Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 FLAG polypeptide(L) 1.T1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HB :: 4.005 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) FLAG polypeptide(L) 1.F2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.41 F 0.29 C 0.29 C Shift Assignments>> C :: 174.851 CA :: 57.831 CB :: 39.665 CD1 :: 132.8 CD2 :: 132.8 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>> HA :: 4.64 HB2 :: 3.063 HB3 :: 2.997 HD1 :: 7.24 HD2 :: 7.24 HE1 :: 7.21 HE2 :: 7.21 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) FLAG polypeptide(L) 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.25 R 0.08 G 0.06 A 0.01 C Shift Assignments>> C :: 176.075 CA :: 54.846 CB :: 43.036 CG :: 27.203 CD1 :: 24.864 CD2 :: 23.830 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 :: 8.019 HA :: 4.257 HB2 :: 1.479 HB3 :: 1.479 HG :: 1.424 HD11 :: 0.838 HD12 :: 0.838 HD13 :: 0.838 HD21 :: 0.785 HD22 :: 0.785 HD23 :: 0.785 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 :: 124.428 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.13 K 0.07 Q 0.05 I 0.03 C Shift Assignments>> C :: 175.404 CA :: 56.274 CB :: 30.495 CG :: 36.176 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 :: 8.188 HA :: 4.188 HB2 :: 2.0 HB3 :: 1.893 HG2 :: 2.157 HG3 :: 2.239 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 :: 122.557 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.21 G 0.15 R 0.1 A 0.01 HN Overlap>> 1.I90 1.I90 C Shift Assignments>> C :: 176.120 CA :: 54.318 CB :: 43.8 CG :: 27.203 CD1 :: 25.9 CD2 :: 23.65 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 :: 8.230 HA :: 4.50 HB2 :: 1.554 HB3 :: 1.554 HG :: 1.475 HD11 :: 0.491 HD12 :: 0.491 HD13 :: 0.491 HD21 :: 0.566 HD22 :: 0.566 HD23 :: 0.566 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 :: 123.052 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 175.419 CA :: 60.816 CB :: 34.252 CG1 :: 21.403 CG2 :: 20.128 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 :: 8.675 HA :: 4.451 HB :: 2.188 HG11 :: 1.020 HG12 :: 1.020 HG13 :: 1.020 HG21 :: 0.956 HG22 :: 0.956 HG23 :: 0.956 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 :: 121.389 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 K 0.09 M 0.08 Q 0.05 I 0.05 C Shift Assignments>> C :: 176.255 CA :: 56.735 CB :: 29.999 CG :: 36.176 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 :: 8.813 HA :: 4.282 HB2 :: 1.864 HB3 :: 1.864 HG2 :: 2.198 HG3 :: 2.198 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 :: 126.572 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 V 0.49 C Shift Assignments>> C :: 175.747 CA :: 59.174 CB :: 33.058 CG1 :: 21.062 CG2 :: 20.947 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 :: 8.719 HA :: 4.5 HB :: 1.857 HG11 :: 0.895 HG12 :: 0.895 HG13 :: 0.895 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 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 :: 128.892 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.56 C 0.42 C Shift Assignments>> C :: 175.449 CA :: 62.905 CB :: 28.5 CG :: 27 CD :: 51.1 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.90 HB2 :: 2.61 HB3 :: 1.823 HG2 :: 2.176 HG3 :: 2.013 HD2 :: 3.7 HD3 :: 3.852 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.C10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 G 0.18 L 0.02 C Shift Assignments>> C :: 172.777 CA :: 54.542 CB :: 48.729 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.909 HA :: 5.003 HB2 :: 3.333 HB3 :: 3.333 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 :: 117.279 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.22 D 0.22 C 0.16 Y 0.13 F 0.12 L 0.07 I 0.01 E 0.01 K 0.01 C Shift Assignments>> C :: 174.613 CA :: 54.697 CB :: 39.401 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 :: 8.644 HA :: 4.685 HB2 :: 2.891 HB3 :: 2.891 HD21 :: 6.625 HD22 :: 6.625 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 :: 115.501 ND2 :: 112.650 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 172.359 CA :: 57.458 CB :: 65.367 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.497 HA :: 4.62 HB2 :: 3.818 HB3 :: 3.646 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 :: 110.920 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 174.344 CA :: 61.406 CB :: 33.506 CG1 :: 21.7 CG2 :: 21.7 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 :: 8.996 HA :: 4.419 HB :: 2.206 HG11 :: 0.93 HG12 :: 0.93 HG13 :: 0.93 HG21 :: 0.93 HG22 :: 0.93 HG23 :: 0.93 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.681 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.H14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.17 Q 0.14 C 0.13 R 0.12 W 0.11 K 0.11 E 0.09 M 0.06 L 0.01 C Shift Assignments>> C :: 173.956 CA :: 54.500 CB :: 29.749 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 :: 5.009 HB2 :: 3.178 HB3 :: 2.953 HD2 :: 7.379 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.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> C :: 174.986 CA :: 62.532 CB :: 32.634 CG1 :: 21.8 CG2 :: 22.3 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 :: 8.829 HA :: 4.087 HB :: 2.375 HG11 :: 1.07 HG12 :: 1.07 HG13 :: 1.07 HG21 :: 0.875 HG22 :: 0.875 HG23 :: 0.875 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 :: 125.456 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.32 M 0.11 K 0.1 Q 0.08 I 0.02 C Shift Assignments>> C :: 175.837 CA :: 55.518 CB :: 30.148 CG :: 35.907 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 :: 8.400 HA :: 4.606 HB2 :: 1.981 HB3 :: 1.842 HG2 :: 2.247 HG3 :: 2.191 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 :: 125.016 NE2 :: 111.297 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.37 L 0.23 R 0.2 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.941 CA :: 44.324 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.717 HA2 :: 4.248 HA3 :: 3.816 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.678 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 175.479 CA :: 62.18 CB :: 33.6 CG1 :: 20.860 CG2 :: 20.860 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 :: 8.462 HA :: 4.047 HB :: 1.893 HG11 :: 0.827 HG12 :: 0.827 HG13 :: 0.827 HG21 :: 0.827 HG22 :: 0.827 HG23 :: 0.827 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 :: 120.705 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.M19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 M 0.35 Q 0.13 E 0.11 K 0.01 C Shift Assignments>> C :: 174.419 CA :: 56.786 CB :: 34.103 CG :: 32.625 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 :: 7.630 HA :: 4.315 HB2 :: 2.281 HB3 :: 1.888 HG2 :: 2.661 HG3 :: 2.526 HE1 :: 0.881 HE2 :: 0.881 HE3 :: 0.881 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 :: 125.351 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.T20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.19 S 0.02 C Shift Assignments>> C :: 173.195 CA :: 59.805 CB :: 68.105 CG2 :: 22.083 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 :: 7.658 HA :: 4.593 HB :: 4.43 HG21 :: 1.218 HG22 :: 1.218 HG23 :: 1.218 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 :: 115.892 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.P21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 176.613 CA :: 64.900 CB :: 32.123 CG :: 28 CD :: 51.342 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.584 HB2 :: 2.29 HB3 :: 1.787 HG2 :: 1.75 HG3 :: 2.047 HD2 :: 3.77 HD3 :: 3.638 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 N 0.22 Y 0.16 F 0.1 E 0.09 D 0.08 M 0.02 I 0.02 L 0.01 C Shift Assignments>> C :: 174.270 CA :: 55.070 CB :: 37.833 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 :: 8.610 HA :: 4.349 HB2 :: 3.0 HB3 :: 2.8 HD21 :: 6.923 HD22 :: 6.923 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 :: 113.766 ND2 :: 112.581 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.19 M 0.16 E 0.09 R 0.03 C Shift Assignments>> C :: 175.374 CA :: 55.164 CB :: 30.122 CG :: 33.6 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.538 HA :: 4.516 HB2 :: 1.88 HB3 :: 2.096 HG2 :: 2.166 HG3 :: 2.250 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.580 NE2 :: 111.297 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.M24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 M 0.11 K 0.03 A 0.03 C Shift Assignments>> C :: 173.912 CA :: 55.019 CB :: 37.251 CG :: 31.271 CE :: 23.56 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 :: 8.939 HA :: 5.187 HB2 :: 1.832 HB3 :: 1.699 HG2 :: 2.158 HG3 :: 2.158 HE1 :: 0.558 HE2 :: 0.558 HE3 :: 0.558 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 :: 117.807 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.45 C Shift Assignments>> C :: 173.494 CA :: 60.937 CB :: 34.949 CG1 :: 20.733 CG2 :: 20.233 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 :: 8.090 HA :: 4.543 HB :: 1.130 HG11 :: 0.536 HG12 :: 0.536 HG13 :: 0.536 HG21 :: 0.290 HG22 :: 0.290 HG23 :: 0.290 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 :: 116.295 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 C 0.23 Y 0.1 D 0.07 E 0.07 F 0.06 M 0.03 L 0.01 C Shift Assignments>> C :: 173.628 CA :: 53.951 CB :: 37.610 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 :: 8.780 HA :: 5.009 HB2 :: 1.585 HB3 :: 1.427 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 :: 126.778 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.49 HN Overlap>> 1.C110 1.C110 C Shift Assignments>> C :: 175.359 CA :: 60.765 CB :: 35.471 CG1 :: 20.7 CG2 :: 20.7 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.340 HA :: 5.256 HB :: 2.277 HG11 :: 1.094 HG12 :: 1.094 HG13 :: 1.094 HG21 :: 1.094 HG22 :: 1.094 HG23 :: 1.094 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 :: 126.465 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.76 C 0.23 HN Overlap>> 1.S63 1.S63 C Shift Assignments>> C :: 171.300 CA :: 59.920 CB :: 71.584 CG2 :: 22.204 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.413 HA :: 5.364 HB :: 4.474 HG21 :: 1.07 HG22 :: 1.07 HG23 :: 1.07 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 :: 118.768 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 172.345 CA :: 45.468 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.274 HA2 :: 4.416 HA3 :: 3.331 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.721 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.13 C 0.02 HN Overlap>> 1.V160 1.V160 C Shift Assignments>> C :: 174.926 CA :: 51.488 CB :: 19.128 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.017 HA :: 4.658 HB1 :: 1.297 HB2 :: 1.297 HB3 :: 1.297 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.308 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.17 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.553 CA :: 44.698 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.353 HA2 :: 4.601 HA3 :: 4.371 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.348 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.W32 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 H 0.3 C Shift Assignments>> C :: 173.330 CA :: 58.377 CB :: 30.670 CD1 :: 129.5 CH2 :: 129.5(A) 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 :: 9.635 HA :: 5.278 HB2 :: 3.379 HB3 :: 3.246 HD1 :: 7.311 HE1 :: 9.530 HZ2 :: 6.71 HZ3 :: 7.24 HH2 :: 7.34 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 :: 120.519 NE1 :: 129.1 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) FLAG polypeptide(L) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.29 L 0.28 C 0.12 G 0.1 D 0.05 F 0.04 K 0.04 Y 0.03 C Shift Assignments>> C :: 175.210 CA :: 56.1 CB :: 43.754 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 :: 8.515 HA :: 4.922 HB2 :: 2.646 HB3 :: 2.646 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 :: 118.150 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.N34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.17 L 0.17 C 0.11 K 0.07 F 0.05 Y 0.04 R 0.02 C Shift Assignments>> C :: 174.508 CA :: 52.682 CB :: 41.191 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 :: 7.722 HA :: 4.639 HB2 :: 2.873 HB3 :: 2.873 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 :: 113.186 ND2 :: 113.866 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.13 L 0.05 C Shift Assignments>> C :: 174.180 CA :: 46.489 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.153 HA2 :: 4.202 HA3 :: 3.958 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.757 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.35 HN Overlap>> 1.N173 1.N173 C Shift Assignments>> C :: 174.911 CA :: 61.287 CB :: 34.109 CG1 :: 21.398 CG2 :: 20.771 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 :: 8.238 HA :: 4.299 HB :: 1.676 HG11 :: 0.454 HG12 :: 0.454 HG13 :: 0.454 HG21 :: 0.415 HG22 :: 0.415 HG23 :: 0.415 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 :: 121.650 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.L37 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.85 G 0.09 A 0.03 C Shift Assignments>> C :: 174.046 CA :: 54.00 CB :: 42.3 CG :: 42.2(A) CD1 :: 24.3 CD2 :: 24.8 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 :: 7.974 HA :: 3.868 HB2 :: 0.509(S) HB3 :: 0.509 HG :: -1.0(S) HD11 :: -0.15(S) HD12 :: -0.15(S) HD13 :: -0.15(S) HD21 :: -0.05 HD22 :: -0.05 HD23 :: -0.05 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 :: 128.459 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.21 E 0.2 HN Overlap>> 1.A171 1.A171 C Shift Assignments>> C :: 174.225 CA :: 54.268 CB :: 32.567 CG :: 36.993 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 :: 8.299 HA :: 5.44 HB2 :: 1.552 HB3 :: 1.552 HG2 :: 1.95 HG3 :: 1.956 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 :: 127.069 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.F39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.35 C Shift Assignments>> C :: 173.762 CA :: 56.115 CB :: 41.564 CD1 :: 131.72 CD2 :: 131.72 CE1 :: 130.5 CE2 :: 130.5 CZ :: 130.5 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 :: 9.188 HA :: 4.953 HB2 :: 2.30 HB3 :: 1.777 HD1 :: 6.561 HD2 :: 6.561 HE1 :: 6.972 HE2 :: 6.972 HZ :: 7.30 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 :: 129.999 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.Y40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 C 0.46 G 0.02 C Shift Assignments>> C :: 171.583 CA :: 55.000 CB :: 41.990 CD1 :: 133.92 CD2 :: 133.92 CE1 :: 118.5 CE2 :: 118.5 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 :: 7.849 HA :: 5.303 HB2 :: 2.611 HB3 :: 2.491 HD1 :: 6.35 HD2 :: 6.35 HE1 :: 6.31 HE2 :: 6.31 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.556 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.45 C Shift Assignments>> C :: 176.911 CA :: 59.448 CB :: 34.743 CG1 :: 21.666 CG2 :: 21.4 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 :: 8.179 HA :: 4.927 HB :: 1.677 HG11 :: 0.61 HG12 :: 0.61 HG13 :: 0.61 HG21 :: 0.481 HG22 :: 0.481 HG23 :: 0.481 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 :: 116.582 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.T42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.68 C 0.29 A 0.01 C Shift Assignments>> C :: 171.897 CA :: 59.398 CB :: 72.381 CG2 :: 20.860 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.064 HA :: 4.922 HB :: 3.903 HG21 :: 0.708 HG22 :: 0.708 HG23 :: 0.708 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 :: 118.511 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.34 G 0.16 K 0.11 HN Overlap>> 1.F151 1.F151 C Shift Assignments>> C :: 172.539 CA :: 53.279 CB :: 31.491 CG :: 25.9 CD :: 43.538 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 :: 8.594 HA :: 4.934 HB2 :: 1.867 HB3 :: 1.867 HG2 :: 1.483 HG3 :: 1.425 HD2 :: 3.095 HD3 :: 3.052 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 :: 116.961 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.P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 176.508 CA :: 63.396 CB :: 32.139 CG :: 28.2 CD :: 50.307 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.684 HB2 :: 2.303 HB3 :: 1.900 HG2 :: 1.93 HG3 :: 2.055 HD2 :: 3.707 HD3 :: 3.707 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.494 CA :: 62.018 CB :: 69.919 CG2 :: 21.777 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 :: 8.236 HA :: 4.267 HB :: 4.064 HG21 :: 1.07 HG22 :: 1.07 HG23 :: 1.07 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 :: 116.277 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.4 R 0.15 M 0.02 HN Overlap>> 1.L163 1.L163 C Shift Assignments>> C :: 176.732 CA :: 56.661 CB :: 33.482 CG :: 24.822 CD :: 29.000 CE :: 41.908 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 :: 8.500 HA :: 4.438 HB2 :: 1.889 HB3 :: 1.777 HG2 :: 1.386 HG3 :: 1.386 HD2 :: 1.647 HD3 :: 1.655 HE2 :: 2.961 HE3 :: 2.982 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 :: 122.400 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.T47 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 :: 175.120 CA :: 62.117 CB :: 69.919 CG2 :: 21.666 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 :: 8.010 HA :: 4.315 HB :: 4.200 HG21 :: 1.163 HG22 :: 1.163 HG23 :: 1.163 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 :: 113.888 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 R 0.01 C Shift Assignments>> C :: 174.688 CA :: 45.967 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.435 HA2 :: 4.058 HA3 :: 3.857 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.146 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.G49 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 :: 173.912 CA :: 45.519 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.272 HA2 :: 3.946 HA3 :: 3.946 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.240 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.22 K 0.16 C 0.1 R 0.07 F 0.07 Y 0.06 N 0.05 HN Overlap>> 1.F82 1.F82 C Shift Assignments>> C :: 176.613 CA :: 54.548 CB :: 41.714 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 :: 8.149 HA :: 4.643 HB2 :: 2.672 HB3 :: 2.672 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 :: 120.713 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.T51 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 :: 174.896 CA :: 62.009 CB :: 69.620 CG2 :: 21.666 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 :: 8.096 HA :: 4.387 HB :: 4.335 HG21 :: 1.163 HG22 :: 1.163 HG23 :: 1.163 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 :: 113.264 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.V136 1.V136 C Shift Assignments>> C :: 174.225 CA :: 58.888 CB :: 63.875 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.224 HA :: 4.362 HB2 :: 3.823 HB3 :: 3.823 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.667 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.R53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 C 0.34 K 0.27 G 0.02 HN Overlap>> 1.N137 1.N137 C Shift Assignments>> C :: 175.717 CA :: 55.070 CB :: 32.162 CG :: 27.130 CD :: 42.535 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 :: 8.171 HA :: 4.684 HB2 :: 1.565 HB3 :: 1.565 HD2 :: 3.007 HD3 :: 3.007 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 :: 121.395 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.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.718 CA :: 57.234 CB :: 65.069 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.581 HA :: 4.530 HB2 :: 3.678 HB3 :: 3.510 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 :: 116.002 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.H55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.15 Q 0.14 W 0.12 H 0.12 E 0.12 C 0.11 R 0.1 I 0.04 L 0.03 M 0.02 C Shift Assignments>> C :: 173.628 CA :: 57.345 CB :: 28.730 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> HA :: 4.00 HB2 :: 2.169 HB3 :: 2.169 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.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 G 0.33 C 0.25 R 0.03 C Shift Assignments>> C :: 176.001 CA :: 56.338 CB :: 44.855 CG :: 27.309 CD1 :: 24.801 CD2 :: 24.801 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 :: 8.640 HA :: 4.662 HB2 :: 1.543 HB3 :: 1.25 HD11 :: 0.824 HD12 :: 0.824 HD13 :: 0.824 HD21 :: 0.894 HD22 :: 0.894 HD23 :: 0.894 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 :: 123.071 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 A 0.17 C 0.16 M 0.1 K 0.06 C Shift Assignments>> C :: 175.822 CA :: 51.861 CB :: 22.961 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.781 HA :: 5.512 HB1 :: 1.423 HB2 :: 1.423 HB3 :: 1.423 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.806 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.71 S 0.28 C Shift Assignments>> C :: 172.927 CA :: 57.855 CB :: 67.555 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.093 HA :: 5.757 HB2 :: 4.047 HB3 :: 3.868 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.788 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 174.598 CA :: 60.073 CB :: 40.967 CG1 :: 28.799 CG2 :: 18.415 CD1 :: 13.860 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.781 HA :: 5.258 HB :: 1.889 HG12 :: 1.084 HG13 :: 1.084 HG21 :: 0.945 HG22 :: 0.945 HG23 :: 0.945 HD11 :: 0.950 HD12 :: 0.950 HD13 :: 0.950 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 :: 123.353 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.M60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.3 E 0.15 Q 0.01 C Shift Assignments>> C :: 176.016 CA :: 53.460 CB :: 36.176 CG :: 32.704 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 :: 9.356 HA :: 5.668 HB2 :: 2.046 HB3 :: 2.046 HG2 :: 2.269 HG3 :: 2.269 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 :: 125.889 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.C61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 C 0.17 L 0.14 R 0.03 C Shift Assignments>> C :: 172.225 CA :: 55.891 CB :: 45.876 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.089 HA :: 5.717 HB2 :: 3.499 HB3 :: 2.393 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 :: 121.442 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.Y62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 Y 0.35 C Shift Assignments>> C :: 177.523 CA :: 56.313 CB :: 40.445 CD1 :: 134.92 CD2 :: 134.92 CE1 :: 117.5 CE2 :: 117.5 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 :: 8.904 HA :: 4.964 HB2 :: 2.635 HB3 :: 2.635 HD1 :: 7.32 HD2 :: 7.32 HE1 :: 6.68 HE2 :: 6.68 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 :: 121.680 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T28 1.T28 C Shift Assignments>> C :: 176.120 CA :: 58.055 CB :: 63.726 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.503 HA :: 4.411 HB2 :: 3.938 HB3 :: 3.946 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.820 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 K 0.16 M 0.14 R 0.1 W 0.1 H 0.08 E 0.08 Q 0.07 V 0.04 C Shift Assignments>> C :: 176.001 CA :: 57.532 CB :: 32.386 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 :: 8.914 HA :: 4.390 HB2 :: 2.046 HB3 :: 1.678 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 :: 122.428 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.18 D 0.15 K 0.13 C 0.1 F 0.05 Y 0.04 N 0.01 G 0.01 C Shift Assignments>> C :: 174.762 CA :: 54.800 CB :: 42.660 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 :: 8.602 HA :: 4.961 HB2 :: 3.060 HB3 :: 3.060 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 :: 118.860 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 175.389 CA :: 60.238 CB :: 39.848 CG1 :: 27.488 CG2 :: 17.786 CD1 :: 13.605 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 :: 7.094 HA :: 4.293 HB :: 1.643 HG12 :: 0.849 HG13 :: 0.849 HG21 :: 0.601 HG22 :: 0.601 HG23 :: 0.601 HD11 :: 0.745 HD12 :: 0.745 HD13 :: 0.745 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 :: 119.288 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>> L 0.2 D 0.19 K 0.17 C 0.11 F 0.11 Y 0.09 R 0.05 N 0.04 C Shift Assignments>> C :: 177.135 CA :: 55.442 CB :: 41.340 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 :: 8.600 HA :: 4.461 HB2 :: 2.608 HB3 :: 2.608 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 127.996 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.G68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 174.673 CA :: 45.668 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.645 HA2 :: 4.170 HA3 :: 3.678 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.803 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 174.106 CA :: 60.568 CB :: 33.506 CG1 :: 21.577 CG2 :: 21.4 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 :: 7.245 HA :: 4.438 HB :: 2.191 HG11 :: 0.915 HG12 :: 0.915 HG13 :: 0.915 HG21 :: 1.04 HG22 :: 1.04 HG23 :: 1.04 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 :: 122.149 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.P70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 178.941 CA :: 63.203 CB :: 32.231 CG :: 27.20 CD :: 51.3 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.438 HB2 :: 2.354 HB3 :: 1.833 HG2 :: 2.04 HG3 :: 2.063 HD2 :: 3.992 HD3 :: 4.08 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.568 CA :: 61.200 CB :: 62.756 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.896 HA :: 4.148 HB2 :: 3.980 HB3 :: 3.980 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 :: 120.026 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 C 0.16 N 0.16 Y 0.16 F 0.15 L 0.08 I 0.01 K 0.01 E 0.01 C Shift Assignments>> C :: 175.852 CA :: 55.219 CB :: 39.550 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 :: 8.686 HA :: 4.444 HB2 :: 2.661 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 :: 117.611 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.K73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.43 C 0.42 R 0.12 C Shift Assignments>> C :: 174.926 CA :: 56.264 CB :: 34.476 CG :: 24.8 CD :: 28.473 CE :: 41.92 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 :: 7.420 HA :: 4.313 HB2 :: 0.907(S) HB3 :: 0.907(S) HG2 :: 0.79 HG3 :: 0.79 HD2 :: 0.66(S) HD3 :: 0.66(S) HE2 :: 2.37 HE3 :: 2.37 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 :: 116.540 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.45 M 0.44 C 0.04 L 0.01 V 0.01 I 0.01 C Shift Assignments>> C :: 178.418 CA :: 54.804 CB :: 19.427 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.121 HA :: 3.646 HB1 :: 1.420 HB2 :: 1.420 HB3 :: 1.420 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.554 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> C :: 173.300 CA :: 46.662 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.772 HA2 :: 4.371 HA3 :: 4.181 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.924 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.K76 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> C 0.67 R 0.3 C Shift Assignments>> C :: 174.986 CA :: 55.392 CB :: 37.386 CG :: 28.9 CD :: 25.3 CE :: 41.7 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 :: 8.236 HA :: 4.751 HB2 :: 1.956 HB3 :: 1.420 HG2 :: 1.70 HG3 :: 1.66 HD2 :: 1.49 HD3 :: 1.61 HE2 :: 2.966 HE3 :: 3.03 HZ1 :: 3.03(U) HZ2 :: 3.03(U) HZ3 :: 3.03(U) 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 :: 120.134 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.C77 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 172.580 CA :: 55.542 CB :: 50.817 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.333 HA :: 6.238(A) HB2 :: 2.962 HB3 :: 2.582 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 :: 115.633 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.F78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 C 0.26 Y 0.21 G 0.2 C Shift Assignments>> C :: 173.941 CA :: 56.910 CB :: 43.801 CD1 :: 131.72 CD2 :: 131.72 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 :: 9.423 HA :: 5.14 HB2 :: 2.83 HB3 :: 2.83 HD1 :: 7.150 HD2 :: 7.15 HE1 :: 7.11 HE2 :: 7.11 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 :: 117.314 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.L79 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 C 0.34 A 0.14 R 0.02 L 0.01 C Shift Assignments>> C :: 175.389 CA :: 53.876 CB :: 46.140 CG :: 27.98 CD1 :: 22.293 CD2 :: 28.76(A) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.506 HA :: 5.346 HB2 :: 1.86 HB3 :: 1.25 HG :: 1.46 HD11 :: 1.08 HD12 :: 1.08 HD13 :: 1.08 HD21 :: 1.08 HD22 :: 1.08 HD23 :: 1.08 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.001 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.29 R 0.25 M 0.02 C Shift Assignments>> C :: 174.598 CA :: 54.972 CB :: 35.774 CG :: 25.502 CD :: 29.96 CE :: 41.7 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 :: 9.579 HA :: 5.120 HB2 :: 1.618 HB3 :: 1.618 HG2 :: 1.273 HG3 :: 1.273 HD2 :: 1.460 HD3 :: 1.460 HE3 :: 2.709 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 :: 128.403 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.24 K 0.12 C 0.1 R 0.08 N 0.07 F 0.05 Y 0.03 C Shift Assignments>> C :: 173.643 CA :: 53.279 CB :: 42.00 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 :: 8.508 HA :: 5.127 HB2 :: 2.975 HB3 :: 2.975 HD21 :: 7.500 HD22 :: 7.500 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 :: 121.296 ND2 :: 109.242 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.F82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.47 C 0.31 Y 0.21 HN Overlap>> 1.D50 1.D50 C Shift Assignments>> C :: 175.732 CA :: 57.383 CB :: 40.669 CD1 :: 131.72 CD2 :: 131.72 CE1 :: 131.72 CE2 :: 131.72 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 :: 8.156 HA :: 4.927 HB2 :: 2.995 HB3 :: 2.874 HD1 :: 7.02 HD2 :: 7.02 HE1 :: 7.02 HE2 :: 7.02 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 :: 120.713 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.941 CA :: 58.428 CB :: 63.94 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.831 HA :: 4.627 HB2 :: 3.92 HB3 :: 4.08 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 :: 116.911 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.G84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 174.732 CA :: 45.594 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.351 HA2 :: 4.161 HA3 :: 3.968 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.308 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 K 0.08 I 0.08 M 0.07 Q 0.05 C Shift Assignments>> C :: 176.822 CA :: 57.780 CB :: 29.999 CG :: 36.176 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 :: 8.533 HA :: 4.200 HB2 :: 2.060 HB3 :: 1.957 HG2 :: 2.237 HG3 :: 2.242 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 :: 120.362 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.D86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.18 N 0.12 C 0.11 K 0.1 F 0.07 Y 0.06 R 0.02 C Shift Assignments>> C :: 176.210 CA :: 53.876 CB :: 41.042 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 :: 8.232 HA :: 4.697 HB2 :: 2.758 HB3 :: 2.758 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 :: 118.213 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.180 CA :: 59.270 CB :: 62.572 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.013 HA :: 4.19 HB2 :: 3.97 HB3 :: 3.970 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 :: 113.535 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T170 1.T170 C Shift Assignments>> C :: 174.494 CA :: 59.123 CB :: 64.173 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.092 HA :: 4.42 HB2 :: 3.969 HB3 :: 3.841 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.923 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.32 K 0.12 Q 0.07 M 0.07 I 0.04 C Shift Assignments>> C :: 175.643 CA :: 56.592 CB :: 29.729 CG :: 35.997 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 :: 8.324 HA :: 4.294 HB2 :: 1.880 HB3 :: 1.889 HG2 :: 2.132 HG3 :: 2.132 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 :: 123.265 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.I90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 HN Overlap>> 1.D175 1.L5 1.D175 1.L5 C Shift Assignments>> C :: 175.419 CA :: 60.840 CB :: 39.973 CG1 :: 27.399 CG2 :: 17.746 CD1 :: 13.695 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 :: 8.179 HA :: 4.304 HB :: 1.616 HG12 :: 1.323 HG13 :: 1.323 HG21 :: 0.585 HG22 :: 0.585 HG23 :: 0.585 HD11 :: 0.742 HD12 :: 0.742 HD13 :: 0.742 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 :: 123.140 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.19 D 0.15 C 0.11 G 0.06 K 0.06 F 0.03 Y 0.02 N 0.02 C Shift Assignments>> C :: 174.329 CA :: 53.603 CB :: 43.182 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 :: 8.118 HA :: 4.773 HB2 :: 2.657 HB3 :: 2.537 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 :: 124.945 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 M 0.2 E 0.19 C Shift Assignments>> C :: 174.852 CA :: 55.219 CB :: 32.983 CG :: 36.982 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 :: 8.310 HA :: 5.203 HB2 :: 1.883 HB3 :: 1.770 HG2 :: 1.988 HG3 :: 1.988 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 :: 122.401 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.K93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.36 R 0.08 M 0.03 A 0.01 G 0.01 C Shift Assignments>> C :: 174.762 CA :: 54.795 CB :: 35.669 CG :: 23.758 CD :: 29.16 CE :: 41.99 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 :: 8.804 HA :: 4.883 HB2 :: 1.912 HB3 :: 1.800 HG2 :: 1.501 HG3 :: 1.41 HD2 :: 1.7 HD3 :: 1.7 HE2 :: 2.995 HE3 :: 2.995 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 :: 123.294 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 K 0.1 I 0.07 M 0.05 Q 0.04 C Shift Assignments>> C :: 176.150 CA :: 57.258 CB :: 29.727 CG :: 36.28 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 :: 8.960 HA :: 4.074 HB2 :: 1.781 HB3 :: 1.805 HG2 :: 1.923 HG3 :: 1.923 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 :: 126.272 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 V 0.4 C Shift Assignments>> C :: 174.673 CA :: 59.249 CB :: 35.147 CG1 :: 21.5 CG2 :: 21.5 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 :: 8.140 HA :: 4.627 HB :: 1.933 HG11 :: 0.65 HG12 :: 0.65 HG13 :: 0.65 HG21 :: 0.65 HG22 :: 0.65 HG23 :: 0.65 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.312 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.897 CA :: 57.581 CB :: 62.397 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.469 HA :: 4.461 HB2 :: 3.756 HB3 :: 3.673 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 :: 119.167 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.3 C 0.12 R 0.01 C Shift Assignments>> C :: 175.896 CA :: 51.787 CB :: 44.8 CG :: 27.3 CD1 :: 25.1 CD2 :: 25.1 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 :: 8.210 HA :: 4.7 HB2 :: 1.81 HB3 :: 1.14 HG :: 1.48 HD11 :: 0.852 HD12 :: 0.852 HD13 :: 0.852 HD21 :: 0.852 HD22 :: 0.852 HD23 :: 0.852 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.505 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.P98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 175.255 CA :: 63.383 CB :: 32.139 CG :: 27.219 CD :: 50.3 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.435 HB2 :: 1.86 HB3 :: 2.37 HG2 :: 2.078 HG3 :: 2.034 HD2 :: 3.76 HD3 :: 3.76 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.I99 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> C :: 174.270 CA :: 62.419 CB :: 39.4 CG1 :: 28.781 CG2 :: 17.122 CD1 :: 15.26 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 :: 5.743(S) HA :: 3.85 HB :: 1.658 HG12 :: 1.048 HG13 :: 1.048 HG21 :: 1.0 HG22 :: 1.0 HG23 :: 1.0 HD11 :: 0.562 HD12 :: 0.562 HD13 :: 0.562 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 :: 118.729 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.K100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.37 Q 0.12 M 0.04 I 0.04 C Shift Assignments>> C :: 175.270 CA :: 55.791 CB :: 35.853 CG :: 29 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 :: 9.142 HA :: 4.776 HB2 :: 1.879 HB3 :: 1.82 HG2 :: 1.66 HG3 :: 1.71 HD2 :: 1.60 HD3 :: 1.50 HE2 :: 2.97 HE3 :: 3.01 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.316 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.479 CA :: 56.040 CB :: 64.845 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.002 HA :: 4.932 HB2 :: 3.418 HB3 :: 3.63 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 :: 112.093 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.H102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> L 0.22 R 0.21 C 0.12 Q 0.11 K 0.08 H 0.08 W 0.06 E 0.04 I 0.03 C Shift Assignments>> C :: 173.971 CA :: 56.413 CB :: 26.790 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) FLAG polypeptide(L) 1.N103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.23 C 0.14 Y 0.07 F 0.06 L 0.05 C Shift Assignments>> C :: 174.598 CA :: 52.983 CB :: 39.251 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 :: 7.568 HA :: 4.569 HB2 :: 2.257 HB3 :: 2.71 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 :: 115.814 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.D104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.21 K 0.16 C 0.1 F 0.08 Y 0.06 R 0.06 N 0.05 C Shift Assignments>> C :: 175.180 CA :: 54.846 CB :: 41.564 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 :: 7.410 HA :: 4.81 HB2 :: 2.78 HB3 :: 3.05 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 :: 121.759 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.A105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.13 C 0.03 L 0.02 HN Overlap>> 1.L169 1.L169 1.D132 1.D132 C Shift Assignments>> C :: 176.090 CA :: 51.450 CB :: 20.200 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.769 HA :: 4.55 HB1 :: 1.479 HB2 :: 1.479 HB3 :: 1.479 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.909 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.F106 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 G 0.25 F 0.1 C Shift Assignments>> C :: 175.016 CA :: 56.089 CB :: 43.280 CD1 :: 132.8 CD2 :: 132.8 CE1 :: 133.8(A) CZ :: 129.5 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 :: 8.315 HA :: 6.2 HB2 :: 3.114 HB3 :: 3.04 HD1 :: 7.36 HD2 :: 7.36 HE1 :: 7.308 HE2 :: 7.308 HZ :: 6.614 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 :: 114.099 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.M107 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.77 M 0.09 I 0.09 A 0.03 C Shift Assignments>> C :: 173.732 CA :: 55.294 CB :: 38.8 CG :: 31.4 CE :: 14.5 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 :: 8.874 HA :: 5.380 HB2 :: 1.815 HB3 :: 1.441 HG2 :: 2.22 HG3 :: 1.96 HE1 :: 0.148(S) HE2 :: 0.148(S) HE3 :: 0.148(S) 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 :: 115.099 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.F108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 F 0.31 G 0.02 C Shift Assignments>> C :: 175.046 CA :: 57.398 CB :: 41.963 CD1 :: 132.8 CD2 :: 132.8 CE1 :: 130.5 CE2 :: 130.5 CZ :: 132.8 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 :: 9.609 HA :: 5.002 HB2 :: 2.8 HB3 :: 2.26 HD1 :: 6.68 HD2 :: 6.68 HE1 :: 7.28 HE2 :: 7.28 HZ :: 7.22 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.006 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.V109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 176.807 CA :: 61.8 CB :: 33.580 CG1 :: 20.9 CG2 :: 22.08 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.406 HA :: 5.012 HB :: 2.336 HG11 :: 0.79 HG12 :: 0.79 HG13 :: 0.79 HG21 :: 0.919 HG22 :: 0.919 HG23 :: 0.919 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 :: 123.891 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.C110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 G 0.25 L 0.04 HN Overlap>> 1.V27 1.V27 C Shift Assignments>> C :: 172.076 CA :: 55.791 CB :: 48.280 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.345 HA :: 5.914 HB2 :: 2.916 HB3 :: 2.6 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 :: 126.465 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.88 T 0.11 C Shift Assignments>> C :: 171.986 CA :: 57.607 CB :: 66.263 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.180 HA :: 4.638 HB2 :: 3.82 HB3 :: 3.82 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.252 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 175.613 CA :: 56.115 CB :: 65.316 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.305 HA :: 5.248 HB2 :: 3.512 HB3 :: 3.449 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.194 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.N113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 C 0.18 D 0.16 Y 0.11 F 0.09 L 0.03 E 0.02 C Shift Assignments>> C :: 176.523 CA :: 54.005 CB :: 38.580 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 :: 8.913 HA :: 4.756 HB2 :: 3.004 HB3 :: 2.806 HD21 :: 6.830 HD22 :: 6.830 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 :: 124.943 ND2 :: 111.297 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.D114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.2 K 0.13 C 0.1 N 0.08 F 0.08 Y 0.06 R 0.04 C Shift Assignments>> C :: 177.195 CA :: 54.298 CB :: 41.340 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 :: 8.249 HA :: 4.61 HB2 :: 2.91 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 :: 116.477 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.G115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 173.568 CA :: 45.892 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.034 HA2 :: 4.107 HA3 :: 3.802 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.844 Ave N Shift Values>> N :: 109.91(4.29) 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 :: 173.106 CA :: 59.547 CB :: 63.950 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.378 HA :: 4.481 HB2 :: 3.889 HB3 :: 3.889 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.224 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.16 L 0.09 C 0.06 C Shift Assignments>> C :: 177.225 CA :: 51.960 CB :: 21.094 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.867 HA :: 4.747 HB1 :: 1.490 HB2 :: 1.490 HB3 :: 1.490 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.138 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.L118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.3 C 0.21 R 0.02 C Shift Assignments>> C :: 175.255 CA :: 54.821 CB :: 45.270 CG :: 27.509 CD1 :: 25.2 CD2 :: 25.2 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 :: 8.433 HA :: 4.84 HB2 :: 1.608 HB3 :: 1.46 HG :: 1.57 HD11 :: 0.893 HD12 :: 0.893 HD13 :: 0.893 HD21 :: 0.893 HD22 :: 0.893 HD23 :: 0.893 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 :: 121.989 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.Q119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.36 Q 0.12 E 0.04 K 0.01 C Shift Assignments>> C :: 174.688 CA :: 54.473 CB :: 32.661 CG :: 33.400 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 :: 8.861 HA :: 5.258 HB2 :: 2.018 HB3 :: 2.018 HG2 :: 2.326 HG3 :: 2.255 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 :: 122.289 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.C120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 G 0.04 C Shift Assignments>> C :: 172.718 CA :: 55.692 CB :: 49.548 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.971 HA :: 5.681 HB2 :: 2.759 HB3 :: 2.562 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 :: 115.343 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.D121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.23 K 0.13 R 0.1 C 0.1 F 0.05 N 0.05 Y 0.04 C Shift Assignments>> C :: 174.523 CA :: 53.876 CB :: 42.161 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 :: 9.375 HA :: 4.963 HB2 :: 2.565 HB3 :: 1.996 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 :: 125.683 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 173.016 CA :: 61.6 CB :: 32.8 CG1 :: 20.97 CG2 :: 21.58 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 :: 8.816 HA :: 4.64 HB :: 1.795 HG11 :: 0.371 HG12 :: 0.371 HG13 :: 0.371 HG21 :: 0.655 HG22 :: 0.655 HG23 :: 0.655 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 :: 124.277 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.F123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 G 0.26 F 0.18 Y 0.04 C Shift Assignments>> C :: 176.583 CA :: 55.019 CB :: 43.341 CD1 :: 132.7 CD2 :: 132.7 CE1 :: 132.7 CE2 :: 132.7 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 :: 9.304 HA :: 5.943 HB2 :: 3.162 HB3 :: 2.617 HD1 :: 6.866 HD2 :: 6.866 HE1 :: 7.013 HE2 :: 7.013 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 :: 124.876 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.A124 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.5 C 0.18 K 0.14 M 0.05 A 0.04 R 0.03 P 0.01 C Shift Assignments>> C :: 175.553 CA :: 51.9 CB :: 23.971 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.154 HA :: 5.789(S) HB1 :: 1.332 HB2 :: 1.332 HB3 :: 1.332 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.636 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.L125 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.44 C 0.36 A 0.19 C Shift Assignments>> C :: 174.553 CA :: 53.627 CB :: 43.728 CG :: 43.7(A) CD1 :: 24.980 CD2 :: 22.752 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 :: 8.102 HA :: 4.058 HB2 :: 0.7 HB3 :: 0.7 HG :: -0.762(S) HD11 :: 0.2 HD12 :: 0.2 HD13 :: 0.2 HD21 :: -0.03 HD22 :: -0.03 HD23 :: -0.03 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.444 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.D126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.19 N 0.12 C 0.1 K 0.1 F 0.06 Y 0.05 R 0.03 HN Overlap>> 1.A155 1.A155 C Shift Assignments>> C :: 176.807 CA :: 53.354 CB :: 41.340 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 :: 8.130 HA :: 4.638 HB2 :: 2.759 HB3 :: 2.641 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 :: 125.911 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.N127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.19 N 0.19 C 0.17 Y 0.16 F 0.14 L 0.07 I 0.01 E 0.01 C Shift Assignments>> C :: 176.434 CA :: 55.145 CB :: 39.251 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 :: 8.594 HA :: 4.500 HB2 :: 2.769 HB3 :: 2.769 HD21 :: 6.612 HD22 :: 6.612 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 :: 123.715 ND2 :: 112.605 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.T128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 174.673 CA :: 63.303 CB :: 69.397 CG2 :: 21.846 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 :: 8.496 HA :: 4.232 HB :: 4.235 HG21 :: 1.155 HG22 :: 1.155 HG23 :: 1.155 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 :: 112.323 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.N129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.2 C 0.15 Y 0.07 F 0.06 L 0.04 HN Overlap>> 1.D132 1.D132 C Shift Assignments>> C :: 175.449 CA :: 52.906 CB :: 38.953 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 :: 7.885 HA :: 4.815 HB2 :: 2.794 HB3 :: 2.582 HD21 :: 7.532 HD22 :: 7.532 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 :: 120.909 ND2 :: 112.067 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.S130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.120 CA :: 59.864 CB :: 63.353 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.243 HA :: 4.195 HB2 :: 3.870 HB3 :: 3.811 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 :: 117.077 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.S131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.822 CA :: 60.95 CB :: 63.353 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.303 HA :: 4.304 HB2 :: 3.930 HB3 :: 3.88 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 :: 117.570 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.D132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 D 0.19 K 0.18 C 0.1 F 0.08 R 0.08 Y 0.06 N 0.03 HN Overlap>> 1.L169 1.N129 1.A105 1.L169 1.N129 1.A105 C Shift Assignments>> C :: 176.762 CA :: 55.070 CB :: 41.739 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 :: 7.871 HA :: 4.599 HB2 :: 2.680 HB3 :: 2.680 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 :: 120.909 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.G133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.14 C 0.09 R 0.08 F 0.01 C Shift Assignments>> C :: 173.225 CA :: 44.922 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.712 HA2 :: 4.097 HA3 :: 3.753 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.126 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.W134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 W 0.02 H 0.02 C Shift Assignments>> C :: 177.254 CA :: 58.353 CB :: 30.2 CD1 :: 120.7 CZ2 :: 115.2 CZ3 :: 124.9 CH2 :: 124.9 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 :: 8.191 HA :: 4.481 HB2 :: 3.098 HB3 :: 3.162 HD1 :: 7.416 HE1 :: 10.1 HE3 :: 6.590 HZ2 :: 7.04 HZ3 :: 6.86 HH2 :: 6.970 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 :: 119.836 NE1 :: 129.1 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) FLAG polypeptide(L) 1.K135 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 R 0.15 M 0.03 G 0.01 A 0.01 C Shift Assignments>> C :: 175.016 CA :: 55.019 CB :: 35.371 CG :: 28.9 CD :: 24(S) CE :: 41.990 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 :: 8.932 HA :: 4.786 HB2 :: 1.92 HB3 :: 1.77 HG2 :: 1.77 HG3 :: 1.65 HD2 :: 1.46 HD3 :: 1.46 HE2 :: 3 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 :: 124.161 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.V136 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.84 V 0.12 I 0.01 A 0.01 HN Overlap>> 1.S52 1.S52 C Shift Assignments>> C :: 174.240 CA :: 59.222 CB :: 35.680 CG1 :: 20.713 CG2 :: 18.084 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 :: 8.230 HA :: 5.356 HB :: 1.391 HG11 :: -0.222(S) HG12 :: -0.222(S) HG13 :: -0.222(S) HG21 :: 0.477 HG22 :: 0.477 HG23 :: 0.477 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 :: 118.667 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.N137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.25 R 0.13 C 0.12 D 0.06 F 0.01 Y 0.01 HN Overlap>> 1.R53 1.R53 C Shift Assignments>> C :: 172.986 CA :: 53.205 CB :: 44.325 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 :: 8.204 HA :: 4.855 HB2 :: 2.694 HB3 :: 2.444 HD21 :: 7.513 HD22 :: 7.513 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 :: 121.395 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.T138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 HN Overlap>> 1.S144 1.S144 C Shift Assignments>> C :: 173.792 CA :: 62.308 CB :: 70.814 CG2 :: 21.577 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 :: 8.361 HA :: 5.179 HB :: 3.654 HG21 :: 1.106 HG22 :: 1.106 HG23 :: 1.106 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 :: 118.581 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.V139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 V 0.3 I 0.01 C Shift Assignments>> C :: 172.494 CA :: 59.229 CB :: 35.819 CG1 :: 21.756 CG2 :: 20.412 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.333 HA :: 4.579 HB :: 1.952 HG11 :: 0.909 HG12 :: 0.909 HG13 :: 0.909 HG21 :: 0.909 HG22 :: 0.909 HG23 :: 0.909 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 :: 124.995 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.D140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.23 K 0.13 C 0.1 R 0.07 N 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 176.628 CA :: 53.802 CB :: 41.863 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 :: 8.507 HA :: 4.79 HB2 :: 2.81 HB3 :: 2.523 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 :: 128.523 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.L141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.32 R 0.2 G 0.03 K 0.01 C Shift Assignments>> C :: 176.553 CA :: 57 CB :: 42.609 CG :: 26.4 CD1 :: 27.2 CD2 :: 23.8 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 :: 8.155 HA :: 4.235 HB2 :: 1.72 HB3 :: 1.628 HG :: 1.008 HD11 :: 0.93 HD12 :: 0.93 HD13 :: 0.93 HD21 :: 1.006 HD22 :: 1.006 HD23 :: 1.006 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 :: 123.606 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.G142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 174.180 CA :: 46.414 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.939 HA2 :: 3.999 HA3 :: 3.699 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.037 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.V143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 V 0.3 I 0.01 C Shift Assignments>> C :: 174.255 CA :: 59.153 CB :: 35.744 CG1 :: 21.858 CG2 :: 20.401 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 :: 7.226 HA :: 4.579 HB :: 2.041 HG11 :: 0.919 HG12 :: 0.919 HG13 :: 0.919 HG21 :: 0.732 HG22 :: 0.732 HG23 :: 0.732 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 :: 112.058 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.S144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T138 1.T138 C Shift Assignments>> C :: 174.300 CA :: 57.158 CB :: 64.545 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.361 HA :: 5.111 HB2 :: 3.901 HB3 :: 3.753 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.581 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.V145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 174.762 CA :: 64.796 CB :: 32.386 CG1 :: 22.1 CG2 :: 22.1 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 :: 8.487 HA :: 3.644 HB :: 2.027 HG11 :: 0.866 HG12 :: 0.866 HG13 :: 0.866 HG21 :: 0.909 HG22 :: 0.909 HG23 :: 0.909 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 :: 120.026 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.S146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 170.912 CA :: 56.861 CB :: 63.743 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.862 HA :: 4.864 HB2 :: 3.841 HB3 :: 3.761 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 :: 119.542 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.P147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 175.628 CA :: 64.126 CB :: 32.064 CG :: 28 CD :: 51 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.205 HB2 :: 2.129 HB3 :: 1.805 HG2 :: 1.803 HG3 :: 1.803 HD2 :: 3.76 HD3 :: 3.66 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.D148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 C 0.18 D 0.17 Y 0.15 F 0.12 L 0.05 E 0.02 I 0.01 C Shift Assignments>> C :: 175.747 CA :: 54.756 CB :: 38.878 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 :: 8.460 HA :: 4.973 HB2 :: 2.85 HB3 :: 2.773 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 :: 116.313 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.L149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 C 0.32 G 0.21 K 0.05 A 0.02 R 0.01 C Shift Assignments>> C :: 175.120 CA :: 55.290 CB :: 43.952 CD1 :: 27.219 CD2 :: 23.316 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 :: 7.561 HA :: 4.481 HB2 :: 1.698 HB3 :: 0.9 HG :: 0.84 HD11 :: 0.952 HD12 :: 0.952 HD13 :: 0.952 HD21 :: 0.633 HD22 :: 0.633 HD23 :: 0.633 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 :: 117.994 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.A150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 C 0.09 M 0.07 L 0.06 G 0.01 C Shift Assignments>> C :: 175.180 CA :: 49.700 CB :: 21.398 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.941 HA :: 5.615 HB1 :: 0.624 HB2 :: 0.624 HB3 :: 0.624 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.843 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.F151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 F 0.23 G 0.1 Y 0.05 HN Overlap>> 1.R43 1.R43 C Shift Assignments>> C :: 175.061 CA :: 55.592 CB :: 42.758 CD1 :: 132.8 CD2 :: 132.8 CE1 :: 132.8 CE2 :: 132.8 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 :: 8.538 HA :: 5.032 HB2 :: 2.690 HB3 :: 2.63 HD1 :: 7.24 HD2 :: 7.24 HE1 :: 7.115 HE2 :: 7.115 HZ :: 7.244 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 :: 117.045 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.G152 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.31 L 0.24 R 0.24 C 0.1 F 0.02 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 182.075(S) CA :: 44.176 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.546 HA2 :: 3.893 HA3 :: 3.147 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.829 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.L153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 G 0.34 L 0.17 C Shift Assignments>> C :: 175.926 CA :: 53.300 CB :: 47.161 CG :: 26.960 CD1 :: 25.90 CD2 :: 25.90 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 :: 7.933 HA :: 5.366 HB2 :: 1.569 HB3 :: 1.440 HG :: 1.51 HD11 :: 0.906 HD12 :: 0.906 HD13 :: 0.906 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 :: 116.664 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.T154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 172.628 CA :: 61.862 CB :: 70.995 CG2 :: 21.676 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.610 HA :: 4.65 HB :: 4.107 HG21 :: 1.205 HG22 :: 1.205 HG23 :: 1.205 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 :: 122.745 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.A155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.17 L 0.09 C 0.06 HN Overlap>> 1.D126 1.D126 C Shift Assignments>> C :: 175.687 CA :: 52.184 CB :: 21.044 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.104 HA :: 4.402 HB1 :: 1.146 HB2 :: 1.146 HB3 :: 1.146 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.911 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.D156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.16 F 0.13 C 0.12 Y 0.11 K 0.11 N 0.07 R 0.02 I 0.01 C Shift Assignments>> C :: 177.269 CA :: 55.443 CB :: 40.759 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 :: 9.069 HA :: 4.667 HB2 :: 2.902 HB3 :: 2.683 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.464 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.G157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 C 0.21 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 174.896 CA :: 47.235 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.723 HA2 :: 4.094 HA3 :: 3.929 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.184 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.V158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 C Shift Assignments>> C :: 175.747 CA :: 63.032 CB :: 31.819 CG1 :: 22.831 CG2 :: 21.5 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 :: 8.117 HA :: 4.618 HB :: 2.327 HG11 :: 1.21 HG12 :: 1.21 HG13 :: 1.21 HG21 :: 1.255 HG22 :: 1.255 HG23 :: 1.255 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.742 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.K159 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 M 0.02 C Shift Assignments>> C :: 174.852 CA :: 55.754 CB :: 34.326 CG :: 24.773 CD :: 29.055 CE :: 42.081 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 :: 8.494 HA :: 4.46 HB2 :: 1.84 HB3 :: 1.84 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 :: 129.878 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.V160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 HN Overlap>> 1.A30 1.A30 C Shift Assignments>> C :: 175.837 CA :: 61.935 CB :: 29.849 CG1 :: 23.607 CG2 :: 21.312 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 :: 8.988 HA :: 3.4 HB :: 2.26 HG11 :: 0.919 HG12 :: 0.919 HG13 :: 0.919 HG21 :: 0.849 HG22 :: 0.849 HG23 :: 0.849 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 :: 122.308 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.K161 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.K162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 K 0.18 C 0.18 Q 0.17 R 0.06 W 0.06 H 0.06 E 0.03 V 0.02 C Shift Assignments>> C :: 173.941 CA :: 56.264 CB :: 33.207 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 :: 8.353 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 :: 122.710 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.L163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 R 0.26 G 0.23 L 0.2 HN Overlap>> 1.K46 1.K46 C Shift Assignments>> C :: 175.344 CA :: 53.951 CB :: 44.027 CG :: 28.5 CD1 :: 26.4 CD2 :: 26.4 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 :: 8.474 HA :: 5.317 HB2 :: 1.933 HB3 :: 1.37 HG :: 1.77 HD11 :: 0.894 HD12 :: 0.894 HD13 :: 0.894 HD21 :: 0.894 HD22 :: 0.894 HD23 :: 0.894 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 :: 122.390 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.Y164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 C 0.23 Y 0.14 C Shift Assignments>> C :: 174.523 CA :: 56.057 CB :: 44.778 CD1 :: 131.7 CD2 :: 131.7 CE1 :: 116.4 CE2 :: 116.4 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 :: 9.426 HA :: 5.504 HB2 :: 2.781 HB3 :: 2.582 HD1 :: 7.34 HD2 :: 7.34 HE1 :: 6.70 HE2 :: 6.70 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.766 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.A165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 A 0.25 C 0.21 M 0.08 K 0.04 P 0.01 C Shift Assignments>> C :: 176.941 CA :: 50.597 CB :: 22.980 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.974 HA :: 5.209 HB1 :: 1.365 HB2 :: 1.365 HB3 :: 1.365 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.465 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.S166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.807 CA :: 60.200 CB :: 64.148 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.690 HA :: 4.737 HB2 :: 4.100 HB3 :: 3.944 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 :: 117.319 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.S167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.568 CA :: 60.990 CB :: 63.202 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.780 HA :: 4.147 HB2 :: 3.991 HB3 :: 3.878 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 :: 117.695 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.G168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 174.076 CA :: 45.592 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.375 HA2 :: 3.956 HA3 :: 3.956 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.116 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.L169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.24 G 0.08 R 0.06 HN Overlap>> 1.A105 1.D132 1.A105 1.D132 C Shift Assignments>> C :: 177.463 CA :: 54.45 CB :: 43.2 CG :: 27. CD1 :: 24.773 CD2 :: 24.773 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 :: 7.766 HA :: 4.469 HB2 :: 1.667 HB3 :: 1.667 HG :: 1.613 HD11 :: 0.838 HD12 :: 0.838 HD13 :: 0.838 HD21 :: 0.838 HD22 :: 0.838 HD23 :: 0.838 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 :: 120.884 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.T170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 HN Overlap>> 1.S88 1.S88 C Shift Assignments>> C :: 172.986 CA :: 61.562 CB :: 69.695 CG2 :: 21.403 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 :: 8.100 HA :: 4.30 HB :: 4.173 HG21 :: 1.155 HG22 :: 1.155 HG23 :: 1.155 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 :: 114.923 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.A171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.08 C 0.03 L 0.01 HN Overlap>> 1.E38 1.E38 C Shift Assignments>> C :: 177.433 CA :: 50.200 CB :: 20.229 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.313 HA :: 4.95 HB1 :: 1.178 HB2 :: 1.178 HB3 :: 1.178 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.031 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.I172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 176.105 CA :: 61.611 CB :: 37.833 CG1 :: 27.615 CG2 :: 19.00 CD1 :: 12.3 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 :: 8.203 HA :: 4.000 HB :: 1.846 HG12 :: 1.451 HG13 :: 1.451 HG21 :: 0.998 HG22 :: 0.998 HG23 :: 0.998 HD11 :: 0.704 HD12 :: 0.704 HD13 :: 0.704 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 :: 122.113 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.N173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.22 C 0.14 Y 0.07 F 0.06 L 0.04 HN Overlap>> 1.V36 1.V36 C Shift Assignments>> C :: 175.792 CA :: 52.981 CB :: 39.15 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 :: 8.228 HA :: 4.547 HB2 :: 2.680 HB3 :: 2.680 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 :: 121.65 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.D174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.17 N 0.15 C 0.11 K 0.08 F 0.07 Y 0.06 R 0.01 C Shift Assignments>> C :: 175.434 CA :: 53.503 CB :: 40.967 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 :: 8.023 HA :: 4.566 HB2 :: 2.697 HB3 :: 2.544 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 :: 117.736 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.D175 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.25 K 0.17 D 0.15 R 0.14 C 0.1 F 0.07 Y 0.05 N 0.02 HN Overlap>> 1.I90 1.I90 C Shift Assignments>> C :: 178.105 CA :: 55.255 CB :: 42.25 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 :: 8.115 HA :: 4.472 HB2 :: 1.678(S) HB3 :: 1.987 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.119 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.P176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 179.463 CA :: 64.623 CB :: 32.089 CG :: 27.233 CD :: 51.602 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.444 HB2 :: 2.383 HB3 :: 2.052 HG2 :: 2.062 HG3 :: 2.03 HD2 :: 4.095 HD3 :: 4.005 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.S177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.508 CA :: 60.965 CB :: 62.930 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.760 HA :: 4.322 HB2 :: 3.988 HB3 :: 3.878 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 :: 116.575 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.L178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.25 A 0.08 G 0.02 R 0.01 C Shift Assignments>> C :: 177.359 CA :: 54.427 CB :: 42.317 CG :: 26.58 CD1 :: 23.5 CD2 :: 22.5 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 :: 7.437 HA :: 4.477 HB2 :: 1.984 HB3 :: 1.668 HG :: 1.406 HD11 :: 0.65 HD12 :: 0.65 HD13 :: 0.65 HD21 :: 0.502 HD22 :: 0.502 HD23 :: 0.502 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 :: 121.089 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.G179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 174.389 CA :: 46.340 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.970 HA2 :: 3.932 HA3 :: 3.932 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.064 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.C180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.2 K 0.19 D 0.18 C 0.11 F 0.1 Y 0.08 R 0.06 N 0.03 C Shift Assignments>> C :: 175.016 CA :: 55.589 CB :: 41.510 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.524 HA :: 5.180 HB2 :: 2.893 HB3 :: 2.429 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.942 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.K181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.37 R 0.15 M 0.03 G 0.01 C Shift Assignments>> C :: 174.538 CA :: 56.003 CB :: 33.341 CG :: 24.533 CD :: 29.100 CE :: 42.267 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 :: 8.206 HA :: 4.342 HB2 :: 1.867 HB3 :: 1.753 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 :: 124.083 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.A182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.31 C 0.05 L 0.04 V 0.01 C Shift Assignments>> C :: 182.343 CA :: 53.788 CB :: 20.149 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.915 HA :: 4.14 HB1 :: 1.3 HB2 :: 1.3 HB3 :: 1.3 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.820 Ave N Shift Values>> N :: 123.23(3.7) ########################################################################### Overall Results: #Consistent: 167 #Clerical: 0 #Suspicious: 9 #Anomalous: 4 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 175 #Suspicious: 3 #Mistyped: 2 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 182 #Suspicious: 0 C Shift Results: #Consistent: 728 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 5 H Shift Results: #Consistent:1111 #Duplicate: 0 #Unknown: 3 #Suspicious: 19 #Anomalous: 1 N Shift Results: #Consistent: 180 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.W32 Typing: Suspicious 1.W32 CH2 = 129.5(A), Expected = 123.75, Std = 1.3400, ChiSquare = 1.7783e-05 1.L37 Typing: Mistyped 1.L37 CG = 42.2(A), Expected = 26.77, Std = 1.2500, ChiSquare = 5.2482e-35 1.L37 HB2 = 0.509(S), Expected = 1.63, Std = 0.3400, ChiSquare = 9.7703e-04 1.L37 HG = -1.0(S), Expected = 1.54, Std = 0.3300, ChiSquare = 1.3933e-14 1.L37 HD11 = -0.15(S), Expected = 0.77, Std = 0.2700, ChiSquare = 6.5583e-04 1.L37 HD12 = -0.15(S), Expected = 0.77, Std = 0.2700, ChiSquare = 6.5583e-04 1.L37 HD13 = -0.15(S), Expected = 0.77, Std = 0.2700, ChiSquare = 6.5583e-04 1.K73 HB2 = 0.907(S), Expected = 1.79, Std = 0.2500, ChiSquare = 4.1243e-04 1.K73 HB3 = 0.907(S), Expected = 1.78, Std = 0.2600, ChiSquare = 7.8596e-04 1.K73 HD2 = 0.66(S), Expected = 1.61, Std = 0.2500, ChiSquare = 1.4470e-04 1.K73 HD3 = 0.66(S), Expected = 1.61, Std = 0.2500, ChiSquare = 1.4470e-04 1.K76 Typing: Suspicious 1.K76 HZ1 = 3.03(U) 1.K76 HZ2 = 3.03(U) 1.K76 HZ3 = 3.03(U) 1.C77 HA = 6.238(A), Expected = 4.73, Std = 0.5700, ChiSquare = 8.1543e-03 1.L79 CD2 = 28.76(A), Expected = 24.10, Std = 1.7800, ChiSquare = 8.8453e-03 1.I99 H = 5.743(S), Expected = 8.26, Std = 0.7100, ChiSquare = 3.9251e-04 1.F106 CE1 = 133.8(A), Expected = 130.48, Std = 1.2900, ChiSquare = 1.0063e-02 1.M107 HE1 = 0.148(S), Expected = 1.86, Std = 0.4700, ChiSquare = 2.6995e-04 1.M107 HE2 = 0.148(S), Expected = 1.86, Std = 0.4700, ChiSquare = 2.6995e-04 1.M107 HE3 = 0.148(S), Expected = 1.86, Std = 0.4700, ChiSquare = 2.6995e-04 1.A124 HA = 5.789(S), Expected = 4.26, Std = 0.4200, ChiSquare = 2.7213e-04 1.L125 Typing: Mistyped 1.L125 CG = 43.7(A), Expected = 26.77, Std = 1.2500, ChiSquare = 8.5977e-42 1.L125 HG = -0.762(S), Expected = 1.54, Std = 0.3300, ChiSquare = 3.0423e-12 1.K135 Typing: Suspicious 1.K135 CD = 24(S), Expected = 28.78, Std = 1.3900, ChiSquare = 5.8419e-04 1.V136 HG11 = -0.222(S), Expected = 0.84, Std = 0.2700, ChiSquare = 8.3776e-05 1.V136 HG12 = -0.222(S), Expected = 0.84, Std = 0.2700, ChiSquare = 8.3776e-05 1.V136 HG13 = -0.222(S), Expected = 0.84, Std = 0.2700, ChiSquare = 8.3776e-05 1.G152 C = 182.075(S), Expected = 174.04, Std = 1.9400, ChiSquare = 3.4466e-05 1.D175 HB2 = 1.678(S), Expected = 2.74, Std = 0.2900, ChiSquare = 2.5019e-04