Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 FLAG polypeptide(L) 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.7 I 0.13 A 0.11 C 0.02 C Shift Assignments>> CA :: 56.55 CE :: 17.18 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 4.296 HB2 :: 2.075 HB3 :: 1.883 HG2 :: 2.235 HG3 :: 2.235 HE1 :: 2.064 HE2 :: 2.064 HE3 :: 2.064 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) FLAG polypeptide(L) 1.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> CA :: 62.384 CB :: 32.513 CG :: 26.739 CD :: 49.426 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 :: 4.393 HB2 :: 2.401 HB3 :: 2.011 HG2 :: 2.013 HG3 :: 1.952 HD2 :: 3.386 HD3 :: 3.386 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.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.75 M 0.2 C 0.02 L 0.01 C Shift Assignments>> C :: 177.296 CA :: 52.553 CB :: 19.445 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.377 HB1 :: 1.373 HB2 :: 1.373 HB3 :: 1.373 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) FLAG polypeptide(L) 1.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.580 CA :: 58.208 CB :: 64.178 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.319 HA :: 4.592 HB2 :: 3.665 HB3 :: 3.654 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 :: 116.143 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.R5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.38 G 0.11 K 0.1 C Shift Assignments>> C :: 174.070 CA :: 54.848 CB :: 32.347 CG :: 26.943 CD :: 43.576 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 :: 8.327 HA :: 4.466 HB2 :: 1.648 HB3 :: 1.620 HG2 :: 1.379 HG3 :: 1.379 HD2 :: 3.105 HD3 :: 3.020 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 :: 121.761 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.Y6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 174.701 CA :: 57.521 CB :: 39.766 CD1 :: 132.638 CD2 :: 132.638 CE1 :: 118.330 CE2 :: 118.330 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 :: 8.505 HA :: 4.787 HB2 :: 2.701 HB3 :: 2.701 HD1 :: 6.889 HD2 :: 6.889 HE1 :: 6.729 HE2 :: 6.729 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.186 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.I7 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.75 I 0.2 A 0.02 C Shift Assignments>> C :: 175.178 CA :: 58.396 CB :: 36.031 CG1 :: 27.307 CG2 :: 18.146 CD1 :: 9.828 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 :: 8.936 HA :: 4.013 HB :: 0.301(S) HG12 :: 0.771 HG13 :: 0.587 HG21 :: 0.611 HG22 :: 0.611 HG23 :: 0.611 HD11 :: 0.455 HD12 :: 0.455 HD13 :: 0.455 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.428 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.43 T 0.31 C 0.25 C Shift Assignments>> C :: 175.237 CA :: 56.129 CB :: 69.925 CG2 :: 20.715 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 :: 8.717 HA :: 4.598 HB :: 4.196 HG21 :: 0.879 HG22 :: 0.879 HG23 :: 0.879 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 :: 117.200 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 R 0.22 K 0.16 C 0.11 F 0.08 D 0.08 Y 0.06 G 0.01 HN Overlap>> 1.L133 1.L133 C Shift Assignments>> C :: 178.667 CA :: 56.433 CB :: 42.666 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 :: 8.340 HA :: 4.481 HB2 :: 3.059 HB3 :: 2.720 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 :: 124.413 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.M10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 A 0.38 M 0.1 C Shift Assignments>> C :: 177.335 CA :: 55.151 CB :: 36.605 CG :: 34.771 CE :: 18.34 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 :: 8.715 HA :: 4.648 HB2 :: 2.081 HB3 :: 2.081 HG2 :: 2.425 HG3 :: 2.425 HE1 :: 2.000 HE2 :: 2.000 HE3 :: 2.000 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 :: 115.480 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 175.405 CA :: 60.557 CB :: 71.158 CG2 :: 21.938 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 :: 8.816 HA :: 4.350 HB :: 4.752 HG21 :: 1.286 HG22 :: 1.286 HG23 :: 1.286 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 :: 113.520 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 178.738 CA :: 64.190 CB :: 37.391 CG1 :: 28.756 CG2 :: 17.478 CD1 :: 12.584 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 :: 8.671 HA :: 3.852 HB :: 1.873 HG12 :: 1.555 HG13 :: 1.326 HG21 :: 0.929 HG22 :: 0.929 HG23 :: 0.929 HD11 :: 0.887 HD12 :: 0.887 HD13 :: 0.887 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.247 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.34 C 0.33 E 0.24 K 0.05 Q 0.01 C Shift Assignments>> C :: 178.535 CA :: 60.196 CB :: 28.658 CG :: 36.537 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 :: 8.312 HA :: 3.974 HB2 :: 2.002 HB3 :: 2.002 HG2 :: 2.388 HG3 :: 2.314 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 :: 122.630 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 I 0.28 E 0.26 M 0.02 C Shift Assignments>> C :: 177.819 CA :: 59.594 CB :: 30.756 CG :: 37.828 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.596 HA :: 3.716 HB2 :: 1.789 HB3 :: 1.789 HG2 :: 2.327 HG3 :: 2.019 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.718 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.31 G 0.09 R 0.05 C Shift Assignments>> C :: 177.176 CA :: 57.400 CB :: 43.259 CG :: 25.963 CD1 :: 25.427 CD2 :: 25.527 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 :: 8.124 HA :: 4.060 HB2 :: 1.687 HB3 :: 1.687 HG :: 1.757 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 HD21 :: 0.849 HD22 :: 0.849 HD23 :: 0.849 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 :: 117.156 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.147 CA :: 58.640 CB :: 64.715 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.540 HA :: 4.400 HB2 :: 3.979 HB3 :: 3.897 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 :: 108.757 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.29 G 0.24 K 0.03 C Shift Assignments>> C :: 176.143 CA :: 57.499 CB :: 31.263 CG :: 25.850 CD :: 44.455 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.360 HA :: 4.096 HB2 :: 2.279 HB3 :: 1.630 HG2 :: 2.114 HG3 :: 1.837 HD2 :: 3.442 HD3 :: 3.189 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 :: 124.591 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.D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 D 0.23 K 0.15 C 0.1 R 0.08 F 0.06 N 0.05 Y 0.05 HN Overlap>> 1.V28 1.V28 C Shift Assignments>> C :: 175.485 CA :: 54.179 CB :: 41.914 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 :: 8.663 HA :: 4.908 HB2 :: 2.621 HB3 :: 2.621 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 :: 124.729 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.W19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 W 0.46 H 0.01 C Shift Assignments>> C :: 173.130 CA :: 55.969 CB :: 31.034 CD1 :: 126.687 CE3 :: 121.4 CZ2 :: 112.742 CZ3 :: 122.5 CH2 :: 122.5 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 :: 8.298 HA :: 4.785 HB2 :: 3.280 HB3 :: 3.038 HD1 :: 7.196 HE1 :: 9.702 HE3 :: 7.332 HZ2 :: 6.960 HZ3 :: 6.604 HH2 :: 6.586 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 :: 120.059 NE1 :: 129.351 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) FLAG polypeptide(L) 1.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.37 HN Overlap>> 1.A119 1.A119 C Shift Assignments>> C :: 173.762 CA :: 56.208 CB :: 41.136 CD1 :: 132.173 CD2 :: 132.173 CE1 :: 131.17 CE2 :: 131.17 CZ :: 129.77 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 :: 8.455 HA :: 4.391 HB2 :: 2.930 HB3 :: 2.832 HD1 :: 7.091 HD2 :: 7.091 HE1 :: 7.265 HE2 :: 7.265 HZ :: 7.264 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 :: 120.864 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.M21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 A 0.32 M 0.3 C Shift Assignments>> C :: 174.983 CA :: 54.510 CG :: 33.813 CE :: 17.55 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 :: 8.136 HA :: 4.324 HG2 :: 2.136 HG3 :: 1.763 HE1 :: 1.616 HE2 :: 1.616 HE3 :: 1.616 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.839 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.35 R 0.07 G 0.01 C Shift Assignments>> C :: 178.687 CA :: 57.317 CB :: 42.060 CG :: 27.441 CD1 :: 24.474 CD2 :: 23.933 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 :: 9.608 HA :: 4.169 HB2 :: 1.933 HB3 :: 1.586 HG :: 1.707 HD11 :: 0.966 HD12 :: 0.966 HD13 :: 0.966 HD21 :: 0.923 HD22 :: 0.923 HD23 :: 0.923 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.106 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.M23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 A 0.31 C 0.26 HN Overlap>> 1.I95 1.I95 1.V53 1.V53 C Shift Assignments>> C :: 172.826 CA :: 52.516 CB :: 34.536 CG :: 32.139 CE :: 16.53 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 :: 8.712 HA :: 4.863 HB2 :: 2.074 HB3 :: 1.754 HG2 :: 2.507 HG3 :: 2.357 HE1 :: 1.956 HE2 :: 1.956 HE3 :: 1.956 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.140 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.P24 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 :: 177.58 CA :: 64.07 CB :: 33.63 CG :: 26.90 CD :: 50.47 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 :: 4.695 HB2 :: 2.167 HB3 :: 1.845 HG2 :: 2.031 HG3 :: 1.896 HD2 :: 3.636 HD3 :: 3.215 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.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.16 M 0.01 G 0.01 C Shift Assignments>> C :: 174.094 CA :: 55.877 CB :: 34.505 CG :: 24.799 CD :: 29.054 CE :: 42.130 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 :: 8.322 HA :: 4.500 HB2 :: 2.021 HB3 :: 1.721 HG2 :: 1.332 HG3 :: 1.270 HD2 :: 1.668 HD3 :: 1.668 HE2 :: 2.906 HE3 :: 2.906 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 :: 123.17 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.Q26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 Q 0.27 E 0.18 N 0.01 C Shift Assignments>> C :: 174.412 CA :: 54.193 CB :: 32.296 CG :: 34.686 CD :: 179.758 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 :: 8.731 HA :: 5.472 HB2 :: 1.927 HB3 :: 1.927 HG2 :: 2.102 HG3 :: 2.089 HE21 :: 7.351 HE22 :: 6.872 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 :: 125.568 NE2 :: 112.062 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.29 R 0.21 G 0.01 M 0.01 C Shift Assignments>> C :: 174.236 CA :: 54.935 CB :: 36.516 CG :: 24.780 CD :: 29.135 CE :: 42.076 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 :: 9.388 HA :: 4.662 HB2 :: 1.837 HB3 :: 1.637 HG2 :: 1.404 HG3 :: 1.345 HD2 :: 1.691 HD3 :: 1.656 HE2 :: 2.999 HE3 :: 2.999 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 :: 125.825 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 HN Overlap>> 1.D18 1.D18 C Shift Assignments>> C :: 175.471 CA :: 62.001 CB :: 32.651 CG1 :: 22.169 CG2 :: 21.539 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 :: 8.692 HA :: 4.540 HB :: 2.017 HG11 :: 0.944 HG12 :: 0.944 HG13 :: 0.944 HG21 :: 0.978 HG22 :: 0.978 HG23 :: 0.978 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 :: 124.760 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.26 M 0.25 Q 0.07 K 0.04 C Shift Assignments>> C :: 175.555 CA :: 54.055 CB :: 31.126 CG :: 35.711 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 :: 8.599 HA :: 4.596 HB2 :: 1.835 HB3 :: 1.650 HG2 :: 1.987 HG3 :: 1.987 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 129.972 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.16 R 0.1 C 0.09 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.781 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.878 HA2 :: 4.147 HA3 :: 3.447 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 118.387 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 175.242 CA :: 63.082 CB :: 32.165 CG :: 27.350 CD :: 49.876 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 :: 3.997 HB2 :: 2.366 HB3 :: 1.896 HG2 :: 2.217 HG3 :: 1.685 HD2 :: 3.688 HD3 :: 3.607 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.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.24 C 0.2 R 0.05 A 0.03 C Shift Assignments>> C :: 172.938 CA :: 53.683 CB :: 44.891 CG :: 27.395 CD1 :: 27.166 CD2 :: 23.309 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 :: 7.521 HA :: 4.860 HB2 :: 1.588 HB3 :: 1.005 HG :: 1.231 HD11 :: 0.500 HD12 :: 0.500 HD13 :: 0.500 HD21 :: 0.320 HD22 :: 0.320 HD23 :: 0.320 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 :: 121.001 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.C33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 Q 0.14 W 0.12 R 0.11 H 0.11 C 0.11 E 0.11 I 0.04 L 0.04 M 0.02 C Shift Assignments>> C :: 173.234 CA :: 57.400 CB :: 28.535 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.093 HA :: 4.837 HB2 :: 2.986 HB3 :: 2.636 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 :: 120.683 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 I 0.28 V 0.04 C Shift Assignments>> C :: 174.793 CA :: 61.023 CB :: 40.880 CG1 :: 29.442 CG2 :: 19.869 CD1 :: 16.751 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 :: 9.284 HA :: 4.965 HB :: 1.837 HG12 :: 1.521 HG13 :: 1.107 HG21 :: 0.816 HG22 :: 0.816 HG23 :: 0.816 HD11 :: 0.900 HD12 :: 0.900 HD13 :: 0.900 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 128.931 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.R35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 G 0.21 K 0.13 R 0.12 C Shift Assignments>> C :: 174.821 CA :: 54.992 CB :: 34.338 CG :: 28.786 CD :: 43.904 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.281 HA :: 5.378 HB2 :: 2.019 HB3 :: 1.794 HG2 :: 1.831 HG3 :: 1.518 HD2 :: 3.202 HD3 :: 3.025 HE :: 7.077 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 :: 126.820 NE :: 84.81 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.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 I 0.31 G 0.21 C Shift Assignments>> C :: 173.258 CA :: 60.357 CB :: 43.520 CG1 :: 27.825 CG2 :: 17.095 CD1 :: 14.393 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 :: 8.734 HA :: 4.727 HB :: 1.600 HG12 :: 1.475 HG13 :: 0.876 HG21 :: 0.780 HG22 :: 0.780 HG23 :: 0.780 HD11 :: 0.786 HD12 :: 0.786 HD13 :: 0.786 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 :: 119.897 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.2 N 0.11 K 0.11 C 0.1 F 0.05 Y 0.04 R 0.04 C Shift Assignments>> C :: 177.659 CA :: 53.238 CB :: 41.499 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 :: 8.075 HA :: 4.790 HB2 :: 3.320 HB3 :: 2.527 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.281 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.36 Q 0.24 C Shift Assignments>> C :: 175.003 CA :: 57.015 CB :: 29.331 CG :: 35.394 CD :: 180.402 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 :: 9.113 HA :: 4.107 HB2 :: 2.291 HB3 :: 2.266 HG2 :: 2.514 HG3 :: 2.271 HE21 :: 7.111 HE22 :: 6.990 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 :: 125.835 NE2 :: 111.718 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.22 L 0.06 C 0.05 C Shift Assignments>> C :: 177.757 CA :: 52.873 CB :: 20.630 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.497 HA :: 4.296 HB1 :: 1.441 HB2 :: 1.441 HB3 :: 1.441 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.974 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 I 0.23 C Shift Assignments>> C :: 175.103 CA :: 59.272 CB :: 36.222 CG1 :: 26.834 CG2 :: 16.825 CD1 :: 9.457 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 6.805 HA :: 4.110 HB :: 2.059 HG12 :: 1.514 HG13 :: 1.475 HG21 :: 0.812 HG22 :: 0.812 HG23 :: 0.812 HD11 :: 0.762 HD12 :: 0.762 HD13 :: 0.762 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.228 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.M41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 A 0.3 M 0.24 I 0.03 C Shift Assignments>> C :: 175.212 CA :: 54.745 CB :: 37.139 CG :: 31.526 CE :: 17.19 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 :: 8.477 HA :: 5.218 HB2 :: 2.095 HB3 :: 1.850 HG2 :: 2.484 HG3 :: 2.428 HE1 :: 2.056 HE2 :: 2.056 HE3 :: 2.056 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 :: 128.093 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.18 F 0.18 D 0.18 C 0.17 L 0.1 N 0.09 K 0.03 I 0.02 C Shift Assignments>> C :: 175.422 CA :: 55.944 CB :: 39.808 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 :: 6.933 HA :: 4.484 HB2 :: 3.030 HB3 :: 2.688 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 :: 113.910 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.39 R 0.13 G 0.03 C Shift Assignments>> C :: 175.992 CA :: 53.880 CB :: 34.597 CG :: 24.793 CD :: 28.240 CE :: 42.547 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 :: 9.345 HA :: 4.879 HB2 :: 1.770 HB3 :: 1.661 HG2 :: 1.627 HG3 :: 1.332 HD2 :: 1.812 HD3 :: 1.732 HE2 :: 3.199 HE3 :: 3.072 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.863 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.N44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.31 C 0.16 C Shift Assignments>> C :: 174.838 CA :: 52.947 CB :: 39.273 CG :: 176.995 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 :: 8.518 HA :: 5.278 HB2 :: 2.699 HB3 :: 2.699 HD21 :: 7.682 HD22 :: 6.893 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.441 ND2 :: 113.784 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 C 0.48 A 0.02 C Shift Assignments>> C :: 173.985 CA :: 58.728 CB :: 40.782 CG1 :: 28.110 CG2 :: 19.044 CD1 :: 14.178 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 :: 9.144 HA :: 4.840 HB :: 1.659 HG12 :: 1.253 HG13 :: 0.957 HG21 :: 0.660 HG22 :: 0.660 HG23 :: 0.660 HD11 :: 0.561 HD12 :: 0.561 HD13 :: 0.561 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 :: 125.323 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.M46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 A 0.29 C 0.28 C Shift Assignments>> C :: 175.610 CA :: 52.943 CB :: 34.660 CG :: 31.977 CE :: 16.53 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 :: 9.337 HA :: 5.305 HB2 :: 2.036 HB3 :: 1.940 HG2 :: 2.544 HG3 :: 2.117 HE1 :: 1.956 HE2 :: 1.956 HE3 :: 1.956 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 128.492 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.26 R 0.05 C Shift Assignments>> C :: 174.629 CA :: 54.462 CB :: 41.758 CG :: 27.016 CD1 :: 25.448 CD2 :: 24.166 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 :: 8.972 HA :: 5.002 HB2 :: 1.881 HB3 :: 1.132 HG :: 1.698 HD11 :: 0.658 HD12 :: 0.658 HD13 :: 0.658 HD21 :: 0.578 HD22 :: 0.578 HD23 :: 0.578 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 :: 126.245 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.43 K 0.07 C Shift Assignments>> C :: 174.621 CA :: 55.220 CB :: 37.723 CG :: 26.285 CD :: 29.840 CE :: 41.767 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 :: 8.908 HA :: 4.975 HB2 :: 1.933 HB3 :: 1.790 HG2 :: 1.382 HG3 :: 1.382 HD2 :: 1.379 HD3 :: 1.181 HE2 :: 2.558 HE3 :: 2.360 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 :: 120.726 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.A49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.28 P 0.28 C 0.17 K 0.1 R 0.07 H 0.02 Q 0.02 M 0.01 W 0.01 C Shift Assignments>> C :: 172.782 CA :: 51.549 CB :: 25.421(S) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 10.647(S) HA :: 5.551 HB1 :: 1.449 HB2 :: 1.449 HB3 :: 1.449 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.571 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 C 0.23 D 0.06 C Shift Assignments>> C :: 175.348 CA :: 50.808 CB :: 38.246 CG :: 175.142 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 :: 8.668 HA :: 5.851 HB2 :: 2.842 HB3 :: 2.583 HD21 :: 7.862 HD22 :: 6.511 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.674 ND2 :: 110.553 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.F51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 C 0.44 HN Overlap>> 1.I88 1.I88 C Shift Assignments>> C :: 171.964 CA :: 56.317 CB :: 40.286 CD1 :: 133.015 CD2 :: 133.015 CE1 :: 130.74 CE2 :: 130.74 CZ :: 128.78 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 :: 9.045 HA :: 5.348 HB2 :: 3.328 HB3 :: 3.315 HD1 :: 6.800 HD2 :: 6.800 HE1 :: 6.885 HE2 :: 6.885 HZ :: 7.054 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 :: 120.377 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.93 T 0.06 C Shift Assignments>> C :: 174.985 CA :: 56.306 CB :: 66.191 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.630 HA :: 5.345 HB2 :: 3.866 HB3 :: 3.690 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.555 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.38 I 0.01 HN Overlap>> 1.I95 1.M23 1.I95 1.M23 C Shift Assignments>> C :: 174.841 CA :: 60.369 CB :: 36.156 CG1 :: 21.709 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 :: 8.670 HA :: 4.834 HB :: 1.404 HG11 :: 0.304 HG12 :: 0.304 HG13 :: 0.304 HG21 :: 0.232 HG22 :: 0.232 HG23 :: 0.232 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 :: 119.131 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 174.793 CA :: 60.076 CB :: 40.965 CG1 :: 27.690 CG2 :: 16.838 CD1 :: 13.526 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 :: 8.661 HA :: 4.256 HB :: 1.524 HG12 :: 1.164 HG13 :: 0.709 HG21 :: 0.733 HG22 :: 0.733 HG23 :: 0.733 HD11 :: 0.710 HD12 :: 0.710 HD13 :: 0.710 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 :: 123.454 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.F55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 F 0.45 C Shift Assignments>> C :: 174.828 CA :: 59.345 CB :: 36.653 CD1 :: 131.937 CD2 :: 131.937 CE1 :: 131.70 CE2 :: 131.70 CZ :: 129.59 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 :: 8.856 HA :: 4.264 HB2 :: 3.377 HB3 :: 3.197 HD1 :: 7.263 HD2 :: 7.263 HE1 :: 7.384 HE2 :: 7.384 HZ :: 7.311 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 :: 124.453 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.15 C 0.13 F 0.12 Y 0.11 N 0.1 K 0.08 R 0.01 I 0.01 C Shift Assignments>> C :: 174.787 CA :: 54.988 CB :: 40.549 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.634 HA :: 4.530 HB2 :: 2.956 HB3 :: 2.858 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 :: 114.814 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 G 0.22 R 0.13 K 0.1 C Shift Assignments>> C :: 174.353 CA :: 54.534 CB :: 34.361 CG :: 26.218 CD :: 43.825 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 :: 8.191 HA :: 5.380 HB2 :: 2.002 HB3 :: 1.945 HG2 :: 1.886 HG3 :: 1.837 HD2 :: 3.328 HD3 :: 3.309 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 :: 117.052 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.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 L 0.29 R 0.23 K 0.07 C Shift Assignments>> C :: 173.596 CA :: 58.312 CB :: 41.814 CG :: 27.879 CD1 :: 27.096 CD2 :: 25.165 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 :: 7.976 HA :: 4.217 HB2 :: 1.354 HB3 :: 1.109 HG :: 1.599 HD11 :: 0.007 HD12 :: 0.007 HD13 :: 0.007 HD21 :: 0.649 HD22 :: 0.649 HD23 :: 0.649 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 :: 122.882 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.3 M 0.15 Q 0.1 K 0.07 I 0.03 C Shift Assignments>> C :: 174.820 CA :: 57.407 CB :: 30.797 CG :: 35.456 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.476 HA :: 4.557 HB2 :: 2.131 HB3 :: 1.778 HG2 :: 2.249 HG3 :: 2.173 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 :: 129.421 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.T60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.67 C 0.32 C Shift Assignments>> C :: 173.363 CA :: 60.375 CB :: 72.115 CG2 :: 22.702 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 :: 7.416 HA :: 4.703 HB :: 3.988 HG21 :: 1.086 HG22 :: 1.086 HG23 :: 1.086 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 :: 112.339 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.L61 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> L 0.38 G 0.28 C 0.24 R 0.07 C Shift Assignments>> C :: 175.213 CA :: 55.232 CB :: 44.450 CG :: 26.970 CD1 :: 23.948 CD2 :: 26.166 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 :: 12.56(A) HA :: 4.463 HB2 :: 1.868 HB3 :: 1.105 HG :: 1.345 HD11 :: 0.864 HD12 :: 0.864 HD13 :: 0.864 HD21 :: 0.585 HD22 :: 0.585 HD23 :: 0.585 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 :: 132.65 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 175.528 CA :: 63.501 CB :: 37.804 CG1 :: 28.640 CG2 :: 17.170 CD1 :: 12.828 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 :: 8.652 HA :: 4.189 HB :: 1.760 HG12 :: 1.633 HG13 :: 1.315 HG21 :: 0.987 HG22 :: 0.987 HG23 :: 0.987 HD11 :: 0.887 HD12 :: 0.887 HD13 :: 0.887 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.608 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 G 0.35 L 0.1 A 0.03 R 0.01 C Shift Assignments>> C :: 173.267 CA :: 55.779 CB :: 46.424 CG :: 28.163 CD1 :: 22.894 CD2 :: 26.163 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 :: 7.715 HA :: 4.523 HB2 :: 1.782 HB3 :: 1.521 HG :: 1.537 HD11 :: 1.215 HD12 :: 1.215 HD13 :: 1.215 HD21 :: 1.011 HD22 :: 1.011 HD23 :: 1.011 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 :: 114.505 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 G 0.4 L 0.03 A 0.01 R 0.01 C Shift Assignments>> C :: 175.678 CA :: 54.214 CB :: 46.590 CG :: 26.197 CD1 :: 28.974 CD2 :: 24.199 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 :: 8.430 HA :: 5.458 HB2 :: 1.691 HB3 :: 1.603 HG :: 1.884 HD11 :: 0.706 HD12 :: 0.706 HD13 :: 0.706 HD21 :: 0.565 HD22 :: 0.565 HD23 :: 0.565 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.476 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.12 M 0.1 H 0.09 Q 0.08 K 0.07 C 0.07 R 0.07 D 0.07 W 0.05 E 0.05 Y 0.04 F 0.04 N 0.02 A 0.02 S 0.02 C Shift Assignments>> C :: 171.517 CA :: 55.713 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.550 HA :: 4.891 HB2 :: 2.050 HB3 :: 0.986 HE :: 7.855 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.689 NE :: 84.8 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.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 C 0.05 G 0.05 M 0.05 L 0.01 C Shift Assignments>> C :: 174.909 CA :: 49.155 CB :: 20.607 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.773 HA :: 5.004 HB1 :: 0.800 HB2 :: 0.800 HB3 :: 0.800 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.132 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 C 0.36 G 0.17 C Shift Assignments>> C :: 177.750 CA :: 56.432 CB :: 43.403 CD1 :: 132.223 CD2 :: 132.223 CE1 :: 131.9 CE2 :: 131.9 CZ :: 128.1 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 :: 9.093 HA :: 5.640 HB2 :: 3.035 HB3 :: 2.825 HD1 :: 7.064 HD2 :: 7.064 HE1 :: 7.142 HE2 :: 7.142 HZ :: 6.967 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 :: 121.763 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.24 C Shift Assignments>> C :: 177.776 CA :: 60.962 CB :: 71.184 CG2 :: 23.152 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 :: 9.383 HA :: 4.945 HB :: 4.977 HG21 :: 1.247 HG22 :: 1.247 HG23 :: 1.247 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 :: 112.406 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 I 0.3 E 0.29 K 0.03 M 0.01 C Shift Assignments>> C :: 177.806 CA :: 59.537 CB :: 29.541 CG :: 37.242 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.336 HA :: 4.109 HB2 :: 2.182 HB3 :: 2.182 HG2 :: 2.521 HG3 :: 2.349 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 :: 122.936 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.36 I 0.15 K 0.06 M 0.02 C Shift Assignments>> C :: 176.854 CA :: 57.357 CB :: 29.190 CG :: 37.126 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 :: 8.117 HA :: 4.388 HB2 :: 2.248 HB3 :: 2.008 HG2 :: 2.461 HG3 :: 2.307 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 :: 115.769 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.723 CA :: 45.349 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.145 HA2 :: 4.403 HA3 :: 3.746 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.093 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.16 C 0.02 C Shift Assignments>> C :: 176.907 CA :: 51.950 CB :: 19.390 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.408 HA :: 4.377 HB1 :: 1.376 HB2 :: 1.376 HB3 :: 1.376 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.830 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.I73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 176.267 CA :: 61.244 CB :: 38.169 CG1 :: 29.414 CG2 :: 16.570 CD1 :: 15.076 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>> HA :: 3.957 HB :: 0.871 HG12 :: 1.405 HG13 :: 0.011 HG21 :: -0.720(S) HG22 :: -0.720(S) HG23 :: -0.720(S) HD11 :: 0.663 HD12 :: 0.663 HD13 :: 0.663 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) FLAG polypeptide(L) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 V 0.39 I 0.02 C Shift Assignments>> C :: 173.620 CA :: 60.155 CB :: 33.837 CG1 :: 22.942 CG2 :: 19.250 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 :: 8.204 HA :: 4.700 HB :: 2.411 HG11 :: 0.839 HG12 :: 0.839 HG13 :: 0.839 HG21 :: 0.525 HG22 :: 0.525 HG23 :: 0.525 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 :: 115.293 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.G75 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 :: 171.266 CA :: 45.459 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.771 HA2 :: 4.805 HA3 :: 3.508 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.759 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.E76 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 174.188 CA :: 55.854 CB :: 36.835(S) CG :: 38.639 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.322 HA :: 5.272 HB2 :: 2.258 HB3 :: 2.076 HG2 :: 2.376 HG3 :: 2.142 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 :: 120.923 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.34 C Shift Assignments>> C :: 174.071 CA :: 60.636 CB :: 41.160 CG1 :: 27.370 CG2 :: 18.742 CD1 :: 14.625 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 :: 9.053 HA :: 5.338 HB :: 1.568 HG12 :: 1.658 HG13 :: 1.014 HG21 :: 0.655 HG22 :: 0.655 HG23 :: 0.655 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 :: 123.552 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.01 C 0.01 C Shift Assignments>> CA :: 54.035 CB :: 65.691 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.089 HA :: 5.249 HB2 :: 3.960 HB3 :: 3.780 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 :: 119.790 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.P79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.32 C Shift Assignments>> C :: 177.18 CA :: 62.937 CB :: 32.409 CG :: 27.897 CD :: 51.912 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 :: 4.740 HB2 :: 2.438 HB3 :: 2.127 HG2 :: 2.386 HG3 :: 2.029 HD2 :: 3.894 HD3 :: 3.547 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.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.22 R 0.14 G 0.02 A 0.01 K 0.01 C Shift Assignments>> CA :: 53.206 CB :: 42.359 CG :: 27.646 CD1 :: 26.248 CD2 :: 24.068 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 :: 8.156 HA :: 4.679 HB2 :: 1.746 HB3 :: 1.702 HG :: 1.535 HD11 :: 0.892 HD12 :: 0.892 HD13 :: 0.892 HD21 :: 0.971 HD22 :: 0.971 HD23 :: 0.971 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 :: 125.81 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.P81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 177.139 CA :: 64.472 CB :: 31.797 CG :: 27.414 CD :: 50.973 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 :: 4.441 HB2 :: 2.398 HB3 :: 2.034 HG2 :: 2.116 HG3 :: 2.116 HD2 :: 3.972 HD3 :: 3.879 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.S82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.628 CA :: 59.062 CB :: 62.784 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.820 HA :: 4.219 HB2 :: 3.819 HB3 :: 3.734 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 :: 109.804 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.F83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 C 0.29 Y 0.27 C Shift Assignments>> C :: 173.511 CA :: 56.211 CB :: 40.269 CD1 :: 132.153 CD2 :: 132.153 CE1 :: 131.4 CE2 :: 131.4 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.723 HA :: 4.891 HB2 :: 3.329 HB3 :: 3.071 HD1 :: 7.327 HD2 :: 7.327 HE1 :: 7.325 HE2 :: 7.325 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 :: 120.396 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.P84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 177.019 CA :: 63.843 CB :: 31.763 CG :: 27.203 CD :: 50.487 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 :: 4.553 HB2 :: 2.285 HB3 :: 2.059 HG2 :: 2.051 HG3 :: 2.051 HD2 :: 3.811 HD3 :: 3.648 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.G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 172.104 CA :: 45.385 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.872 HA2 :: 4.001 HA3 :: 3.865 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.263 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.H86 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> H 0.36 W 0.32 C 0.31 C Shift Assignments>> C :: 174.036 CA :: 54.968 CB :: 31.062 CE1 :: 138.13 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.598 HA :: 5.015 HB2 :: 3.387 HB3 :: 3.235 HD2 :: 6.507 HE1 :: 7.882 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 114.515 ND1 :: 171.89 NE2 :: 253.92(A) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 T 0.43 C Shift Assignments>> C :: 176.753 CA :: 59.833 CB :: 73.602 CG2 :: 21.413 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 :: 9.685 HA :: 5.067 HB :: 4.821 HG21 :: 1.324 HG22 :: 1.324 HG23 :: 1.324 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.753 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.I88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 HN Overlap>> 1.F51 1.F51 C Shift Assignments>> C :: 176.542 CA :: 64.241 CB :: 37.157 CG1 :: 29.799 CG2 :: 16.815 CD1 :: 14.497 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 :: 9.110 HA :: 3.896 HB :: 2.169 HG12 :: 1.505 HG13 :: 1.282 HG21 :: 1.086 HG22 :: 1.086 HG23 :: 1.086 HD11 :: 1.279 HD12 :: 1.279 HD13 :: 1.279 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.338 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 I 0.32 E 0.24 K 0.05 Q 0.01 HN Overlap>> 1.S112 1.S112 C Shift Assignments>> C :: 178.950 CA :: 59.978 CB :: 28.410 CG :: 36.457 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.899 HA :: 3.997 HB2 :: 1.964 HB3 :: 1.932 HG2 :: 2.389 HG3 :: 2.315 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.840 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 F 0.18 Y 0.14 C 0.13 L 0.13 D 0.07 R 0.06 I 0.03 C Shift Assignments>> C :: 179.267 CA :: 57.653 CB :: 41.334 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 :: 7.697 HA :: 4.444 HB2 :: 3.181 HB3 :: 2.560 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.339 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.159 CA :: 67.075 CB :: 31.594 CG1 :: 20.874 CG2 :: 24.346 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 :: 7.812 HA :: 3.175 HB :: 2.182 HG11 :: 0.659 HG12 :: 0.659 HG13 :: 0.659 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 :: 120.703 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.K92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.36 R 0.18 C Shift Assignments>> C :: 179.575 CA :: 61.140 CB :: 32.220 CG :: 25.995 CD :: 29.651 CE :: 41.627 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 :: 8.757 HA :: 3.754 HB2 :: 1.962 HB3 :: 1.833 HG2 :: 1.605 HG3 :: 0.988 HD2 :: 1.634 HD3 :: 1.545 HE2 :: 2.745 HE3 :: 2.645 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.714 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.N93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 N 0.32 D 0.1 C Shift Assignments>> C :: 177.727 CA :: 56.153 CB :: 38.122 CG :: 175.562 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 :: 8.367 HA :: 4.484 HB2 :: 2.942 HB3 :: 2.845 HD21 :: 7.810 HD22 :: 7.108 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.326 ND2 :: 113.089 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.A94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.34 C 0.05 I 0.02 V 0.02 L 0.02 T 0.01 C Shift Assignments>> C :: 178.696 CA :: 55.448 CB :: 19.404 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.085 HA :: 3.905 HB1 :: 1.405 HB2 :: 1.405 HB3 :: 1.405 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.030 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 C 0.04 HN Overlap>> 1.T108 1.M23 1.V53 1.T108 1.M23 1.V53 C Shift Assignments>> C :: 177.412 CA :: 66.786 CB :: 37.633 CG1 :: 30.332 CG2 :: 17.195 CD1 :: 14.096 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 :: 8.716 HA :: 3.256 HB :: 1.737 HG12 :: 1.800 HG13 :: 0.459 HG21 :: 0.248 HG22 :: 0.248 HG23 :: 0.248 HD11 :: 0.463 HD12 :: 0.463 HD13 :: 0.463 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 :: 119.174 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 C 0.26 P 0.09 A 0.05 L 0.02 N 0.02 C Shift Assignments>> C :: 177.206 CA :: 47.753 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.125 HA2 :: 4.125 HA3 :: 3.773 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.409 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 179.019 CA :: 66.254 CB :: 31.628 CG1 :: 21.657 CG2 :: 22.504 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 :: 7.749 HA :: 3.721 HB :: 2.206 HG11 :: 0.881 HG12 :: 0.881 HG13 :: 0.881 HG21 :: 1.029 HG22 :: 1.029 HG23 :: 1.029 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 :: 123.448 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.3 L 0.16 K 0.07 G 0.01 C Shift Assignments>> C :: 177.547 CA :: 58.598 CB :: 42.045 CG :: 27.152 CD1 :: 24.184 CD2 :: 27.962 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 :: 8.163 HA :: 3.953 HB2 :: 1.987 HB3 :: 1.374 HG :: 1.368 HD11 :: 0.777 HD12 :: 0.777 HD13 :: 0.777 HD21 :: 0.647 HD22 :: 0.647 HD23 :: 0.647 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 :: 122.824 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.I99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 C 0.03 C Shift Assignments>> C :: 178.118 CA :: 67.496 CB :: 37.723 CG1 :: 30.317 CG2 :: 16.926 CD1 :: 13.671 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 :: 9.085 HA :: 3.323 HB :: 1.720 HG12 :: 1.752 HG13 :: 0.585 HG21 :: 0.779 HG22 :: 0.779 HG23 :: 0.779 HD11 :: 0.457 HD12 :: 0.457 HD13 :: 0.457 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 :: 118.036 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.G100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 C 0.21 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 176.968 CA :: 47.284 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.269 HA2 :: 3.924 HA3 :: 3.920 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.450 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.G101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 C 0.19 L 0.03 A 0.01 C Shift Assignments>> C :: 176.112 CA :: 47.132 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.143 HA2 :: 3.876 HA3 :: 3.624 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.307 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.33 R 0.16 G 0.04 C Shift Assignments>> C :: 181.408 CA :: 57.522 CB :: 42.778 CG :: 26.724 CD1 :: 26.643 CD2 :: 22.551 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 :: 8.153 HA :: 4.256 HB2 :: 1.966 HB3 :: 0.956 HG :: 1.856 HD11 :: 0.584 HD12 :: 0.584 HD13 :: 0.584 HD21 :: 0.764 HD22 :: 0.764 HD23 :: 0.764 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 :: 121.034 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 C 0.35 E 0.21 K 0.01 C Shift Assignments>> C :: 180.238 CA :: 59.788 CB :: 29.365 CG :: 37.930 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.319 HA :: 4.380 HB2 :: 2.230 HB3 :: 2.036 HG2 :: 2.639 HG3 :: 2.341 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.912 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.R104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 G 0.08 K 0.06 L 0.01 C Shift Assignments>> C :: 176.555 CA :: 58.738 CB :: 29.692 CG :: 27.423 CD :: 43.399 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.760 HA :: 4.217 HB2 :: 2.022 HB3 :: 1.938 HG2 :: 1.834 HG3 :: 1.786 HD2 :: 3.256 HD3 :: 3.256 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 :: 120.077 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.N105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 C 0.17 D 0.15 C Shift Assignments>> C :: 172.910 CA :: 51.800 CB :: 38.166 CG :: 176.791 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 :: 6.941 HA :: 5.115 HB2 :: 3.625 HB3 :: 2.499 HD21 :: 7.889 HD22 :: 6.499 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.815 ND2 :: 112.003 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.22 F 0.16 N 0.11 E 0.08 D 0.07 I 0.04 L 0.02 M 0.01 C Shift Assignments>> C :: 175.088 CA :: 56.144 CB :: 38.257 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 :: 7.812 HA :: 4.370 HB2 :: 3.102 HB3 :: 2.889 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 :: 111.755 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.N107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.23 L 0.13 C 0.11 F 0.06 Y 0.05 K 0.04 C Shift Assignments>> C :: 175.206 CA :: 52.925 CB :: 40.589 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 :: 7.116 HA :: 5.311 HB2 :: 2.462 HB3 :: 1.965 HD21 :: 7.516 HD22 :: 6.771 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 112.783 ND2 :: 113.87 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.T108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 HN Overlap>> 1.I95 1.I95 C Shift Assignments>> C :: 173.638 CA :: 62.316 CB :: 69.966 CG2 :: 21.284 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 :: 8.774 HA :: 4.560 HB :: 4.208 HG21 :: 1.167 HG22 :: 1.167 HG23 :: 1.167 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.254 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.V109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 174.733 CA :: 61.748 CB :: 32.985 CG1 :: 22.917 CG2 :: 22.765 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 :: 9.398 HA :: 4.628 HB :: 1.947 HG11 :: 0.709 HG12 :: 0.709 HG13 :: 0.709 HG21 :: 0.754 HG22 :: 0.754 HG23 :: 0.754 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.434 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.R110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.23 K 0.2 G 0.12 C Shift Assignments>> C :: 174.503 CA :: 54.101 CB :: 33.651 CG :: 27.929 CD :: 43.442 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 :: 8.999 HA :: 4.775 HB2 :: 1.838 HB3 :: 1.753 HG2 :: 1.631 HG3 :: 1.630 HD2 :: 3.181 HD3 :: 3.181 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 :: 127.830 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.V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.43 C Shift Assignments>> C :: 176.060 CA :: 60.790 CB :: 34.444 CG1 :: 22.285 CG2 :: 20.505 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 :: 8.610 HA :: 4.493 HB :: 2.014 HG11 :: 0.873 HG12 :: 0.873 HG13 :: 0.873 HG21 :: 0.803 HG22 :: 0.803 HG23 :: 0.803 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 :: 116.851 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E89 1.E89 C Shift Assignments>> C :: 174.667 CA :: 58.890 CB :: 64.449 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.958 HA :: 4.394 HB2 :: 4.406 HB3 :: 4.406 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 :: 121.855 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.K113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.19 M 0.01 G 0.01 C Shift Assignments>> C :: 179.893 CA :: 59.548 CB :: 32.225 CG :: 25.404 CD :: 29.091 CE :: 42.148 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 :: 9.079 HA :: 4.060 HB2 :: 1.982 HB3 :: 1.946 HG2 :: 1.666 HG3 :: 1.591 HD2 :: 1.751 HD3 :: 1.751 HE2 :: 3.050 HE3 :: 3.050 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 :: 120.870 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.T114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.23 S 0.01 C Shift Assignments>> C :: 177.847 CA :: 64.455 CB :: 66.973 CG2 :: 23.729 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 :: 8.032 HA :: 4.168 HB :: 4.554 HG21 :: 1.487 HG22 :: 1.487 HG23 :: 1.487 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.723 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.34 R 0.14 G 0.05 C Shift Assignments>> C :: 180.391 CA :: 58.555 CB :: 42.912 CG :: 27.486 CD1 :: 25.162 CD2 :: 23.115 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 :: 8.218 HA :: 3.964 HB2 :: 2.265 HB3 :: 1.021 HG :: 1.629 HD11 :: 0.702 HD12 :: 0.702 HD13 :: 0.702 HD21 :: 0.321 HD22 :: 0.321 HD23 :: 0.321 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 :: 126.091 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.Q116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 Q 0.37 E 0.17 C Shift Assignments>> C :: 177.553 CA :: 59.912 CB :: 28.884 CG :: 34.184 CD :: 179.589 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 :: 8.685 HA :: 4.130 HB2 :: 2.222 HB3 :: 2.145 HG2 :: 2.476 HG3 :: 2.268 HE21 :: 7.383 HE22 :: 6.943 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.008 NE2 :: 112.311 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.R117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 K 0.1 G 0.07 C Shift Assignments>> C :: 178.393 CA :: 58.940 CB :: 30.404 CG :: 26.413 CD :: 43.261 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.714 HA :: 3.963 HB2 :: 1.714 HB3 :: 1.403 HG2 :: 1.023 HG3 :: 0.693 HD2 :: 2.811 HD3 :: 2.628 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 :: 117.420 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) FLAG polypeptide(L) 1.F118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.66 C 0.32 C Shift Assignments>> C :: 176.509 CA :: 60.188 CB :: 40.150 CD1 :: 131.963 CD2 :: 131.963 CE1 :: 130.741 CE2 :: 130.741 CZ :: 128.778 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 :: 8.401 HA :: 4.816 HB2 :: 3.166 HB3 :: 2.874 HD1 :: 7.465 HD2 :: 7.465 HE1 :: 6.885 HE2 :: 6.889 HZ :: 7.079 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 112.839 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.28 C 0.04 L 0.04 HN Overlap>> 1.F20 1.F20 C Shift Assignments>> C :: 175.706 CA :: 53.548 CB :: 20.154 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.544 HA :: 4.669 HB1 :: 0.961 HB2 :: 0.961 HB3 :: 0.961 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.880 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.W120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.46 H 0.01 C Shift Assignments>> C :: 176.149 CA :: 58.312 CB :: 31.340 CD1 :: 126.839 CE3 :: 120.9 CZ2 :: 114.713 CZ3 :: 121.47 CH2 :: 123.877 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 :: 7.993 HA :: 4.790 HB2 :: 3.253 HB3 :: 3.147 HD1 :: 7.183 HE1 :: 10.260 HE3 :: 7.519 HZ2 :: 7.393 HZ3 :: 7.031 HH2 :: 7.003 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 :: 117.341 NE1 :: 129.059 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) FLAG polypeptide(L) 1.G121 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 :: 174.096 CA :: 45.707 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.897 HA2 :: 4.037 HA3 :: 4.027 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.129 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.S122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.500 CA :: 58.082 CB :: 64.181 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.084 HA :: 4.520 HB2 :: 3.845 HB3 :: 3.810 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 :: 114.409 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.S123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.371 CA :: 58.277 CB :: 64.005 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.473 HA :: 4.492 HB2 :: 3.881 HB3 :: 3.837 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 :: 117.632 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.N124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.3 C 0.19 C Shift Assignments>> C :: 175.538 CA :: 53.479 CB :: 38.992 CG :: 177.094 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 :: 8.486 HA :: 4.716 HB2 :: 2.832 HB3 :: 2.712 HD21 :: 7.580 HD22 :: 6.909 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 :: 120.328 ND2 :: 112.846 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.E125 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 0.07 I 0.07 Q 0.04 C Shift Assignments>> C :: 176.522 CA :: 57.260 CB :: 29.983 CG :: 36.257 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 :: 8.516 HA :: 4.237 HB2 :: 2.055 HB3 :: 1.914 HG2 :: 2.233 HG3 :: 2.233 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.392 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.N126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.3 C 0.19 C Shift Assignments>> C :: 175.757 CA :: 53.469 CB :: 38.971 CG :: 177.094 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 :: 8.419 HA :: 4.687 HB2 :: 2.832 HB3 :: 2.807 HD21 :: 7.592 HD22 :: 6.912 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.622 ND2 :: 112.850 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.G127 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 :: 173.905 CA :: 45.471 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.266 HA2 :: 3.923 HA3 :: 3.923 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.671 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.R128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.31 G 0.11 K 0.06 L 0.02 C Shift Assignments>> CA :: 53.781 CB :: 30.276 CG :: 26.833 CD :: 43.423 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 :: 8.214 HA :: 4.592 HB2 :: 1.819 HB3 :: 1.710 HG2 :: 1.622 HG3 :: 1.622 HD2 :: 3.165 HD3 :: 3.165 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 :: 121.419 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.P129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.34 C Shift Assignments>> CA :: 61.536 CB :: 30.804 CG :: 27.248 CD :: 50.450 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 :: 4.575 HB2 :: 2.199 HB3 :: 1.757 HG2 :: 1.941 HG3 :: 1.899 HD2 :: 3.735 HD3 :: 3.518 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.P130 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 :: 176.718 CA :: 62.881 CB :: 31.797 CG :: 27.310 CD :: 50.370 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 :: 4.397 HB2 :: 2.224 HB3 :: 1.888 HG2 :: 1.959 HG3 :: 1.959 HD2 :: 3.692 HD3 :: 3.500 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.L131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.28 R 0.08 G 0.02 A 0.01 C Shift Assignments>> C :: 177.502 CA :: 55.382 CB :: 42.436 CG :: 27.121 CD1 :: 25.033 CD2 :: 23.601 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 :: 8.329 HA :: 4.328 HB2 :: 1.604 HB3 :: 1.586 HG :: 1.594 HD11 :: 0.876 HD12 :: 0.876 HD13 :: 0.876 HD21 :: 0.823 HD22 :: 0.823 HD23 :: 0.823 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 :: 122.215 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.T132 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 :: 174.339 CA :: 61.622 CB :: 69.925 CG2 :: 21.668 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 :: 8.128 HA :: 4.333 HB :: 4.196 HG21 :: 1.165 HG22 :: 1.165 HG23 :: 1.165 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 :: 114.989 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.L133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.27 R 0.08 G 0.02 A 0.01 HN Overlap>> 1.D9 1.D9 C Shift Assignments>> C :: 177.171 CA :: 55.111 CB :: 42.398 CG :: 27.089 CD1 :: 25.033 CD2 :: 23.601 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 :: 8.276 HA :: 4.321 HB2 :: 1.554 HB3 :: 1.544 HG :: 1.567 HD11 :: 0.876 HD12 :: 0.876 HD13 :: 0.876 HD21 :: 0.823 HD22 :: 0.823 HD23 :: 0.823 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 :: 124.394 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.E134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.11 K 0.07 I 0.04 Q 0.04 C Shift Assignments>> C :: 176.134 CA :: 56.810 CB :: 30.390 CG :: 36.233 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 :: 8.347 HA :: 4.172 HB2 :: 1.879 HB3 :: 1.841 HG2 :: 2.187 HG3 :: 2.123 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.371 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.H135 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.H136 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.H137 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.H138 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.H139 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.H140 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 134 #Clerical: 0 #Suspicious: 4 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 134 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 140 #Suspicious: 0 C Shift Results: #Consistent: 612 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 982 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 1 N Shift Results: #Consistent: 138 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: 1.I7 HB = 0.301(S), Expected = 1.80, Std = 0.3100, ChiSquare = 1.3282e-06 1.A49 CB = 25.421(S), Expected = 18.90, Std = 1.8500, ChiSquare = 4.2370e-04 1.A49 H = 10.647(S), Expected = 8.20, Std = 0.6000, ChiSquare = 4.5360e-05 1.L61 H = 12.56(A), Expected = 8.22, Std = 0.6500, ChiSquare = 2.4401e-11 1.I73 HG21 = -0.720(S), Expected = 0.80, Std = 0.2900, ChiSquare = 1.5938e-07 1.I73 HG22 = -0.720(S), Expected = 0.80, Std = 0.2900, ChiSquare = 1.5938e-07 1.I73 HG23 = -0.720(S), Expected = 0.80, Std = 0.2900, ChiSquare = 1.5938e-07 1.E76 CB = 36.835(S), Expected = 30.07, Std = 1.8400, ChiSquare = 2.3634e-04 1.H86 NE2 = 253.92(A), Expected = 179.81, Std = 13.8600, ChiSquare = 8.9403e-08