Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 FLAG polypeptide(L) 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> A 0.72 M 0.22 C 0.03 L 0.01 C Shift Assignments>> C :: 178.150 CA :: 52.860 CB :: 19.498 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) FLAG polypeptide(L) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 K 0.18 C 0.17 Q 0.13 R 0.08 W 0.07 H 0.07 E 0.05 V 0.02 C Shift Assignments>> C :: 176.691 CA :: 56.345 CB :: 32.799 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 :: 8.597 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 :: 119.862 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 I 0.1 K 0.1 Q 0.05 M 0.04 C Shift Assignments>> C :: 176.292 CA :: 57.913 CB :: 29.539 CG :: 36.195 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 :: 8.577 HA :: 3.668 HB2 :: 1.869 HB3 :: 1.852 HG2 :: 2.180 HG3 :: 2.051 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 :: 121.084 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.17 L 0.14 C 0.12 F 0.08 Y 0.07 K 0.06 HN Overlap>> 1.I69 1.H81 1.I69 1.H81 C Shift Assignments>> C :: 175.569 CA :: 53.885 CB :: 40.556 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 :: 8.012 HA :: 4.527 HB2 :: 2.597 HB3 :: 2.578 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 :: 118.922 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.A6 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>> C :: 175.823 CA :: 52.498 CB :: 19.609 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.521 HA :: 3.987 HB1 :: 1.102 HB2 :: 1.102 HB3 :: 1.102 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.502 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.V7 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>> C :: 173.870 CA :: 61.404 CB :: 33.433 CG1 :: 20.732 CG2 :: 20.404 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 :: 7.678 HA :: 3.733 HB :: 1.523 HG11 :: 0.663 HG12 :: 0.663 HG13 :: 0.663 HG21 :: 0.269 HG22 :: 0.269 HG23 :: 0.269 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 :: 120.853 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.F8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 F 0.3 C Shift Assignments>> C :: 175.600 CA :: 56.764 CB :: 39.973 CD1 :: 132.709 CD2 :: 132.709 CE1 :: 131.691 CE2 :: 131.691 CZ :: 132.598 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 :: 8.076 HA :: 4.416 HB2 :: 3.016 HB3 :: 2.642 HD1 :: 7.259 HD2 :: 7.259 HE1 :: 6.882 HE2 :: 6.882 HZ :: 6.672 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 :: 125.255 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.Y9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 Y 0.19 F 0.19 C 0.17 E 0.01 C Shift Assignments>> C :: 178.584 CA :: 61.178 CB :: 38.676 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 :: 10.825 HA :: 3.978 HB2 :: 2.301 HB3 :: 2.132 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 :: 125.540 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.F10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 C 0.4 C Shift Assignments>> C :: 176.440 CA :: 57.728 CB :: 40.566 CD1 :: 132.575 CD2 :: 132.575 CE1 :: 130.854 CE2 :: 130.854 CZ :: 129.503 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 :: 10.520 HA :: 4.830 HB2 :: 3.396 HB3 :: 3.072 HD1 :: 7.463 HD2 :: 7.463 HE1 :: 7.288 HE2 :: 7.288 HZ :: 7.298 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 :: 119.054 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.V11 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 172.957 CA :: 62.956 CB :: 31.558 CG1 :: 18.838 CG2 :: 21.255 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 :: 6.222 HA :: 1.579(A) HB :: 1.292 HG11 :: 0.647 HG12 :: 0.647 HG13 :: 0.647 HG21 :: 0.267 HG22 :: 0.267 HG23 :: 0.267 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 :: 118.935 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.23 K 0.14 C 0.1 R 0.07 N 0.06 F 0.06 Y 0.04 C Shift Assignments>> C :: 176.661 CA :: 54.000 CB :: 41.835 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 :: 7.981 HA :: 4.730 HB2 :: 2.720 HB3 :: 2.318 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 :: 117.385 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.17 D 0.17 K 0.15 F 0.14 C 0.12 Y 0.12 N 0.03 R 0.03 I 0.01 C Shift Assignments>> C :: 177.147 CA :: 56.086 CB :: 40.997 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 :: 7.413 HA :: 4.440 HB2 :: 2.965 HB3 :: 2.736 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 :: 122.077 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.17 D 0.17 K 0.12 C 0.1 F 0.05 Y 0.03 N 0.02 G 0.02 C Shift Assignments>> C :: 173.757 CA :: 54.274 CB :: 42.662 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 :: 9.039 HA :: 4.891 HB2 :: 2.913 HB3 :: 2.558 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 :: 120.699 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.4 R 0.11 M 0.02 G 0.01 A 0.01 C Shift Assignments>> C :: 175.073 CA :: 53.927 CB :: 35.354 CG :: 24.219 CD :: 28.972 CE :: 42.188 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 :: 7.377 HA :: 4.645 HB2 :: 1.883 HB3 :: 1.753 HG2 :: 1.381 HG3 :: 1.380 HD2 :: 1.688 HD3 :: 1.687 HE2 :: 2.997 HE3 :: 2.998 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 :: 117.160 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 173.320 CA :: 60.825 CB :: 39.471 CG1 :: 28.508 CG2 :: 17.310 CD1 :: 16.210 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 :: 8.442 HA :: 3.848 HB :: 1.584 HG12 :: 1.600 HG13 :: 1.572 HG21 :: 0.903 HG22 :: 0.903 HG23 :: 0.903 HD11 :: 0.889 HD12 :: 0.889 HD13 :: 0.889 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 :: 119.222 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.C17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.14 C 0.13 M 0.12 W 0.11 Q 0.1 E 0.1 K 0.08 C Shift Assignments>> C :: 172.811 CA :: 55.104 CB :: 30.790 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 6.458 HA :: 4.798 HB2 :: 3.280 HB3 :: 2.615 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 :: 119.997 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.303 CA :: 57.950 CB :: 63.969 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.390 HA :: 4.327 HB2 :: 4.123 HB3 :: 3.883 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 :: 112.622 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.37 G 0.08 K 0.06 L 0.01 C Shift Assignments>> C :: 177.897 CA :: 59.742 CB :: 29.718 CG :: 27.575 CD :: 43.284 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 :: 8.966 HA :: 3.855 HB2 :: 1.914 HB3 :: 1.749 HG2 :: 1.677 HG3 :: 1.602 HD2 :: 3.225 HD3 :: 3.223 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 :: 125.291 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.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.19 F 0.18 Y 0.17 C 0.15 L 0.12 N 0.07 K 0.06 I 0.02 C Shift Assignments>> C :: 176.883 CA :: 55.989 CB :: 40.154 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 :: 8.224 HA :: 4.472 HB2 :: 2.759 HB3 :: 2.673 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 :: 115.435 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 T 0.08 HN Overlap>> 1.T97 1.T97 C Shift Assignments>> C :: 173.468 CA :: 59.347 CB :: 65.714 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.865 HA :: 4.841 HB2 :: 4.367 HB3 :: 3.831 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 :: 115.102 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 I 0.28 C Shift Assignments>> C :: 176.303 CA :: 62.100 CB :: 35.152 CG1 :: 27.957 CG2 :: 19.378 CD1 :: 9.760 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 :: 7.228 HA :: 3.567 HB :: 2.139 HG12 :: 1.657 HG13 :: 1.389 HG21 :: 0.846 HG22 :: 0.846 HG23 :: 0.846 HD11 :: 0.539 HD12 :: 0.539 HD13 :: 0.539 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 :: 121.947 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 176.769 CA :: 67.055 CB :: 36.835 CG1 :: 30.861 CG2 :: 17.577 CD1 :: 13.786 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 :: 8.298 HA :: 3.426 HB :: 1.853 HG12 :: 1.677 HG13 :: 0.899 HG21 :: 0.866 HG22 :: 0.866 HG23 :: 0.866 HD11 :: 0.966 HD12 :: 0.966 HD13 :: 0.966 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 :: 120.369 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.23 C 0.17 D 0.08 L 0.08 I 0.07 K 0.05 N 0.01 HN Overlap>> 1.S45 1.S45 C Shift Assignments>> C :: 178.957 CA :: 57.580 CB :: 40.086 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 :: 7.634 HA :: 4.445 HB2 :: 2.970 HB3 :: 2.968 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 :: 119.261 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 L 0.38 R 0.03 K 0.01 C Shift Assignments>> C :: 176.868 CA :: 58.429 CB :: 40.318 CG :: 27.736 CD1 :: 23.895 CD2 :: 26.098 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 :: 8.510 HA :: 4.057 HB2 :: 2.084 HB3 :: 0.928 HG :: 1.216 HD11 :: 0.800 HD12 :: 0.800 HD13 :: 0.800 HD21 :: 0.730 HD22 :: 0.730 HD23 :: 0.730 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 :: 121.633 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 I 0.3 HN Overlap>> 1.M128 1.M128 C Shift Assignments>> C :: 177.342 CA :: 62.511 CB :: 35.228 CG1 :: 26.697 CG2 :: 17.481 CD1 :: 8.965 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 :: 7.992 HA :: 3.786 HB :: 2.116 HG12 :: 1.824 HG13 :: 1.361 HG21 :: 0.911 HG22 :: 0.911 HG23 :: 0.911 HD11 :: 0.684 HD12 :: 0.684 HD13 :: 0.684 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 :: 117.624 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.24 K 0.17 L 0.16 C 0.12 F 0.11 Y 0.08 D 0.04 I 0.01 G 0.01 HN Overlap>> 1.Q91 1.Q91 C Shift Assignments>> C :: 178.921 CA :: 57.893 CB :: 42.630 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 :: 8.308 HA :: 4.438 HB2 :: 2.920 HB3 :: 2.804 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 :: 118.533 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.E28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.37 C 0.35 E 0.24 K 0.01 C Shift Assignments>> C :: 177.507 CA :: 59.751 CB :: 29.603 CG :: 37.755 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 :: 8.740 HA :: 4.434 HB2 :: 2.615 HB3 :: 2.615 HG2 :: 3.233(S) HG3 :: 2.794 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 :: 118.703 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.Y29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 176.800 CA :: 60.791 CB :: 38.781 CD1 :: 133.562 CD2 :: 133.562 CE1 :: 118.102 CE2 :: 118.102 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 :: 9.120 HA :: 4.142 HB2 :: 2.954 HB3 :: 2.618 HD1 :: 5.794 HD2 :: 5.794 HE1 :: 6.679 HE2 :: 6.679 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 :: 124.071 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 179.166 CA :: 64.267 CB :: 37.332 CG1 :: 28.774 CG2 :: 18.676 CD1 :: 12.227 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 :: 8.245 HA :: 3.330 HB :: 2.219 HG12 :: 1.660 HG13 :: 1.658 HG21 :: 0.899 HG22 :: 0.899 HG23 :: 0.899 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 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 :: 118.293 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.I135 1.I135 C Shift Assignments>> C :: 176.845 CA :: 67.433 CB :: 67.912 CG2 :: 21.961 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 :: 7.852 HA :: 4.178 HB :: 4.807 HG21 :: 1.451 HG22 :: 1.451 HG23 :: 1.451 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 :: 118.552 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.W32 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> W 0.56 C 0.43 C Shift Assignments>> C :: 176.770 CA :: 62.599 CB :: 27.434 CD1 :: 124.981 CE3 :: 119.990 CZ2 :: 113.942 CZ3 :: 121.590 CH2 :: 125.821 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 :: 9.751 HA :: 3.827 HB2 :: 3.616 HB3 :: 3.114 HD1 :: 5.393(A) HE1 :: 9.926 HE3 :: 7.124 HZ2 :: 7.185 HZ3 :: 7.205 HH2 :: 7.643 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 :: 128.584 NE1 :: 130.108 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) FLAG polypeptide(L) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.27 K 0.18 R 0.1 C Shift Assignments>> C :: 178.125 CA :: 55.701 CB :: 26.949 CG :: 26.498 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 :: 7.943 HA :: 3.589 HB2 :: 1.879 HB3 :: 1.673 HG2 :: 1.352 HG3 :: 1.225 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 :: 114.915 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.N34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 F 0.16 L 0.15 Y 0.13 C 0.13 D 0.08 R 0.07 I 0.02 C Shift Assignments>> C :: 175.591 CA :: 57.311 CB :: 41.434 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 :: 7.089 HA :: 4.376 HB2 :: 3.133 HB3 :: 3.129 HD21 :: 7.715 HD22 :: 7.625 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 :: 115.709 ND2 :: 110.709 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.H35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.43 C 0.37 H 0.19 C Shift Assignments>> C :: 176.973 CA :: 60.692 CB :: 31.338 CD2 :: 120.470 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 :: 8.722 HA :: 4.090 HB2 :: 3.377 HB3 :: 3.367 HD2 :: 6.883 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 :: 122.161 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 177.248 CA :: 65.216 CB :: 30.974 CG1 :: 20.443 CG2 :: 19.536 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 :: 8.651 HA :: 3.315 HB :: 1.448 HG11 :: 0.089 HG12 :: 0.089 HG13 :: 0.089 HG21 :: 0.046 HG22 :: 0.046 HG23 :: 0.046 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 :: 112.753 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 I 0.13 C Shift Assignments>> C :: 179.209 CA :: 60.426 CB :: 36.465 CG1 :: 26.535 CG2 :: 16.209 CD1 :: 8.242 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 :: 6.690 HA :: 3.826 HB :: 1.927 HG12 :: 1.723 HG13 :: 1.230 HG21 :: 0.202 HG22 :: 0.202 HG23 :: 0.202 HD11 :: 0.545 HD12 :: 0.545 HD13 :: 0.545 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 :: 117.578 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.V38 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>> C :: 177.430 CA :: 66.434 CB :: 32.005 CG1 :: 23.273 CG2 :: 20.827 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 :: 7.893 HA :: 3.233 HB :: 1.437 HG11 :: 0.783 HG12 :: 0.783 HG13 :: 0.783 HG21 :: 0.005 HG22 :: 0.005 HG23 :: 0.005 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 :: 120.518 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.F39 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 Y 0.41 F 0.12 C Shift Assignments>> C :: 174.283 CA :: 57.898 CB :: 37.989 CD1 :: 130.585 CD2 :: 130.585 CE1 :: 133.427(A) CE2 :: 133.427(A) 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 :: 7.975 HA :: 4.527 HB2 :: 3.310 HB3 :: 2.150 HD1 :: 6.870 HD2 :: 6.870 HE1 :: 7.148 HE2 :: 7.148 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 :: 112.836 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.N40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 C 0.27 E 0.12 Y 0.11 F 0.06 M 0.05 D 0.04 K 0.01 I 0.01 C Shift Assignments>> C :: 174.779 CA :: 54.281 CB :: 37.101 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 :: 7.356 HA :: 4.403 HB2 :: 3.051 HB3 :: 2.649 HD21 :: 7.521 HD22 :: 6.761 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 :: 118.028 ND2 :: 112.281 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.35 R 0.13 M 0.01 C Shift Assignments>> C :: 175.247 CA :: 54.464 CB :: 33.926 CG :: 24.983 CD :: 28.877 CE :: 41.937 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 :: 8.497 HA :: 4.484 HB2 :: 2.010 HB3 :: 1.444 HG2 :: 1.447 HG3 :: 1.298 HD2 :: 1.687 HD3 :: 1.685 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 :: 117.508 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.18 N 0.13 C 0.11 K 0.09 F 0.06 Y 0.05 R 0.02 C Shift Assignments>> C :: 177.852 CA :: 53.484 CB :: 41.170 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 :: 8.294 HA :: 4.634 HB2 :: 2.974 HB3 :: 2.661 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 :: 118.746 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 174.813 CA :: 63.056 CB :: 38.926 CG1 :: 29.085 CG2 :: 17.295 CD1 :: 14.478 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 :: 8.629 HA :: 4.137 HB :: 1.832 HG12 :: 1.488 HG13 :: 1.488 HG21 :: 0.907 HG22 :: 0.907 HG23 :: 0.907 HD11 :: 0.843 HD12 :: 0.843 HD13 :: 0.843 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 :: 128.962 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 176.169 CA :: 62.556 CB :: 69.404 CG2 :: 22.061 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 :: 8.392 HA :: 4.417 HB :: 4.419 HG21 :: 1.283 HG22 :: 1.283 HG23 :: 1.283 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 :: 109.128 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D24 1.D24 C Shift Assignments>> C :: 173.100 CA :: 56.877 CB :: 62.068 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.724 HA :: 4.702 HB2 :: 4.130 HB3 :: 3.919 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 :: 119.282 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.C46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 H 0.15 K 0.14 W 0.11 E 0.11 C 0.11 R 0.1 M 0.04 L 0.02 I 0.01 HN Overlap>> 1.E52 1.R62 1.E52 1.R62 C Shift Assignments>> C :: 173.876 CA :: 55.950 CB :: 29.158 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.778 HA :: 4.703 HB2 :: 2.902 HB3 :: 2.727 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 :: 119.060 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 L 0.26 G 0.2 C 0.09 D 0.03 F 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 173.681 CA :: 43.892 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.950 HA2 :: 4.362 HA3 :: 3.370 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.960 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.37 G 0.1 K 0.1 C Shift Assignments>> C :: 178.653 CA :: 59.763 CB :: 31.042 CG :: 28.209 CD :: 43.533 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 :: 9.161 HA :: 3.793 HB2 :: 1.924 HB3 :: 1.737 HG2 :: 1.938 HG3 :: 1.606 HD2 :: 3.224 HD3 :: 3.224 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 :: 115.139 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.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.45 R 0.06 K 0.01 HN Overlap>> 1.E52 1.E52 C Shift Assignments>> C :: 177.031 CA :: 58.943 CB :: 40.963 CG :: 27.356 CD1 :: 26.348 CD2 :: 23.931 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 :: 7.917 HA :: 3.913 HB2 :: 2.101 HB3 :: 0.996 HG :: 1.411 HD11 :: 1.006 HD12 :: 1.006 HD13 :: 1.006 HD21 :: 0.729 HD22 :: 0.729 HD23 :: 0.729 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 :: 119.133 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.Y50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 C 0.22 Y 0.18 F 0.13 E 0.07 V 0.01 C Shift Assignments>> C :: 179.171 CA :: 60.815 CB :: 37.528 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 :: 9.544 HA :: 3.778 HB2 :: 2.983 HB3 :: 2.670 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 :: 122.028 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.38 R 0.16 G 0.01 M 0.01 HN Overlap>> 1.S77 1.S77 C Shift Assignments>> C :: 179.729 CA :: 60.684 CB :: 32.475 CG :: 24.692 CD :: 28.927 CE :: 42.131 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 :: 8.087 HA :: 3.926 HB2 :: 1.785 HB3 :: 1.765 HG2 :: 1.415 HG3 :: 1.326 HD2 :: 1.666 HD3 :: 1.633 HE2 :: 2.941 HE3 :: 2.941 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 :: 116.306 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.3 I 0.16 K 0.11 Q 0.05 M 0.01 HN Overlap>> 1.C46 1.F56 1.C46 1.F56 1.L49 1.L49 C Shift Assignments>> C :: 179.156 CA :: 58.583 CB :: 28.583 CG :: 36.075 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 :: 7.880 HA :: 3.787 HB2 :: 1.912 HB3 :: 1.798 HG2 :: 2.320 HG3 :: 2.306 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 :: 119.040 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.L53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.71 L 0.26 A 0.02 C Shift Assignments>> C :: 181.087 CA :: 56.682 CB :: 39.043 CG :: 25.449 CD1 :: 22.800 CD2 :: 25.360 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 :: 7.222 HA :: 2.646(S) HB2 :: 0.949 HB3 :: -0.168(S) HG :: 1.371 HD11 :: 0.263 HD12 :: 0.263 HD13 :: 0.263 HD21 :: -0.004 HD22 :: -0.004 HD23 :: -0.004 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 :: 118.969 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.M54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 M 0.34 C Shift Assignments>> C :: 178.886 CA :: 59.528 CB :: 33.848 CG :: 33.794 CE :: 17.737 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 :: 8.301 HA :: 4.111 HB2 :: 2.225 HB3 :: 2.212 HG2 :: 3.108 HG3 :: 2.907 HE1 :: 2.285 HE2 :: 2.285 HE3 :: 2.285 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 :: 120.176 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.32 R 0.3 M 0.01 G 0.01 C Shift Assignments>> C :: 179.560 CA :: 58.664 CB :: 31.256 CG :: 25.730 CD :: 29.434 CE :: 42.395 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 :: 7.116 HA :: 4.283 HB2 :: 2.044 HB3 :: 2.042 HG2 :: 1.788 HG3 :: 1.471 HD2 :: 1.770 HD3 :: 1.770 HE2 :: 2.963 HE3 :: 2.804 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 :: 118.609 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.F56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 H 0.03 W 0.01 HN Overlap>> 1.I69 1.I69 1.E52 1.E52 C Shift Assignments>> C :: 178.307 CA :: 56.102 CB :: 34.701 CD1 :: 128.054 CD2 :: 128.054 CE1 :: 130.958 CE2 :: 130.958 CZ :: 126.644 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 :: 7.876 HA :: 4.703 HB2 :: 3.810 HB3 :: 3.191 HD1 :: 6.716 HD2 :: 6.716 HE1 :: 6.467 HE2 :: 6.467 HZ :: 5.715 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 :: 118.978 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.26 C 0.18 I 0.13 L 0.04 D 0.03 K 0.02 E 0.01 C Shift Assignments>> C :: 178.088 CA :: 58.597 CB :: 39.811 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 :: 8.303 HA :: 4.093 HB2 :: 2.998 HB3 :: 2.595 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 :: 124.193 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 Y 0.17 C 0.14 K 0.14 L 0.13 D 0.11 I 0.03 R 0.02 N 0.02 C Shift Assignments>> C :: 179.219 CA :: 57.078 CB :: 40.775 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 :: 7.406 HA :: 4.523 HB2 :: 2.872 HB3 :: 2.747 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 :: 116.698 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.V59 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>> C :: 177.961 CA :: 66.150 CB :: 31.128 CG1 :: 22.362 CG2 :: 21.923 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 :: 7.194 HA :: 3.691 HB :: 2.213 HG11 :: 1.230 HG12 :: 1.230 HG13 :: 1.230 HG21 :: 1.022 HG22 :: 1.022 HG23 :: 1.022 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 :: 120.684 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.19 I 0.09 C 0.03 C Shift Assignments>> C :: 179.282 CA :: 56.078 CB :: 17.666 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 :: 4.255 HB1 :: 1.831 HB2 :: 1.831 HB3 :: 1.831 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.352 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 178.194 CA :: 65.920 CB :: 38.008 CG1 :: 29.563 CG2 :: 17.400 CD1 :: 13.280 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 :: 7.945 HA :: 3.520 HB :: 1.978 HG12 :: 1.850 HG13 :: 1.099 HG21 :: 0.948 HG22 :: 0.948 HG23 :: 0.948 HD11 :: 0.945 HD12 :: 0.945 HD13 :: 0.945 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 :: 117.889 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.R62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.11 K 0.06 HN Overlap>> 1.C46 1.C46 C Shift Assignments>> C :: 177.418 CA :: 59.038 CB :: 30.223 CG :: 27.627 CD :: 43.599 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 :: 7.747 HA :: 4.107 HB2 :: 1.968 HB3 :: 1.967 HG2 :: 1.757 HG3 :: 1.755 HD2 :: 3.242 HD3 :: 3.243 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 :: 119.087 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.Y63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.7 C 0.28 HN Overlap>> 1.A96 1.A96 C Shift Assignments>> C :: 177.240 CA :: 61.200 CB :: 40.694 CD1 :: 132.882 CD2 :: 132.882 CE1 :: 117.552 CE2 :: 117.552 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 :: 8.631 HA :: 4.046 HB2 :: 2.904 HB3 :: 2.547 HD1 :: 6.039 HD2 :: 6.039 HE1 :: 6.455 HE2 :: 6.455 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 :: 120.221 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.Y64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 C Shift Assignments>> C :: 177.492 CA :: 60.521 CB :: 39.814 CD1 :: 132.957 CD2 :: 132.957 CE1 :: 118.611 CE2 :: 118.611 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 :: 8.598 HA :: 4.389 HB2 :: 2.946 HB3 :: 2.915 HD1 :: 7.294 HD2 :: 7.294 HE1 :: 6.821 HE2 :: 6.821 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 :: 114.134 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.22 R 0.2 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.417 CA :: 44.358 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.556 HA2 :: 4.509 HA3 :: 4.006 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.374 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 176.306 CA :: 63.311 CB :: 38.523 CG1 :: 28.880 CG2 :: 17.384 CD1 :: 13.417 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 :: 8.592 HA :: 3.880 HB :: 1.827 HG12 :: 1.491 HG13 :: 1.326 HG21 :: 0.931 HG22 :: 0.931 HG23 :: 0.931 HD11 :: 0.930 HD12 :: 0.930 HD13 :: 0.930 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 :: 122.699 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.21 C 0.17 D 0.13 L 0.09 N 0.05 I 0.04 K 0.04 C Shift Assignments>> C :: 178.292 CA :: 56.660 CB :: 39.924 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 :: 8.411 HA :: 4.457 HB2 :: 2.703 HB3 :: 2.587 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 :: 119.577 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.33 R 0.29 M 0.01 HN Overlap>> 1.Y82 1.Y82 C Shift Assignments>> C :: 178.259 CA :: 56.807 CB :: 31.718 CG :: 24.516 CD :: 27.729 CE :: 41.873 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 :: 7.829 HA :: 4.259 HB2 :: 1.896 HB3 :: 1.888 HG2 :: 1.561 HG3 :: 1.450 HD2 :: 1.811 HD3 :: 1.810 HE2 :: 2.966 HE3 :: 2.965 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 :: 120.734 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 HN Overlap>> 1.F56 1.H81 1.D5 1.F56 1.H81 1.D5 C Shift Assignments>> C :: 176.524 CA :: 65.186 CB :: 36.854 CG1 :: 28.837 CG2 :: 16.575 CD1 :: 13.382 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 :: 7.912 HA :: 3.453 HB :: 1.971 HG12 :: 1.626 HG13 :: 1.036 HG21 :: 0.782 HG22 :: 0.782 HG23 :: 0.782 HD11 :: 0.744 HD12 :: 0.744 HD13 :: 0.744 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 :: 118.918 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.N70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Y 0.18 E 0.18 F 0.11 N 0.09 I 0.04 M 0.04 D 0.03 K 0.01 C Shift Assignments>> C :: 177.480 CA :: 56.184 CB :: 37.412 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 :: 8.117 HA :: 4.264 HB2 :: 2.810 HB3 :: 2.757 HD21 :: 7.694 HD22 :: 6.771 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 :: 117.367 ND2 :: 112.268 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.15 K 0.07 M 0.04 Q 0.04 C Shift Assignments>> C :: 179.171 CA :: 59.254 CB :: 29.843 CG :: 36.092 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 :: 7.744 HA :: 3.956 HB2 :: 2.141 HB3 :: 2.140 HG2 :: 2.346 HG3 :: 2.335 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 :: 120.312 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.I72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 177.819 CA :: 65.180 CB :: 38.134 CG1 :: 28.800 CG2 :: 17.206 CD1 :: 13.511 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 :: 8.135 HA :: 3.453 HB :: 1.636 HG12 :: 0.736 HG13 :: 0.735 HG21 :: 0.578 HG22 :: 0.578 HG23 :: 0.578 HD11 :: 0.441 HD12 :: 0.441 HD13 :: 0.441 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 :: 121.608 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 178.484 CA :: 66.738 CB :: 31.242 CG1 :: 22.337 CG2 :: 20.918 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 :: 8.402 HA :: 3.299 HB :: 1.851 HG11 :: 0.691 HG12 :: 0.691 HG13 :: 0.691 HG21 :: 0.407 HG22 :: 0.407 HG23 :: 0.407 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 :: 118.269 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.15 K 0.08 Q 0.04 M 0.03 C Shift Assignments>> C :: 178.994 CA :: 59.145 CB :: 29.705 CG :: 36.101 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 :: 7.745 HA :: 3.951 HB2 :: 1.997 HB3 :: 1.995 HG2 :: 2.304 HG3 :: 2.157 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 :: 118.405 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.46 C 0.02 I 0.02 C Shift Assignments>> C :: 180.170 CA :: 54.594 CB :: 18.287 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.909 HA :: 4.209 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 :: 122.171 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.M76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.44 A 0.08 C Shift Assignments>> C :: 178.511 CA :: 56.417 CB :: 32.750 CG :: 32.586 CE :: 17.124 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 :: 8.247 HA :: 4.523 HB2 :: 2.145 HB3 :: 2.078 HG2 :: 2.593 HG3 :: 2.592 HE1 :: 2.063 HE2 :: 2.063 HE3 :: 2.063 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 :: 115.846 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K51 1.K51 C Shift Assignments>> C :: 174.636 CA :: 60.585 CB :: 63.592 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.143 HA :: 4.466 HB2 :: 4.065 HB3 :: 4.058 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 :: 116.256 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 H 0.14 W 0.13 E 0.13 C 0.12 Q 0.11 M 0.08 K 0.07 I 0.01 V 0.01 C Shift Assignments>> C :: 176.815 CA :: 56.422 CB :: 30.544 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 :: 7.908 HA :: 4.417 HB2 :: 2.186 HB3 :: 2.187 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 :: 119.814 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 173.664 CA :: 45.513 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.935 HA2 :: 4.056 HA3 :: 3.871 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.958 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.2 K 0.13 C 0.1 N 0.09 F 0.08 Y 0.06 R 0.03 C Shift Assignments>> C :: 175.343 CA :: 54.206 CB :: 41.271 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 :: 8.119 HA :: 4.614 HB2 :: 2.592 HB3 :: 2.590 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 :: 119.395 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.H81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 M 0.14 H 0.14 C 0.13 W 0.11 K 0.1 E 0.1 Q 0.08 V 0.01 HN Overlap>> 1.I69 1.I69 1.D5 1.D5 C Shift Assignments>> C :: 173.890 CA :: 55.719 CB :: 31.217 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 :: 7.995 HA :: 4.628 HB2 :: 2.994 HB3 :: 2.969 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 :: 118.952 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.Y82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 HN Overlap>> 1.K68 1.K68 C Shift Assignments>> C :: 175.318 CA :: 57.840 CB :: 40.003 CD1 :: 133.085 CD2 :: 133.085 CE1 :: 118.190 CE2 :: 118.190 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 :: 7.928 HA :: 4.548 HB3 :: 2.787 HD1 :: 6.981 HD2 :: 6.981 HE1 :: 6.755 HE2 :: 6.755 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 :: 120.714 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.I83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> CA :: 60.419 CB :: 38.562 CG1 :: 27.407 CG2 :: 17.580 CD1 :: 13.215 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 :: 8.181 HA :: 3.884 HB :: 1.455 HG12 :: 1.407 HG13 :: 1.033 HG21 :: 0.513 HG22 :: 0.513 HG23 :: 0.513 HD11 :: 0.784 HD12 :: 0.784 HD13 :: 0.784 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 :: 122.019 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.N84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> N 0.54 C 0.16 D 0.15 Y 0.05 F 0.04 L 0.02 C Shift Assignments>> C :: 176.003 CA :: 51.922 CB :: 38.610 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) FLAG polypeptide(L) 1.F85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 F 0.33 C 0.29 C Shift Assignments>> C :: 176.851 CA :: 57.794 CB :: 38.804 CD1 :: 132.254 CD2 :: 132.254 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 :: 8.805 HA :: 4.643 HB2 :: 3.185 HB3 :: 2.992 HD1 :: 7.261 HD2 :: 7.261 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 :: 124.543 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.856 CA :: 63.357 CB :: 69.529 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 :: 8.137 HA :: 4.373 HB :: 4.760 HG21 :: 1.305 HG22 :: 1.305 HG23 :: 1.305 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 :: 109.885 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 C 0.16 K 0.16 R 0.11 H 0.11 W 0.09 E 0.07 Q 0.06 V 0.01 C Shift Assignments>> C :: 175.916 CA :: 55.649 CB :: 32.174 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 :: 7.526 HA :: 4.366 HB2 :: 1.983 HB3 :: 1.748 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 :: 119.432 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> CA :: 63.763 CB :: 31.820 CG1 :: 21.979 CG2 :: 21.326 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 :: 7.409 HA :: 3.725 HB :: 2.055 HG11 :: 0.935 HG12 :: 0.935 HG13 :: 0.935 HG21 :: 0.847 HG22 :: 0.847 HG23 :: 0.847 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 :: 121.767 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.H89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.2 C 0.16 K 0.15 R 0.11 H 0.11 W 0.09 E 0.06 Q 0.06 V 0.01 C Shift Assignments>> C :: 173.723 CA :: 55.205 CB :: 32.129 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 :: 5.021 HB2 :: 3.117 HB3 :: 3.102 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.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 C 0.11 N 0.1 K 0.09 R 0.06 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 174.032 CA :: 52.337 CB :: 41.959 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 :: 4.450 HB2 :: 2.827 HB3 :: 2.824 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 :: 117.359 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.Q91 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.31 Q 0.19 K 0.19 E 0.17 I 0.06 M 0.03 R 0.02 HN Overlap>> 1.D27 1.D27 C Shift Assignments>> C :: 174.882 CA :: 59.882 CB :: 29.243 CG :: 34.285 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 :: 8.391 HA :: 3.080 HB2 :: 1.744 HB3 :: 1.541 HG2 :: 0.968(S) HG3 :: 0.965(S) HE21 :: 7.308 HE22 :: 6.965 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 :: 118.582 NE2 :: 113.158 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.24 K 0.06 Q 0.02 M 0.01 C Shift Assignments>> C :: 177.649 CA :: 59.807 CB :: 29.356 CG :: 36.376 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 :: 7.785 HA :: 3.486 HB2 :: 1.848 HB3 :: 1.755 HG2 :: 1.994 HG3 :: 1.987 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 :: 117.525 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.764 CA :: 61.588 CB :: 62.337 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.235 HA :: 3.101 HB2 :: 3.762 HB3 :: 3.725 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 :: 112.286 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 L 0.34 V 0.02 C Shift Assignments>> C :: 177.587 CA :: 58.756 CB :: 40.436 CG :: 27.106 CD1 :: 22.452 CD2 :: 22.455 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 :: 8.101 HA :: 3.801 HB2 :: 1.741 HB3 :: 1.111 HG :: 0.834 HD11 :: 0.835 HD12 :: 0.835 HD13 :: 0.835 HD21 :: 0.834 HD22 :: 0.834 HD23 :: 0.834 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 :: 127.493 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.F95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 F 0.07 HN Overlap>> 1.S114 1.S114 C Shift Assignments>> C :: 178.307 CA :: 56.881 CB :: 35.373 CD1 :: 129.133 CD2 :: 129.133 CE1 :: 129.826 CE2 :: 129.826 CZ :: 127.506 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 :: 8.190 HA :: 3.736 HB2 :: 2.713 HB3 :: 1.914 HD1 :: 6.222 HD2 :: 6.222 HE1 :: 6.047 HE2 :: 6.047 HZ :: 6.338 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 :: 119.810 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.4 C 0.05 L 0.02 V 0.02 I 0.01 HN Overlap>> 1.Y63 1.Y63 C Shift Assignments>> C :: 178.903 CA :: 55.091 CB :: 19.557 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.626 HA :: 3.775 HB1 :: 1.032 HB2 :: 1.032 HB3 :: 1.032 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.269 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.S21 1.S21 C Shift Assignments>> C :: 176.306 CA :: 67.227 CB :: 67.721 CG2 :: 22.337 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 :: 7.821 HA :: 4.218 HB :: 3.771 HG21 :: 1.227 HG22 :: 1.227 HG23 :: 1.227 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 :: 115.142 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.I98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 C 0.03 C Shift Assignments>> C :: 177.258 CA :: 67.418 CB :: 37.974 CG2 :: 16.775 CD1 :: 13.660 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 :: 8.233 HA :: 3.550 HB :: 2.055 HG21 :: 1.150 HG22 :: 1.150 HG23 :: 1.150 HD11 :: 0.861 HD12 :: 0.861 HD13 :: 0.861 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 :: 123.611 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.16 L 0.04 C Shift Assignments>> C :: 175.465 CA :: 46.862 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.463 HA2 :: 4.222 HA3 :: 3.685 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.365 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.15 C Shift Assignments>> C :: 177.216 CA :: 64.139 CB :: 37.167 CG1 :: 30.604 CG2 :: 17.821 CD1 :: 13.520 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 :: 8.846 HA :: 3.974 HB :: 2.013 HG12 :: 1.230 HG13 :: 1.224 HG21 :: 1.186 HG22 :: 1.186 HG23 :: 1.186 HD11 :: 0.436 HD12 :: 0.436 HD13 :: 0.436 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 :: 121.398 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.C101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.08 V 0.01 C Shift Assignments>> C :: 176.004 CA :: 65.440 CB :: 26.596 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.018 HA :: 3.975 HB2 :: 3.437 HB3 :: 2.493 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 :: 121.193 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.44 C 0.03 I 0.02 V 0.01 C Shift Assignments>> C :: 178.321 CA :: 54.865 CB :: 18.834 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.005 HA :: 3.922 HB1 :: 1.579 HB2 :: 1.579 HB3 :: 1.579 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.678 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.K103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 C 0.15 R 0.13 E 0.13 H 0.1 K 0.08 M 0.08 Q 0.07 V 0.05 I 0.03 C Shift Assignments>> C :: 180.363 CA :: 58.548 CB :: 31.121 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 :: 8.040 HA :: 3.950 HB2 :: 1.950 HB3 :: 1.946 HG2 :: 1.675 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 :: 115.228 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.I104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> C :: 176.525 CA :: 65.509 CB :: 37.471 CG1 :: 30.247 CG2 :: 16.975 CD1 :: 15.442 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 :: 8.531 HA :: 3.318 HB :: 1.658 HG12 :: 1.690 HG13 :: 0.581 HG21 :: -0.087 HG22 :: -0.087 HG23 :: -0.087 HD11 :: 0.679 HD12 :: 0.679 HD13 :: 0.679 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 :: 121.821 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.T105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 178.953 CA :: 65.734 CB :: 67.875 CG2 :: 23.088 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 :: 8.038 HA :: 3.958 HB :: 4.222 HG21 :: 1.175 HG22 :: 1.175 HG23 :: 1.175 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 :: 112.244 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 I 0.31 E 0.22 M 0.02 C Shift Assignments>> C :: 177.202 CA :: 60.191 CB :: 31.052 CG :: 37.815 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 :: 8.233 HA :: 3.945 HB2 :: 2.155 HB3 :: 2.144 HG2 :: 2.188 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 :: 125.301 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.H107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 C 0.16 I 0.16 E 0.11 R 0.09 V 0.07 H 0.07 Q 0.06 K 0.06 M 0.02 HN Overlap>> 1.L136 1.L136 C Shift Assignments>> C :: 178.808 CA :: 60.326 CB :: 29.872 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 :: 7.903 HA :: 4.447 HB2 :: 3.353 HB3 :: 3.090 HD2 :: 6.654 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 :: 120.172 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.W108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.56 C 0.42 C Shift Assignments>> C :: 178.863 CA :: 58.632 CB :: 28.195 CD1 :: 124.188 CE3 :: 120.416 CZ2 :: 114.421 CZ3 :: 121.601 CH2 :: 124.694 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 :: 8.561 HA :: 4.449 HB2 :: 3.390 HB3 :: 3.209 HD1 :: 7.101 HE1 :: 9.959 HE3 :: 7.321 HZ2 :: 7.327 HZ3 :: 6.828 HH2 :: 6.952 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 :: 118.661 NE1 :: 127.252 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) FLAG polypeptide(L) 1.G109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 C 0.24 L 0.03 A 0.02 N 0.01 C Shift Assignments>> C :: 176.664 CA :: 47.455 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.196 HA2 :: 3.812 HA3 :: 3.476 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.482 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.Y110 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>> C :: 177.749 CA :: 61.386 CB :: 38.029 CD1 :: 133.456 CD2 :: 133.456 CE1 :: 118.184 CE2 :: 118.184 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 :: 8.111 HA :: 4.230 HB2 :: 3.057 HB3 :: 3.037 HD1 :: 7.181 HD2 :: 7.181 HE1 :: 6.754 HE2 :: 6.754 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 :: 122.819 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.K111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.35 R 0.12 M 0.07 Q 0.03 V 0.01 HN Overlap>> 1.F139 1.F139 C Shift Assignments>> C :: 175.324 CA :: 55.991 CB :: 32.439 CG :: 24.770 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 :: 7.732 HA :: 4.246 HB2 :: 2.009 HB3 :: 1.830 HG2 :: 1.360 HG3 :: 1.320 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 :: 118.176 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.28 K 0.22 L 0.05 M 0.02 C Shift Assignments>> C :: 175.681 CA :: 57.084 CB :: 29.776 CG :: 25.091 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 :: 7.954 HA :: 3.814 HB2 :: 2.027 HB3 :: 1.866 HG2 :: 1.335 HG3 :: 1.316 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 :: 115.495 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.I113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 175.539 CA :: 60.831 CB :: 38.574 CG1 :: 27.220 CG2 :: 16.929 CD1 :: 13.209 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 :: 8.026 HA :: 4.100 HB :: 1.715 HG12 :: 1.414 HG13 :: 1.027 HG21 :: 0.622 HG22 :: 0.622 HG23 :: 0.622 HD11 :: 0.747 HD12 :: 0.747 HD13 :: 0.747 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 :: 120.779 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.S114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.F95 1.F95 C Shift Assignments>> C :: 174.365 CA :: 58.128 CB :: 64.236 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.245 HA :: 4.763 HB2 :: 3.823 HB3 :: 3.747 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 :: 119.830 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.E115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.1 M 0.09 Q 0.09 K 0.09 R 0.08 C 0.08 L 0.07 E 0.06 W 0.06 Y 0.05 F 0.05 D 0.03 S 0.03 N 0.01 A 0.01 C Shift Assignments>> C :: 176.038 CA :: 56.391 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 :: 7.994 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 :: 122.453 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.S116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.477 CA :: 58.698 CB :: 64.029 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.304 HA :: 4.457 HB2 :: 3.811 HB3 :: 3.808 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 :: 116.803 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.R117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.11 H 0.1 Q 0.09 L 0.09 K 0.08 R 0.08 C 0.07 E 0.06 W 0.06 Y 0.05 F 0.04 D 0.04 S 0.02 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.154 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 :: 8.099 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 :: 121.111 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.F118 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.Q119 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.S120 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.L121 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 176.150 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) FLAG polypeptide(L) 1.G122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.14 C 0.09 R 0.08 F 0.01 D 0.01 C Shift Assignments>> C :: 172.372 CA :: 44.897 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.712 HA2 :: 4.035 HA3 :: 3.695 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.771 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.N123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.28 N 0.24 D 0.13 L 0.06 C 0.05 M 0.04 H 0.04 R 0.02 Q 0.02 K 0.02 W 0.02 Y 0.01 F 0.01 E 0.01 HN Overlap>> 1.L140 1.L140 C Shift Assignments>> CA :: 52.701 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 :: 8.748 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 :: 118.312 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.I124 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 177.132 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) FLAG polypeptide(L) 1.T125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 175.560 CA :: 65.403 CB :: 68.072 CG2 :: 22.240 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 :: 8.027 HA :: 3.782 HB :: 4.219 HG21 :: 1.242 HG22 :: 1.242 HG23 :: 1.242 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 :: 114.358 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.D126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.17 K 0.16 D 0.16 F 0.15 C 0.12 Y 0.12 R 0.03 N 0.03 I 0.01 C Shift Assignments>> C :: 176.838 CA :: 56.218 CB :: 41.047 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 :: 7.682 HB2 :: 3.075 HB3 :: 3.064 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 :: 119.519 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.L127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.3 R 0.12 G 0.03 A 0.01 C Shift Assignments>> C :: 176.889 CA :: 56.125 CB :: 42.658 CG :: 27.267 CD1 :: 23.316 CD2 :: 25.159 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 :: 6.996 HA :: 4.280 HB2 :: 1.713 HB3 :: 1.685 HG :: 1.427 HD11 :: 0.846 HD12 :: 0.846 HD13 :: 0.846 HD21 :: 0.544 HD22 :: 0.544 HD23 :: 0.544 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 :: 118.069 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.M128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.45 C 0.44 M 0.09 HN Overlap>> 1.I26 1.L144 1.I26 1.L144 C Shift Assignments>> C :: 175.383 CA :: 51.493 CB :: 27.764 CG :: 31.170 CE :: 15.960 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 :: 7.940 HA :: 4.808 HB2 :: 1.980 HB3 :: 1.729 HG2 :: 2.432 HG3 :: 2.425 HE1 :: 1.717 HE2 :: 1.717 HE3 :: 1.717 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 :: 117.684 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.T129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 174.874 CA :: 60.592 CB :: 70.864 CG2 :: 22.282 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 :: 7.412 HA :: 4.309 HB :: 4.716 HG21 :: 1.326 HG22 :: 1.326 HG23 :: 1.326 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 :: 110.890 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.D130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.23 C 0.17 I 0.11 K 0.07 L 0.06 D 0.03 R 0.01 C Shift Assignments>> C :: 178.404 CA :: 58.739 CB :: 40.428 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 :: 8.939 HA :: 4.271 HB2 :: 2.606 HB3 :: 2.606 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 :: 121.017 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.D131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.19 C 0.15 L 0.12 K 0.11 D 0.1 I 0.04 N 0.02 R 0.01 C Shift Assignments>> C :: 178.255 CA :: 57.189 CB :: 40.549 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 :: 8.346 HA :: 4.403 HB2 :: 2.593 HB3 :: 2.440 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 :: 116.432 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.N132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.17 N 0.16 Y 0.14 F 0.08 M 0.05 D 0.03 I 0.02 K 0.02 C Shift Assignments>> C :: 177.993 CA :: 55.310 CB :: 37.158 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 :: 7.526 HA :: 4.617 HB2 :: 3.038 HB3 :: 2.594 HD21 :: 8.247 HD22 :: 6.470 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 :: 120.964 ND2 :: 108.709 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.I133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 C 0.04 C Shift Assignments>> C :: 177.294 CA :: 66.802 CB :: 38.229 CG1 :: 30.579 CG2 :: 17.495 CD1 :: 13.761 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 :: 8.963 HA :: 3.361 HB :: 1.956 HG12 :: 1.644 HG13 :: 0.690 HG21 :: 0.867 HG22 :: 0.867 HG23 :: 0.867 HD11 :: 0.861 HD12 :: 0.861 HD13 :: 0.861 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 :: 122.493 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.N134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.21 F 0.14 E 0.13 N 0.08 I 0.05 D 0.04 M 0.02 L 0.01 C Shift Assignments>> C :: 177.413 CA :: 56.424 CB :: 37.817 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 :: 7.793 HA :: 4.441 HB2 :: 2.971 HB3 :: 2.880 HD21 :: 7.803 HD22 :: 6.974 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 :: 117.059 ND2 :: 113.475 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.I135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 HN Overlap>> 1.T31 1.T31 C Shift Assignments>> C :: 178.971 CA :: 65.446 CB :: 38.059 CG1 :: 29.103 CG2 :: 17.663 CD1 :: 12.465 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 :: 7.821 HA :: 3.652 HB :: 1.886 HG12 :: 1.904 HG13 :: 0.981 HG21 :: 0.703 HG22 :: 0.703 HG23 :: 0.703 HD11 :: 0.691 HD12 :: 0.691 HD13 :: 0.691 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 :: 118.660 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.L136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 L 0.33 R 0.21 G 0.03 K 0.02 HN Overlap>> 1.H107 1.H107 C Shift Assignments>> C :: 178.030 CA :: 58.770 CB :: 42.438 CG :: 27.113 CD1 :: 24.704 CD2 :: 26.974 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 :: 7.962 HA :: 4.309 HB2 :: 1.991 HB3 :: 1.622 HG :: 1.630 HD11 :: 0.976 HD12 :: 0.976 HD13 :: 0.976 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 :: 120.114 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.I137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 177.081 CA :: 65.672 CB :: 37.761 CG1 :: 29.601 CG2 :: 17.279 CD1 :: 13.664 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 :: 8.929 HA :: 3.711 HB :: 1.886 HG12 :: 1.672 HG13 :: 1.212 HG21 :: 0.990 HG22 :: 0.990 HG23 :: 0.990 HD11 :: 0.864 HD12 :: 0.864 HD13 :: 0.864 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 :: 119.012 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.L138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.37 R 0.07 C Shift Assignments>> C :: 179.914 CA :: 58.008 CB :: 41.826 CG :: 27.176 CD1 :: 23.426 CD2 :: 25.039 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 :: 8.108 HA :: 4.111 HB2 :: 1.875 HB3 :: 1.561 HG :: 1.837 HD11 :: 0.913 HD12 :: 0.913 HD13 :: 0.913 HD21 :: 0.906 HD22 :: 0.906 HD23 :: 0.906 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 :: 119.950 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.F139 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.44 C 0.3 F 0.24 HN Overlap>> 1.K111 1.K111 C Shift Assignments>> C :: 177.501 CA :: 61.497 CB :: 40.588 CD1 :: 130.856 CD2 :: 130.856 CE1 :: 133.337(A) CE2 :: 133.337(A) 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 :: 7.708 HA :: 4.324 HB2 :: 3.496 HB3 :: 3.381 HD1 :: 7.193 HD2 :: 7.193 HE1 :: 7.041 HE2 :: 7.041 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 :: 118.183 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.L140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.37 R 0.09 A 0.02 G 0.01 HN Overlap>> 1.N123 1.N123 C Shift Assignments>> C :: 179.072 CA :: 57.649 CB :: 42.132 CG :: 26.731 CD1 :: 25.553 CD2 :: 21.649 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 :: 8.791 HA :: 3.747 HB2 :: 1.999 HB3 :: 1.138 HG :: 2.089 HD11 :: 0.676 HD12 :: 0.676 HD13 :: 0.676 HD21 :: 0.701 HD22 :: 0.701 HD23 :: 0.701 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 :: 118.407 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.E141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.28 K 0.03 M 0.01 C Shift Assignments>> C :: 178.725 CA :: 59.720 CB :: 29.574 CG :: 36.937 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 :: 8.911 HA :: 3.856 HB2 :: 2.183 HB3 :: 1.973 HG2 :: 2.440 HG3 :: 2.183 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 :: 119.190 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.K142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.36 R 0.15 M 0.04 V 0.03 Q 0.02 C Shift Assignments>> C :: 178.701 CA :: 58.032 CB :: 32.122 CG :: 24.916 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 :: 7.068 HA :: 4.093 HB2 :: 1.865 HB3 :: 1.864 HG2 :: 1.579 HG3 :: 1.452 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 :: 116.174 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.K143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.31 K 0.21 A 0.02 M 0.02 C Shift Assignments>> C :: 178.113 CA :: 55.786 CB :: 32.373 CG :: 22.701 CD :: 26.944 CE :: 41.842 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 :: 7.431 HA :: 4.054 HB2 :: 1.542 HB3 :: 1.541 HG2 :: 0.877 HG3 :: 0.873 HD2 :: 1.341 HD3 :: 1.340 HE2 :: 2.823 HE3 :: 2.655 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 :: 115.998 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.L144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.27 R 0.08 A 0.08 HN Overlap>> 1.M128 1.M128 C Shift Assignments>> C :: 176.164 CA :: 54.530 CB :: 41.775 CG :: 26.857 CD1 :: 26.790 CD2 :: 22.543 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 :: 7.880 HA :: 4.441 HB2 :: 1.667 HB3 :: 1.665 HG :: 1.551 HD11 :: 0.663 HD12 :: 0.663 HD13 :: 0.663 HD21 :: 0.665 HD22 :: 0.665 HD23 :: 0.665 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 :: 117.654 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.N145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 N 0.15 C 0.14 F 0.13 Y 0.13 L 0.12 K 0.04 I 0.01 C Shift Assignments>> CA :: 54.981 CB :: 40.030 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 :: 7.499 HA :: 4.468 HB2 :: 2.786 HB3 :: 2.785 HD21 :: 7.582 HD22 :: 6.900 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 :: 124.579 ND2 :: 112.804 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) ########################################################################### Overall Results: #Consistent: 138 #Clerical: 0 #Suspicious: 3 #Anomalous: 4 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 139 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 145 #Suspicious: 0 C Shift Results: #Consistent: 608 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 4 H Shift Results: #Consistent: 934 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 2 N Shift Results: #Consistent: 145 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V11 HA = 1.579(A), Expected = 4.16, Std = 0.5700, ChiSquare = 5.9525e-06 1.E28 HG2 = 3.233(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.1065e-05 1.W32 HD1 = 5.393(A), Expected = 7.16, Std = 0.3400, ChiSquare = 2.0247e-07 1.F39 CE1 = 133.427(A), Expected = 130.48, Std = 1.2900, ChiSquare = 2.2342e-02 1.F39 CE2 = 133.427(A), Expected = 130.60, Std = 0.9700, ChiSquare = 3.5634e-03 1.L53 HA = 2.646(S), Expected = 4.32, Std = 0.4700, ChiSquare = 3.6846e-04 1.L53 HB3 = -0.168(S), Expected = 1.57, Std = 0.3600, ChiSquare = 1.3807e-06 1.Q91 HG2 = 0.968(S), Expected = 2.32, Std = 0.2900, ChiSquare = 3.1305e-06 1.Q91 HG3 = 0.965(S), Expected = 2.32, Std = 0.2900, ChiSquare = 2.9768e-06 1.F139 CE1 = 133.337(A), Expected = 130.48, Std = 1.2900, ChiSquare = 2.6779e-02 1.F139 CE2 = 133.337(A), Expected = 130.60, Std = 0.9700, ChiSquare = 4.7777e-03