: 22.442 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.512 HA :: 3.525 HB :: 4.044 HG21 :: 1.173 HG22 :: 1.173 HG23 :: 1.173 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.790 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.31 I 0.21 K 0.07 Q 0.03 M 0.02 C Shift Assignments>> CA :: 59.868 CB :: 29.387 CG :: 36.044 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.294 HA :: 3.980 HB2 :: 2.180 HG2 :: 2.295 HG3 :: 2.412 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.960 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.K108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 C 0.33 R 0.29 M 0.01 G 0.01 C Shift Assignments>> CA :: 58.006 CB :: 31.838 CG :: 24.890 CD :: 28.450 CE :: 42.500 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.363 HA :: 4.136 HB2 :: 1.880 HB3 :: 1.629 HG2 :: 1.660 HG3 :: 1.367 HD2 :: 1.619 HD3 :: 1.455 HE2 :: 2.847 HE3 :: 3.019 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.920 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 C Shift Assignments>> CA :: 66.300 CB :: 38.680 CG1 :: 30.700 CG2 :: 20.200 CD1 :: 14.40 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.449 HA :: 3.517 HB :: 1.675 HG12 :: 1.835 HG13 :: 0.594 HG21 :: 0.748 HG22 :: 0.748 HG23 :: 0.748 HD11 :: 0.387 HD12 :: 0.387 HD13 :: 0.387 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.360 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.K110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.35 R 0.24 G 0.01 M 0.01 C Shift Assignments>> CA :: 59.200 CB :: 32.700 CG :: 25.458 CD :: 29.539 CE :: 42.500 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.864 HA :: 3.918 HB2 :: 1.801 HB3 :: 1.936 HG2 :: 1.630 HG3 :: 1.540 HD2 :: 1.640 HD3 :: 1.914 HE2 :: 3.061 HE3 :: 3.135 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.006 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.A111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.44 C 0.02 I 0.01 C Shift Assignments>> CA :: 54.281 CB :: 18.116 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.924 HA :: 4.132 HB1 :: 1.502 HB2 :: 1.502 HB3 :: 1.502 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.810 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.35 R 0.22 M 0.02 G 0.01 C Shift Assignments>> CA :: 56.437 CB :: 33.014 CG :: 25.300 CD :: 28.900 CE :: 42.570 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.130 HA :: 4.110 HB2 :: 1.617 HB3 :: 1.727 HG2 :: 0.695 HD2 :: 1.403 HD3 :: 1.681 HE2 :: 2.826 HE3 :: 2.920 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.160 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.Y113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 N 0.2 E 0.17 Y 0.11 M 0.07 F 0.06 D 0.03 K 0.02 I 0.01 C Shift Assignments>> CA :: 54.800 CB :: 36.900 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.924 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.878 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.P114 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.D115 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.Y116 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.E117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.37 C 0.35 M 0.13 K 0.05 Q 0.03 I 0.03 C Shift Assignments>> CA :: 56.045 CB :: 30.661 CG :: 36.364 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> HA :: 4.677 HB2 :: 2.020 HB3 :: 2.110 HG2 :: 2.190 HG3 :: 2.303 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) FLAG polypeptide(L) 1.V118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> CA :: 60.900 CB :: 32.500 CG1 :: 21.900 CG2 :: 22.260 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.774 HA :: 5.517 HB :: 2.038 HG11 :: 0.844 HG12 :: 0.844 HG13 :: 0.844 HG21 :: 0.902 HG22 :: 0.902 HG23 :: 0.902 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 130.580 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.T119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.58 C 0.41 HN Overlap>> 1.S33 1.S33 C Shift Assignments>> CA :: 59.574 CB :: 72.70 CG2 :: 21.992 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.202 HA :: 4.903 HB :: 4.547 HG21 :: 1.151 HG22 :: 1.151 HG23 :: 1.151 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.580 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.W120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 W 0.42 H 0.03 C Shift Assignments>> CA :: 54.967 CB :: 33.014 CD1 :: 127.836 CE3 :: 120.324 CZ2 :: 114.911 CZ3 :: 120.543 CH2 :: 124.300 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.218 HA :: 5.808 HB2 :: 3.138 HD1 :: 7.194 HE1 :: 10.391 HE3 :: 7.585 HZ2 :: 7.554 HZ3 :: 7.350 HH2 :: 7.288 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 114.620 NE1 :: 130.580 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) FLAG polypeptide(L) 1.A121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.17 A 0.15 M 0.1 K 0.07 C Shift Assignments>> CA :: 51.773 CB :: 23.100 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.631 HA :: 4.344 HB1 :: 1.591 HB2 :: 1.591 HB3 :: 1.591 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.360 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.N122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.19 C 0.15 Y 0.08 F 0.06 L 0.04 E 0.01 HN Overlap>> 1.E72 1.E72 C Shift Assignments>> CA :: 53.157 CB :: 38.900 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.861 HA :: 5.451 HB2 :: 2.908 HB3 :: 3.080 HD21 :: 7.799 HD22 :: 7.046 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.232 ND2 :: 112.490 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.D123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.19 R 0.15 K 0.12 C 0.1 F 0.04 Y 0.03 N 0.03 G 0.01 C Shift Assignments>> CA :: 53.912 CB :: 42.549 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.121 HA :: 4.838 HB2 :: 2.737 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.590 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.G124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.07 R 0.02 C Shift Assignments>> CA :: 45.559 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.357 HA2 :: 3.826 HA3 :: 3.976 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.34 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.Y125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> CA :: 59.850 CB :: 39.800 CD1 :: 132.930 CE1 :: 118.060 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.652 HA :: 4.350 HB2 :: 2.820 HB3 :: 2.947 HD1 :: 6.765 HE1 :: 6.732 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.846 Ave N Shift Values>> N :: 120.79(4.69) ########################################################################### Overall Results: #Consistent: 115 #Clerical: 0 #Suspicious: 8 #Anomalous: 1 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 114 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 10 Shift Relative Order (SRO) Results: #Consistent: 124 #Suspicious: 1 C Shift Results: #Consistent: 355 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 2 H Shift Results: #Consistent: 697 #Duplicate: 0 #Unknown: 0 #Suspicious: 9 #Anomalous: 0 N Shift Results: #Consistent: 107 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.K21 HB3 = 0.866(S), Expected = 1.78, Std = 0.2600, ChiSquare = 4.3912e-04 1.R45 HD3 = 3.889(S), Expected = 3.13, Std = 0.2200, ChiSquare = 5.6059e-04 1.W49 CD1 = 130.254(A), Expected = 126.16, Std = 1.7600, ChiSquare = 2.0011e-02 1.W49 NE1 = 108.560(S), Expected = 129.48, Std = 2.5600, ChiSquare = 3.0363e-16 1.A50 H = 6.202(S), Expected = 8.20, Std = 0.6000, ChiSquare = 8.6846e-04 1.H53 Typing: Mistyped 1.H53 CA = 11.40(A), Expected = 56.37, Std = 2.4000, ChiSquare = 2.4487e-78 1.H53 SRO Rule Break>> CA > CB : 1 1.G68 N = 130.050(S), Expected = 109.91, Std = 4.2900, ChiSquare = 2.6708e-06 1.C73 HB2 = 1.156(S), Expected = 2.95, Std = 0.4300, ChiSquare = 3.0181e-05 1.R78 HB2 = 0.515(S), Expected = 1.79, Std = 0.2800, ChiSquare = 5.2743e-06 1.R78 HB3 = 0.760(S), Expected = 1.78, Std = 0.2800, ChiSquare = 2.6963e-04 1.I79 HB = 0.610(S), Expected = 1.80, Std = 0.3100, ChiSquare = 1.2368e-04 1.S94 H = 5.960(S), Expected = 8.29, Std = 0.6200, ChiSquare = 1.7123e-04 1.S94 HB2 = 2.326(S), Expected = 3.88, Std = 0.2900, ChiSquare = 8.3860e-08