Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 FLAG polypeptide(L) 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.38 L 0.27 C 0.07 K 0.06 D 0.05 G 0.04 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 170.185 CA :: 43.130 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.909 HA3 :: 3.909 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) FLAG polypeptide(L) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.290 CA :: 58.045 CB :: 63.736 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.565 HB2 :: 3.897 HB3 :: 3.864 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) FLAG polypeptide(L) 1.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.52 N 0.23 C 0.23 HN Overlap>> 1.I125 1.I125 C Shift Assignments>> C :: 176.780 CA :: 54.599 CB :: 40.833 CG :: 177.807 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 :: 8.550 HA :: 4.579 HB2 :: 2.677 HB3 :: 2.641 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.491 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 173.864 CA :: 45.580 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.314 HA2 :: 3.875 HA3 :: 3.875 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.842 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.65 C 0.3 N 0.03 HN Overlap>> 1.L190 1.E224 1.L190 1.E224 C Shift Assignments>> C :: 175.715 CA :: 54.403 CB :: 40.961 CG :: 179.932 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 :: 8.009 HA :: 4.536 HB2 :: 2.630 HB3 :: 2.630 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.935 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.16 C 0.02 C Shift Assignments>> C :: 177.536 CA :: 51.920 CB :: 19.188 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.838 HA :: 4.309 HB1 :: 1.356 HB2 :: 1.356 HB3 :: 1.356 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.033 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.32 R 0.05 G 0.04 C Shift Assignments>> C :: 174.572 CA :: 57.218 CB :: 42.880 CG :: 26.906 CD1 :: 24.383 CD2 :: 23.910 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 :: 3.985 HB2 :: 1.641 HB3 :: 1.511 HG :: 1.718 HD11 :: 0.757 HD12 :: 0.757 HD13 :: 0.757 HD21 :: 0.700 HD22 :: 0.700 HD23 :: 0.700 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.553 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.4 C 0.16 R 0.01 C Shift Assignments>> C :: 174.500 CA :: 53.399 CB :: 44.692 CG :: 26.412 CD1 :: 25.344 CD2 :: 25.558 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 :: 7.080 HA :: 4.441 HB2 :: 1.460 HB3 :: 1.122 HG :: 1.085 HD11 :: 0.276 HD12 :: 0.276 HD13 :: 0.276 HD21 :: 0.120 HD22 :: 0.120 HD23 :: 0.120 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 :: 112.366 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.45 M 0.04 A 0.02 C Shift Assignments>> C :: 172.206 CA :: 52.336 CB :: 33.505 CG :: 24.001 CD :: 29.138 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.230 HA :: 4.707 HB2 :: 1.712 HB3 :: 1.660 HG2 :: 1.358 HG3 :: 1.289 HD2 :: 1.626 HD3 :: 1.626 HE2 :: 3.008 HE3 :: 2.930 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.037 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.33 C Shift Assignments>> C :: 177.604 CA :: 61.675 CB :: 32.484 CG :: 26.889 CD :: 50.072 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 :: 4.155 HB2 :: 1.898 HB3 :: 1.470 HG2 :: 1.973 HG3 :: 1.973 HD2 :: 3.657 HD3 :: 3.575 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.C11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.23 C 0.13 R 0.11 G 0.08 N 0.05 K 0.05 F 0.02 Y 0.01 C Shift Assignments>> C :: 175.643 CA :: 51.792 CB :: 42.786 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.419 HA :: 5.332 HB2 :: 3.280 HB3 :: 2.448 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 115.600 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.21 M 0.02 HN Overlap>> 1.N68 1.N68 C Shift Assignments>> C :: 177.945 CA :: 56.586 CB :: 32.644 CG :: 25.752 CD :: 29.066 CE :: 41.805 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 :: 9.479 HA :: 4.595 HB2 :: 1.873 HB3 :: 1.873 HG2 :: 1.701 HG3 :: 1.455 HD2 :: 1.770 HD3 :: 1.770 HE2 :: 3.072 HE3 :: 3.046 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 :: 123.413 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.36 R 0.03 HN Overlap>> 1.I105 1.I105 C Shift Assignments>> C :: 178.004 CA :: 57.131 CB :: 41.237 CG :: 27.181 CD1 :: 24.911 CD2 :: 24.321 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 :: 9.333 HA :: 3.995 HB2 :: 1.498 HB3 :: 1.498 HG :: 1.487 HD11 :: 0.707 HD12 :: 0.707 HD13 :: 0.707 HD21 :: 0.526 HD22 :: 0.526 HD23 :: 0.526 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 :: 126.563 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 173.407 CA :: 45.018 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.865 HA2 :: 4.356 HA3 :: 3.778 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.988 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.61 C 0.36 HN Overlap>> 1.M184 1.M184 C Shift Assignments>> C :: 176.618 CA :: 52.291 CB :: 40.409 CG :: 181.092 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 :: 7.699 HA :: 4.890 HB2 :: 3.335 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 :: 118.927 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.M16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.45 A 0.07 HN Overlap>> 1.Q81 1.Q81 C Shift Assignments>> C :: 178.782 CA :: 56.209 CB :: 31.004 CG :: 32.341 CE :: 16.530 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 :: 8.626 HA :: 4.483 HB2 :: 2.228 HB3 :: 2.188 HG2 :: 2.908 HG3 :: 2.697 HE1 :: 2.155 HE2 :: 2.155 HE3 :: 2.155 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 :: 126.233 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 Q 0.37 E 0.15 C Shift Assignments>> C :: 178.596 CA :: 59.203 CB :: 27.746 CG :: 34.062 CD :: 180.151 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 :: 8.308 HA :: 4.206 HB2 :: 2.238 HB3 :: 2.238 HG2 :: 2.493 HG3 :: 2.437 HE21 :: 7.568 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 :: 122.314 NE2 :: 112.451 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.C18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.26 C 0.23 Y 0.2 F 0.14 E 0.11 M 0.01 HN Overlap>> 1.K197 1.K197 C Shift Assignments>> C :: 177.002 CA :: 59.964 CB :: 37.519 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.049 HA :: 4.218 HB2 :: 3.066 HB3 :: 2.924 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 121.267 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.35 R 0.09 G 0.01 C Shift Assignments>> C :: 180.549 CA :: 57.713 CB :: 42.028 CG :: 26.887 CD1 :: 23.496 CD2 :: 25.449 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 :: 8.174 HA :: 4.005 HB2 :: 1.635 HB3 :: 1.635 HG :: 1.383 HD11 :: 0.547 HD12 :: 0.547 HD13 :: 0.547 HD21 :: 0.365 HD22 :: 0.365 HD23 :: 0.365 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 :: 121.647 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.438 CA :: 62.646 CB :: 62.615 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.540 HA :: 4.240 HB2 :: 4.152 HB3 :: 4.072 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 :: 117.750 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D43 1.D43 C Shift Assignments>> C :: 176.839 CA :: 61.475 CB :: 62.626 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.718 HA :: 4.459 HB2 :: 4.067 HB3 :: 4.067 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 :: 119.420 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.39 C 0.03 I 0.02 V 0.01 C Shift Assignments>> C :: 180.071 CA :: 55.119 CB :: 18.706 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.205 HA :: 4.140 HB1 :: 1.566 HB2 :: 1.566 HB3 :: 1.566 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.662 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.657 CA :: 68.295 CB :: 68.247 CG2 :: 19.967 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 :: 8.340 HA :: 4.470 HB :: 3.816 HG21 :: 1.236 HG22 :: 1.236 HG23 :: 1.236 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.998 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 C 0.49 HN Overlap>> 1.V206 1.V206 C Shift Assignments>> C :: 179.322 CA :: 59.616 CB :: 29.561 CG :: 35.777 CD :: 183.349 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 :: 7.844 HA :: 4.228 HB2 :: 2.266 HB3 :: 2.266 HG2 :: 2.571 HG3 :: 2.355 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 :: 121.350 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 Q 0.43 E 0.12 HN Overlap>> 1.D174 1.D174 C Shift Assignments>> C :: 177.291 CA :: 58.781 CB :: 28.608 CG :: 33.503 CD :: 179.584 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.871 HA :: 4.179 HB2 :: 2.240 HB3 :: 2.240 HG2 :: 2.518 HG3 :: 2.374 HE21 :: 7.011 HE22 :: 6.649 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.311 NE2 :: 110.611 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.F26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 Y 0.25 C 0.19 C Shift Assignments>> C :: 179.971 CA :: 61.800 CB :: 40.153 CD1 :: 131.408 CD2 :: 131.408 CE1 :: 131.015 CE2 :: 131.015 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 :: 8.749 HA :: 4.361 HB2 :: 3.232 HB3 :: 2.929 HD1 :: 6.916 HD2 :: 6.916 HE1 :: 7.252 HE2 :: 7.252 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 :: 121.608 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 L 0.33 R 0.18 K 0.01 A 0.01 HN Overlap>> 1.A212 1.V124 1.A212 1.V124 C Shift Assignments>> C :: 178.401 CA :: 57.485 CB :: 41.493 CG :: 27.050 CD1 :: 27.546 CD2 :: 22.367 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 :: 9.055 HA :: 3.907 HB2 :: 2.166 HB3 :: 1.469 HG :: 2.071 HD11 :: 0.990 HD12 :: 0.990 HD13 :: 0.990 HD21 :: 0.824 HD22 :: 0.824 HD23 :: 0.824 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.861 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 E 0.47 HN Overlap>> 1.L190 1.D57 1.L190 1.D57 C Shift Assignments>> C :: 179.861 CA :: 59.813 CB :: 28.805 CG :: 35.468 CD :: 182.932 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 :: 7.947 HA :: 4.049 HB2 :: 2.242 HB3 :: 2.242 HG2 :: 2.247 HG3 :: 2.337 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 :: 120.080 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.39 R 0.18 M 0.01 HN Overlap>> 1.T108 1.T108 C Shift Assignments>> C :: 178.830 CA :: 58.305 CB :: 33.111 CG :: 25.611 CD :: 28.888 CE :: 41.874 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 :: 8.139 HA :: 4.137 HB2 :: 1.906 HB3 :: 1.906 HG2 :: 1.721 HG3 :: 1.586 HD2 :: 1.712 HD3 :: 1.712 HE2 :: 3.004 HE3 :: 2.940 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 :: 117.022 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 176.980 CA :: 62.534 CB :: 70.284 CG2 :: 21.338 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 :: 7.794 HA :: 3.958 HB :: 4.009 HG21 :: 0.466 HG22 :: 0.466 HG23 :: 0.466 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 :: 106.005 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.510 CA :: 63.063 CB :: 62.538 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.482 HA :: 3.967 HB2 :: 4.391 HB3 :: 4.391 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 :: 117.422 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.31 R 0.26 M 0.02 HN Overlap>> 1.D174 1.D174 C Shift Assignments>> C :: 177.233 CA :: 55.349 CB :: 31.757 CG :: 24.763 CD :: 28.430 CE :: 41.963 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.938 HA :: 4.628 HB2 :: 2.134 HB3 :: 1.813 HG2 :: 1.573 HG3 :: 1.573 HD2 :: 1.758 HD3 :: 1.758 HE2 :: 3.083 HE3 :: 3.083 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.193 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.27 G 0.12 C 0.08 D 0.04 F 0.03 K 0.03 Y 0.02 C Shift Assignments>> C :: 172.467 CA :: 43.624 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.980 HA2 :: 4.224 HA3 :: 3.316 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.415 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 HN Overlap>> 1.N139 1.S164 1.N139 1.S164 C Shift Assignments>> C :: 174.389 CA :: 59.883 CB :: 40.030 CG1 :: 26.797 CG2 :: 18.516 CD1 :: 14.411 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 :: 8.329 HA :: 4.439 HB :: 1.941 HG12 :: 1.112 HG13 :: 1.112 HG21 :: 0.687 HG22 :: 0.687 HG23 :: 0.687 HD11 :: 0.821 HD12 :: 0.821 HD13 :: 0.821 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 116.722 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.P35 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 :: 179.597 CA :: 65.969 CB :: 31.975 CG :: 27.065 CD :: 50.811 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 :: 4.434 HB2 :: 2.497 HB3 :: 2.043 HG2 :: 2.164 HG3 :: 2.127 HD2 :: 3.928 HD3 :: 3.628 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.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 Q 0.35 E 0.03 C Shift Assignments>> C :: 175.997 CA :: 58.308 CB :: 27.022 CG :: 32.567 CD :: 180.217 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 :: 9.341 HA :: 4.157 HB2 :: 1.903 HB3 :: 1.711 HG2 :: 1.999 HG3 :: 1.774 HE21 :: 7.204 HE22 :: 6.762 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 :: 117.665 NE2 :: 111.572 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.Y37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 174.995 CA :: 53.522 CB :: 39.361 CD1 :: 131.161 CD2 :: 131.161 CE1 :: 117.913 CE2 :: 117.913 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.298 HA :: 5.086 HB2 :: 3.466 HB3 :: 2.523 HD1 :: 6.930 HD2 :: 6.930 HE1 :: 6.817 HE2 :: 6.817 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.819 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.D38 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 D 0.36 E 0.02 HN Overlap>> 1.N177 1.N177 C Shift Assignments>> C :: 173.461 CA :: 55.436 CB :: 40.402 CG :: 181.689(A) 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 :: 8.287 HA :: 4.467 HB2 :: 3.301 HB3 :: 2.510 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.982 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 177.159 CA :: 60.091 CB :: 37.684 CG2 :: 17.471 CD1 :: 13.612 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.325 HA :: 4.212 HB :: 1.798 HG21 :: 0.813 HG22 :: 0.813 HG23 :: 0.813 HD11 :: 0.873 HD12 :: 0.873 HD13 :: 0.873 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 :: 117.609 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.W40 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> W 0.59 C 0.39 C Shift Assignments>> C :: 173.559 CA :: 52.980 CB :: 28.516 CD1 :: 124.107 CE3 :: 120.130 CZ2 :: 113.529 CZ3 :: 121.095 CH2 :: 124.349 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 :: 10.148 HA :: 5.168 HB2 :: 3.323 HB3 :: 3.051 HD1 :: 6.706 HE1 :: 9.845 HE3 :: 7.431 HZ2 :: 7.105 HZ3 :: 6.894 HH2 :: 7.014 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 :: 138.113(A) NE1 :: 128.618 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) FLAG polypeptide(L) 1.P41 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 :: 177.012 CA :: 63.575 CB :: 31.611 CG :: 27.413 CD :: 50.064 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 :: 4.227 HB2 :: 2.205 HB3 :: 1.924 HG2 :: 2.019 HG3 :: 2.019 HD2 :: 4.012 HD3 :: 3.710 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.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.42 A 0.01 C Shift Assignments>> C :: 174.977 CA :: 59.253 CB :: 41.543 CG1 :: 27.337 CG2 :: 19.307 CD1 :: 15.182 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.537 HA :: 4.709 HB :: 1.956 HG12 :: 1.214 HG13 :: 1.214 HG21 :: 0.798 HG22 :: 0.798 HG23 :: 0.798 HD11 :: 0.731 HD12 :: 0.731 HD13 :: 0.731 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 :: 112.932 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.61 C 0.28 G 0.08 HN Overlap>> 1.S21 1.S21 C Shift Assignments>> CA :: 52.662 CB :: 42.567 CG :: 180.321 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 :: 7.751 HA :: 4.864 HB2 :: 2.937 HB3 :: 2.369 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 :: 119.341 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.61 C 0.37 C Shift Assignments>> C :: 174.752 CA :: 63.287 CB :: 34.170 CG :: 25.518 CD :: 50.339 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 :: 4.930 HB2 :: 2.267 HB3 :: 1.815 HG2 :: 2.017 HG3 :: 1.871 HD2 :: 3.645 HD3 :: 3.595 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.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 L 0.27 R 0.22 G 0.21 C Shift Assignments>> C :: 174.882 CA :: 53.868 CB :: 43.786 CG :: 27.638 CD1 :: 25.347 CD2 :: 27.533 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 :: 8.833 HA :: 4.472 HB2 :: 1.637 HB3 :: 1.637 HG :: 1.501 HD11 :: 1.095 HD12 :: 1.095 HD13 :: 1.095 HD21 :: 0.890 HD22 :: 0.890 HD23 :: 0.890 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 :: 125.478 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 176.328 CA :: 60.258 CB :: 33.184 CG1 :: 20.331 CG2 :: 20.703 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 :: 8.260 HA :: 5.176 HB :: 1.792 HG11 :: 0.703 HG12 :: 0.703 HG13 :: 0.703 HG21 :: 0.827 HG22 :: 0.827 HG23 :: 0.827 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.116 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 175.737 CA :: 60.630 CB :: 33.468 CG1 :: 21.144 CG2 :: 20.385 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 :: 8.764 HA :: 4.227 HB :: 1.847 HG11 :: 0.790 HG12 :: 0.790 HG13 :: 0.790 HG21 :: 0.717 HG22 :: 0.717 HG23 :: 0.717 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 129.541 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.V89 1.V89 C Shift Assignments>> C :: 175.728 CA :: 66.908 CB :: 68.245 CG2 :: 22.130 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 :: 8.721 HA :: 3.811 HB :: 4.135 HG21 :: 1.259 HG22 :: 1.259 HG23 :: 1.259 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 122.232 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.935 CA :: 57.328 CB :: 64.646 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.425 HA :: 5.103 HB2 :: 3.854 HB3 :: 3.721 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.416 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 G 0.38 L 0.21 C Shift Assignments>> C :: 173.180 CA :: 55.672 CB :: 46.275 CG :: 27.206 CD1 :: 24.601 CD2 :: 26.466 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 :: 8.215 HA :: 4.446 HB2 :: 1.553 HB3 :: 1.437 HG :: 1.476 HD11 :: 0.882 HD12 :: 0.882 HD13 :: 0.882 HD21 :: 0.604 HD22 :: 0.604 HD23 :: 0.604 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 :: 125.956 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.D51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.66 C 0.21 G 0.06 N 0.05 C Shift Assignments>> C :: 175.322 CA :: 52.964 CB :: 42.598 CG :: 178.886 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.602 HA :: 5.697(S) HB2 :: 2.515 HB3 :: 2.336 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 126.928 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.39 C Shift Assignments>> C :: 173.255 CA :: 61.170 CB :: 34.668 CG1 :: 21.120 CG2 :: 20.513 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 :: 9.532 HA :: 4.239 HB :: 1.972 HG11 :: 0.919 HG12 :: 0.919 HG13 :: 0.919 HG21 :: 0.744 HG22 :: 0.744 HG23 :: 0.744 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.560 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 175.963 CA :: 60.093 CB :: 38.589 CG1 :: 28.017 CG2 :: 17.736 CD1 :: 13.027 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.442 HA :: 4.505 HB :: 1.780 HG12 :: 1.538 HG13 :: 1.197 HG21 :: 0.992 HG22 :: 0.992 HG23 :: 0.992 HD11 :: 0.882 HD12 :: 0.882 HD13 :: 0.882 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 :: 127.800 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.11 C 0.01 C Shift Assignments>> C :: 176.320 CA :: 50.675 CB :: 18.226 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.259 HA :: 4.523 HB1 :: 1.483 HB2 :: 1.483 HB3 :: 1.483 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.389 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.P55 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 :: 177.199 CA :: 63.863 CB :: 31.586 CG :: 27.484 CD :: 50.677 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 :: 4.417 HB2 :: 2.321 HB3 :: 2.039 HG2 :: 2.122 HG3 :: 2.122 HD2 :: 3.856 HD3 :: 3.856 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.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.396 CA :: 58.470 CB :: 63.368 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.970 HA :: 4.382 HB2 :: 3.981 HB3 :: 3.878 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.865 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.5 N 0.25 C 0.23 HN Overlap>> 1.E28 1.E28 C Shift Assignments>> C :: 174.774 CA :: 54.690 CB :: 40.569 CG :: 177.767 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 :: 7.892 HA :: 4.508 HB2 :: 2.709 HB3 :: 2.611 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.096 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.26 C 0.02 C Shift Assignments>> C :: 177.576 CA :: 52.978 CB :: 18.659 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.077 HA :: 4.237 HB1 :: 1.391 HB2 :: 1.391 HB3 :: 1.391 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.579 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 174.099 CA :: 45.818 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.361 HA2 :: 4.069 HA3 :: 3.798 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.471 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.32 HN Overlap>> 1.T119 1.T119 C Shift Assignments>> C :: 173.851 CA :: 60.433 CB :: 39.707 CG1 :: 26.978 CG2 :: 16.774 CD1 :: 13.681 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.768 HA :: 4.987 HB :: 1.830 HG12 :: 1.509 HG13 :: 0.973 HG21 :: 0.751 HG22 :: 0.751 HG23 :: 0.751 HD11 :: 0.757 HD12 :: 0.757 HD13 :: 0.757 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.622 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 V 0.12 I 0.03 C Shift Assignments>> C :: 173.564 CA :: 61.154 CB :: 34.748 CG1 :: 21.173 CG2 :: 16.672 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 :: 8.723 HA :: 4.502 HB :: 1.913 HG11 :: 0.886 HG12 :: 0.886 HG13 :: 0.886 HG21 :: 0.741 HG22 :: 0.741 HG23 :: 0.741 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 :: 127.068 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.44 A 0.01 C Shift Assignments>> C :: 173.873 CA :: 59.029 CB :: 38.687 CG1 :: 28.350 CG2 :: 18.742 CD1 :: 13.756 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 :: 8.961 HA :: 4.568 HB :: 1.746 HG12 :: 1.301 HG13 :: 1.059 HG21 :: 0.027 HG22 :: 0.027 HG23 :: 0.027 HD11 :: 0.718 HD12 :: 0.718 HD13 :: 0.718 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 :: 127.066 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.R63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.3 K 0.14 G 0.06 C Shift Assignments>> C :: 175.261 CA :: 53.983 CB :: 30.784 CG :: 27.386 CD :: 43.044 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 :: 9.114 HA :: 5.095 HB2 :: 1.679 HB3 :: 1.679 HG2 :: 1.449 HG3 :: 1.338 HD2 :: 3.029 HD3 :: 2.873 HE :: 7.635 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 :: 125.480 NE :: 86.477 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.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 C 0.35 C Shift Assignments>> C :: 176.898 CA :: 56.342 CB :: 41.533 CD1 :: 131.175 CD2 :: 131.175 CE1 :: 130.336 CE2 :: 130.336 CZ :: 128.027 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 :: 9.240 HA :: 5.523 HB2 :: 3.085 HB3 :: 2.713 HD1 :: 6.948 HD2 :: 6.948 HE1 :: 6.266 HE2 :: 6.266 HZ :: 6.118 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 :: 121.473 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.3 R 0.17 HN Overlap>> 1.D166 1.D166 C Shift Assignments>> C :: 174.413 CA :: 54.250 CB :: 36.659 CG :: 24.890 CD :: 28.897 CE :: 41.732 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 :: 8.934 HA :: 5.018 HB2 :: 1.855 HB3 :: 1.694 HG2 :: 1.390 HG3 :: 1.390 HD2 :: 1.669 HD3 :: 1.669 HE2 :: 2.891 HE3 :: 2.834 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.144 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 N 0.34 D 0.11 E 0.07 Q 0.01 HN Overlap>> 1.Q76 1.Q76 C Shift Assignments>> C :: 175.047 CA :: 53.866 CB :: 36.817 CG :: 178.397 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 :: 8.611 HA :: 4.119 HB2 :: 3.009 HB3 :: 2.850 HD21 :: 7.919 HD22 :: 6.827 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 :: 117.888 ND2 :: 115.210 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.23 G 0.17 R 0.08 A 0.01 C Shift Assignments>> C :: 175.904 CA :: 54.727 CB :: 43.855 CG :: 26.760 CD1 :: 23.803 CD2 :: 25.934 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 :: 8.111 HA :: 4.742 HB2 :: 1.805 HB3 :: 1.127 HG :: 1.375 HD11 :: 0.450 HD12 :: 0.450 HD13 :: 0.450 HD21 :: 0.407 HD22 :: 0.407 HD23 :: 0.407 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 :: 117.598 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.43 N 0.37 C 0.18 HN Overlap>> 1.K12 1.K12 C Shift Assignments>> C :: 174.880 CA :: 52.594 CB :: 41.563 CG :: 176.226 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 :: 9.529 HA :: 5.273 HB2 :: 2.736 HB3 :: 2.606 HD21 :: 7.043 HD22 :: 6.592 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 123.331 ND2 :: 110.509 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 I 0.2 V 0.04 C Shift Assignments>> C :: 176.512 CA :: 60.807 CB :: 41.165 CG1 :: 29.765 CG2 :: 20.285 CD1 :: 16.514 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 :: 9.540 HA :: 5.250 HB :: 1.918 HG12 :: 1.404 HG13 :: 0.910 HG21 :: 0.907 HG22 :: 0.907 HG23 :: 0.907 HD11 :: 0.711 HD12 :: 0.711 HD13 :: 0.711 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 :: 126.656 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.T70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.73 C 0.26 C Shift Assignments>> C :: 173.362 CA :: 59.515 CB :: 71.416 CG2 :: 22.258 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 :: 9.453 HA :: 5.200 HB :: 4.369 HG21 :: 1.323 HG22 :: 1.323 HG23 :: 1.323 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 :: 121.828 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.G71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.69 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 177.495 CA :: 45.031 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.646 HA2 :: 5.342(S) HA3 :: 3.780 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.130 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.37 R 0.04 A 0.01 C Shift Assignments>> C :: 180.009 CA :: 57.474 CB :: 41.328 CG :: 26.771 CD1 :: 25.409 CD2 :: 22.434 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 :: 9.074 HA :: 3.882 HB2 :: 1.975 HB3 :: 1.019 HG :: 1.660 HD11 :: 0.894 HD12 :: 0.894 HD13 :: 0.894 HD21 :: 0.456 HD22 :: 0.456 HD23 :: 0.456 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 :: 122.154 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.K73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.38 K 0.36 R 0.18 M 0.05 C Shift Assignments>> C :: 174.801 CA :: 58.510 CB :: 31.461 CG :: 23.680 CD :: 29.499 CE :: 41.749 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 10.482(S) HA :: 4.172 HB2 :: 1.888 HB3 :: 1.594 HG2 :: 1.584 HG3 :: 1.165 HD2 :: 1.647 HD3 :: 1.647 HE2 :: 3.002 HE3 :: 2.957 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 :: 120.845 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.29 C 0.14 C Shift Assignments>> C :: 174.889 CA :: 52.054 CB :: 39.261 CG :: 177.070 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 :: 7.510 HA :: 5.106 HB2 :: 3.217 HB3 :: 2.670 HD21 :: 7.702 HD22 :: 6.903 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.416 ND2 :: 112.679 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.Q75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 Q 0.2 E 0.15 N 0.02 C Shift Assignments>> C :: 173.411 CA :: 56.396 CB :: 32.210 CG :: 34.963 CD :: 178.525 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 :: 6.918 HA :: 4.710 HB2 :: 2.011 HB3 :: 1.863 HG2 :: 2.226 HG3 :: 2.226 HE22 :: 7.883 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.053 NE2 :: 104.811 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.Q76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 Q 0.3 E 0.11 HN Overlap>> 1.N66 1.N66 C Shift Assignments>> C :: 176.168 CA :: 52.930 CB :: 32.150 CG :: 33.782 CD :: 180.512 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 :: 8.650 HA :: 4.824 HB2 :: 2.135 HB3 :: 1.858 HG2 :: 2.445 HG3 :: 2.445 HE21 :: 7.505 HE22 :: 6.859 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 :: 117.970 NE2 :: 113.088 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 175.651 CA :: 62.259 CB :: 37.310 CG1 :: 27.642 CG2 :: 17.579 CD1 :: 11.601 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 :: 9.347 HA :: 4.076 HB :: 1.944 HG12 :: 1.629 HG13 :: 1.226 HG21 :: 0.877 HG22 :: 0.877 HG23 :: 0.877 HD11 :: 0.814 HD12 :: 0.814 HD13 :: 0.814 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 :: 123.242 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 0.99 HN Overlap>> 1.A120 1.A120 C Shift Assignments>> C :: 174.387 CA :: 58.879 CB :: 64.213 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.219 HA :: 4.622 HB2 :: 3.628 HB3 :: 3.539 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 :: 125.054 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.D79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 D 0.3 C 0.25 N 0.01 C Shift Assignments>> C :: 173.380 CA :: 54.193 CB :: 44.044 CG :: 178.599 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 :: 8.054 HA :: 4.779 HB2 :: 2.692 HB3 :: 2.228 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.405 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.F80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.32 C 0.24 C Shift Assignments>> C :: 173.208 CA :: 57.132 CB :: 42.003 CD1 :: 131.631 CD2 :: 131.631 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 :: 8.378 HA :: 5.359 HB2 :: 3.021 HB3 :: 2.735 HD1 :: 7.175 HD2 :: 7.175 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 :: 123.872 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.Q81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 Q 0.39 E 0.04 HN Overlap>> 1.M16 1.M16 C Shift Assignments>> C :: 173.079 CA :: 53.618 CB :: 31.203 CG :: 32.491 CD :: 179.859 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 :: 8.627 HA :: 4.290 HB2 :: 1.877 HB3 :: 1.617 HG2 :: 2.162 HG3 :: 2.162 HE21 :: 8.061 HE22 :: 6.587 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 :: 126.215 NE2 :: 113.425 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.M82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.36 A 0.33 C 0.29 C Shift Assignments>> C :: 172.958 CA :: 54.102 CB :: 35.164 CG :: 31.864 CE :: 17.575 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 :: 8.462 HA :: 4.809 HB2 :: 2.154 HB3 :: 1.256 HG2 :: 1.936 HG3 :: 1.758 HE1 :: 1.402 HE2 :: 1.402 HE3 :: 1.402 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 :: 126.799 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.69 C 0.27 G 0.01 N 0.01 C Shift Assignments>> C :: 177.706 CA :: 51.940 CB :: 41.569 CG :: 180.499 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 :: 8.567 HA :: 4.864 HB2 :: 3.111 HB3 :: 2.325 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 127.835 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.T84 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 :: 175.536 CA :: 62.393 CB :: 68.346 CG2 :: 21.871 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 :: 8.534 HA :: 4.642 HB :: 4.505 HG21 :: 1.220 HG22 :: 1.220 HG23 :: 1.220 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 :: 114.935 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.21 M 0.02 C Shift Assignments>> C :: 177.349 CA :: 57.856 CB :: 32.046 CG :: 24.713 CD :: 28.628 CE :: 41.699 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 :: 8.399 HA :: 4.336 HB2 :: 1.929 HB3 :: 1.929 HG2 :: 1.472 HG3 :: 1.375 HD2 :: 1.689 HD3 :: 1.689 HE2 :: 2.975 HE3 :: 2.975 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 :: 123.714 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.17 C 0.02 C Shift Assignments>> C :: 176.646 CA :: 52.172 CB :: 19.168 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.891 HA :: 4.041 HB1 :: 1.215 HB2 :: 1.215 HB3 :: 1.215 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.799 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.K87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.34 C 0.34 K 0.17 L 0.12 C Shift Assignments>> C :: 174.891 CA :: 57.165 CB :: 29.154 CG :: 24.729 CD :: 27.138 CE :: 41.960 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.720 HA :: 3.479 HB2 :: 1.619 HB3 :: 1.524 HG2 :: 1.072 HG3 :: 0.912 HD2 :: 1.874 HD3 :: 0.561(S) HE2 :: 3.098 HE3 :: 3.067 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 :: 114.298 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.T88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.72 C 0.26 A 0.01 C Shift Assignments>> C :: 172.722 CA :: 59.449 CB :: 72.131 CG2 :: 21.016 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 :: 7.776 HA :: 4.915 HB :: 4.002 HG21 :: 0.916 HG22 :: 0.916 HG23 :: 0.916 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 :: 108.214 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.V89 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.55 C 0.44 HN Overlap>> 1.T48 1.T48 C Shift Assignments>> C :: 173.884 CA :: 61.230 CB :: 35.218 CG1 :: 22.277 CG2 :: 21.936 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 :: 8.758 HA :: 4.232 HB :: 0.797(S) HG11 :: 0.648 HG12 :: 0.648 HG13 :: 0.648 HG21 :: 0.478 HG22 :: 0.478 HG23 :: 0.478 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.288 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 G 0.28 C 0.2 R 0.05 A 0.01 C Shift Assignments>> C :: 173.320 CA :: 53.702 CB :: 44.355 CG :: 27.748 CD1 :: 25.027 CD2 :: 23.725 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 :: 8.147 HA :: 4.878 HB2 :: 1.466 HB3 :: 1.326 HG :: 1.260 HD11 :: 0.677 HD12 :: 0.677 HD13 :: 0.677 HD21 :: 0.685 HD22 :: 0.685 HD23 :: 0.685 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.626 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.25 C 0.14 A 0.01 C Shift Assignments>> C :: 173.314 CA :: 53.763 CB :: 45.229 CD1 :: 23.835 CD2 :: 25.383 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 :: 8.989 HA :: 5.102 HB2 :: 1.939 HB3 :: 1.404 HD11 :: 1.089 HD12 :: 1.089 HD13 :: 1.089 HD21 :: 0.855 HD22 :: 0.855 HD23 :: 0.855 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 :: 127.999 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.K92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.42 C 0.41 R 0.13 M 0.02 HN Overlap>> 1.A95 1.A95 C Shift Assignments>> C :: 176.683 CA :: 54.295 CB :: 35.290 CG :: 25.018 CD :: 29.399 CE :: 41.464 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 :: 8.976 HA :: 5.883(S) HB2 :: 1.640 HB3 :: 1.640 HG2 :: 1.262 HG3 :: 1.210 HD2 :: 1.576 HD3 :: 1.576 HE2 :: 2.739 HE3 :: 2.681 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.105 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.T93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.55 C 0.39 A 0.04 C Shift Assignments>> C :: 170.519 CA :: 58.196 CB :: 72.134 CG2 :: 21.401 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 :: 9.049 HA :: 5.519 HB :: 4.295 HG21 :: 1.218 HG22 :: 1.218 HG23 :: 1.218 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.323 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.32 R 0.12 M 0.02 A 0.01 C Shift Assignments>> C :: 175.680 CA :: 53.536 CB :: 36.207 CG :: 24.459 CD :: 29.615 CE :: 41.613 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 :: 8.866 HA :: 5.677 HB2 :: 1.750 HB3 :: 1.685 HG2 :: 1.447 HG3 :: 1.343 HE2 :: 2.891 HE3 :: 2.891 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.876 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.46 L 0.25 C 0.14 M 0.11 K 0.01 HN Overlap>> 1.K92 1.K92 C Shift Assignments>> C :: 174.307 CA :: 50.872 CB :: 22.257 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.985 HA :: 4.752 HB1 :: 1.130 HB2 :: 1.130 HB3 :: 1.130 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.175 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.66 C 0.3 N 0.02 HN Overlap>> 1.K135 1.K135 C Shift Assignments>> C :: 175.067 CA :: 53.666 CB :: 40.882 CG :: 180.367 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 :: 8.870 HA :: 5.177 HB2 :: 2.650 HB3 :: 2.575 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.650 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.37 L 0.36 C 0.15 A 0.1 R 0.01 C Shift Assignments>> C :: 175.831 CA :: 53.324 CB :: 44.609 CG :: 26.352 CD1 :: 25.063 CD2 :: 22.382 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 :: 8.967 HA :: 5.271 HB2 :: 1.724 HB3 :: 1.146 HG :: 1.676 HD11 :: 0.757 HD12 :: 0.757 HD13 :: 0.757 HD21 :: 0.572 HD22 :: 0.572 HD23 :: 0.572 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 :: 122.619 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.H98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.41 W 0.33 C 0.25 C Shift Assignments>> C :: 173.443 CA :: 54.899 CB :: 29.550 CD2 :: 119.752 CE1 :: 135.818 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.741 HA :: 5.535 HB2 :: 3.507 HB3 :: 2.957 HD2 :: 7.298 HE1 :: 8.427 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 :: 121.731 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.I99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.38 C Shift Assignments>> C :: 173.724 CA :: 60.307 CB :: 41.536 CG1 :: 27.845 CG2 :: 18.655 CD1 :: 13.934 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 :: 9.138 HA :: 4.622 HB :: 1.750 HG21 :: 0.788 HG22 :: 0.788 HG23 :: 0.788 HD11 :: 0.757 HD12 :: 0.757 HD13 :: 0.757 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 :: 128.649 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.38 HN Overlap>> 1.A193 1.A193 C Shift Assignments>> C :: 175.498 CA :: 59.847 CB :: 35.585 CG1 :: 20.507 CG2 :: 21.273 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 :: 8.467 HA :: 5.488 HB :: 2.056 HG11 :: 1.064 HG12 :: 1.064 HG13 :: 1.064 HG21 :: 0.990 HG22 :: 0.990 HG23 :: 0.990 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 :: 124.379 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.G101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 170.832 CA :: 46.198 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.172 HA2 :: 4.635 HA3 :: 3.973 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.858 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.43 C 0.35 N 0.18 G 0.01 C Shift Assignments>> C :: 175.005 CA :: 55.073 CB :: 42.027 CG :: 175.970 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 :: 8.139 HA :: 5.124 HB2 :: 2.766 HB3 :: 2.766 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.744 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.I103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 I 0.25 G 0.05 A 0.01 C Shift Assignments>> C :: 172.909 CA :: 58.576 CB :: 42.597 CG1 :: 28.091 CG2 :: 16.270 CD1 :: 15.615 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 :: 8.718 HA :: 5.263 HB :: 1.427 HG12 :: 0.606 HG13 :: 0.813 HG21 :: 0.618 HG22 :: 0.618 HG23 :: 0.618 HD11 :: 0.440 HD12 :: 0.440 HD13 :: 0.440 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 :: 118.987 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 HN Overlap>> 1.Q142 1.Q142 C Shift Assignments>> C :: 174.829 CA :: 60.877 CB :: 34.862 CG1 :: 20.708 CG2 :: 20.708 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 :: 8.646 HA :: 4.776 HB :: 1.884 HG11 :: 0.916 HG12 :: 0.916 HG13 :: 0.916 HG21 :: 0.838 HG22 :: 0.838 HG23 :: 0.838 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 :: 127.435 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.I105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 HN Overlap>> 1.L13 1.L13 C Shift Assignments>> C :: 174.045 CA :: 60.224 CB :: 39.960 CG2 :: 16.694 CD1 :: 14.910 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 :: 9.309 HA :: 4.514 HB :: 1.850 HG12 :: 1.547 HG13 :: 1.547 HG21 :: 0.752 HG22 :: 0.752 HG23 :: 0.752 HD11 :: 0.795 HD12 :: 0.795 HD13 :: 0.795 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 :: 126.462 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 E 0.48 C Shift Assignments>> C :: 174.579 CA :: 54.844 CB :: 31.528 CG :: 35.942 CD :: 182.912 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 :: 9.409 HA :: 4.827 HB2 :: 2.217 HB3 :: 1.927 HG2 :: 2.072 HG3 :: 1.926 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.595 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.35 A 0.01 C Shift Assignments>> C :: 178.088 CA :: 53.057 CB :: 39.828 CG :: 27.622 CD1 :: 25.684 CD2 :: 24.484 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 :: 8.452 HA :: 5.083 HB2 :: 1.784 HB3 :: 1.719 HG :: 1.669 HD11 :: 0.945 HD12 :: 0.945 HD13 :: 0.945 HD21 :: 0.877 HD22 :: 0.877 HD23 :: 0.877 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 :: 125.732 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.T108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.K29 1.K29 C Shift Assignments>> C :: 177.472 CA :: 65.855 CB :: 68.419 CG2 :: 21.749 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 :: 8.101 HA :: 3.953 HB :: 4.124 HG21 :: 1.219 HG22 :: 1.219 HG23 :: 1.219 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.992 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 E 0.49 C Shift Assignments>> C :: 177.245 CA :: 58.241 CB :: 29.060 CG :: 36.195 CD :: 183.138 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 :: 9.021 HA :: 4.190 HB2 :: 2.140 HB3 :: 2.036 HG2 :: 2.369 HG3 :: 2.264 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 :: 121.341 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.Q110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.45 C 0.38 E 0.15 C Shift Assignments>> C :: 174.663 CA :: 55.242 CB :: 29.968 CG :: 33.971 CD :: 179.473 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.410 HA :: 4.444 HB2 :: 2.354 HB3 :: 1.745 HG2 :: 2.351 HG3 :: 2.351 HE21 :: 7.580 HE22 :: 6.983 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 :: 114.613 NE2 :: 112.603 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.366 CA :: 58.271 CB :: 61.303 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.800 HA :: 3.991 HB2 :: 4.046 HB3 :: 3.901 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.100 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.23 R 0.2 M 0.01 G 0.01 C Shift Assignments>> C :: 174.688 CA :: 54.407 CB :: 36.924 CG :: 24.652 CD :: 29.592 CE :: 41.807 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.214 HA :: 4.561 HB2 :: 1.493 HB3 :: 1.437 HG2 :: 1.312 HG3 :: 1.230 HD2 :: 1.768 HD3 :: 1.603 HE2 :: 2.962 HE3 :: 2.962 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.963 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 172.212 CA :: 56.500 CB :: 65.394 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.881 HA :: 5.331 HB2 :: 3.532 HB3 :: 3.478 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 :: 115.945 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.F114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.3 G 0.06 C Shift Assignments>> C :: 174.480 CA :: 55.818 CB :: 42.821 CD1 :: 131.891 CD2 :: 131.891 CE1 :: 130.610 CE2 :: 130.610 CZ :: 129.206 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 :: 8.879 HA :: 4.988 HB2 :: 3.112 HB3 :: 2.525 HD1 :: 7.106 HD2 :: 7.106 HE1 :: 7.150 HE2 :: 7.150 HZ :: 7.177 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 :: 121.645 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.T115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.16 C Shift Assignments>> C :: 173.264 CA :: 59.745 CB :: 71.371 CG2 :: 20.919 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 :: 8.581 HA :: 5.501 HB :: 4.197 HG21 :: 1.204 HG22 :: 1.204 HG23 :: 1.204 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 :: 114.713 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.G116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> C :: 170.545 CA :: 46.615 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.355 HA2 :: 4.224 HA3 :: 4.016 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.352 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.32 C 0.23 C Shift Assignments>> C :: 174.624 CA :: 54.008 CB :: 46.005 CG :: 27.167 CD1 :: 24.946 CD2 :: 24.229 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 :: 8.778 HA :: 5.142 HB2 :: 1.797 HB3 :: 1.560 HG :: 1.664 HD11 :: 0.895 HD12 :: 0.895 HD13 :: 0.895 HD21 :: 0.954 HD22 :: 0.954 HD23 :: 0.954 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 :: 127.462 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.Y118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.36 G 0.04 C Shift Assignments>> C :: 172.692 CA :: 56.521 CB :: 42.627 CD1 :: 132.850 CD2 :: 132.850 CE1 :: 118.079 CE2 :: 118.079 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.165 HA :: 4.954 HB2 :: 2.890 HB3 :: 2.723 HD1 :: 6.734 HD2 :: 6.734 HE1 :: 6.375 HE2 :: 6.375 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 :: 127.437 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.T119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 HN Overlap>> 1.I60 1.I60 C Shift Assignments>> C :: 172.082 CA :: 60.446 CB :: 70.939 CG2 :: 20.762 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 :: 7.769 HA :: 5.291 HB :: 3.911 HG21 :: 1.076 HG22 :: 1.076 HG23 :: 1.076 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 :: 121.698 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.A120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.25 A 0.1 P 0.09 K 0.07 M 0.05 R 0.01 HN Overlap>> 1.S78 1.S78 C Shift Assignments>> C :: 174.890 CA :: 50.330 CB :: 23.676 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.156 HA :: 5.217 HB1 :: 0.974 HB2 :: 0.974 HB3 :: 0.974 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.084 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.D121 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.74 C 0.18 D 0.06 C Shift Assignments>> C :: 175.528 CA :: 53.535 CB :: 44.632 CG :: 180.899 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 :: 8.220 HA :: 5.937(S) HB2 :: 2.734 HB3 :: 2.466 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.203 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.T122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.17 C Shift Assignments>> C :: 170.224 CA :: 60.325 CB :: 69.500 CG2 :: 18.784 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 :: 8.553 HA :: 4.737 HB :: 3.919 HG21 :: 1.001 HG22 :: 1.001 HG23 :: 1.001 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.662 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.N123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.4 C 0.14 C Shift Assignments>> C :: 173.822 CA :: 52.571 CB :: 40.719 CG :: 176.592 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 :: 8.304 HA :: 5.622 HB2 :: 2.665 HB3 :: 2.604 HD21 :: 7.670 HD22 :: 6.285 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 124.762 ND2 :: 111.643 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.V124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 V 0.42 HN Overlap>> 1.L27 1.A212 1.L27 1.A212 C Shift Assignments>> C :: 174.966 CA :: 59.546 CB :: 35.210 CG1 :: 21.155 CG2 :: 21.155 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 :: 8.958 HA :: 4.850 HB :: 2.132 HG11 :: 1.002 HG12 :: 1.002 HG13 :: 1.002 HG21 :: 1.002 HG22 :: 1.002 HG23 :: 1.002 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 :: 120.880 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.I125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 HN Overlap>> 1.D3 1.D3 C Shift Assignments>> C :: 175.346 CA :: 60.886 CB :: 39.094 CG1 :: 26.981 CG2 :: 16.777 CD1 :: 12.871 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 :: 8.501 HA :: 5.122 HB :: 1.588 HG12 :: 1.703 HG13 :: 1.703 HG21 :: 0.707 HG22 :: 0.707 HG23 :: 0.707 HD11 :: 0.844 HD12 :: 0.844 HD13 :: 0.844 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.420 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.G126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.27 G 0.09 C 0.08 D 0.04 F 0.04 K 0.04 Y 0.02 C Shift Assignments>> C :: 170.033 CA :: 43.492 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.761 HA2 :: 4.418 HA3 :: 2.994 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.010 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.A127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 C 0.19 L 0.17 M 0.07 G 0.04 K 0.01 C Shift Assignments>> C :: 175.858 CA :: 49.509 CB :: 22.364 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.790 HA :: 5.461 HB1 :: 1.130 HB2 :: 1.130 HB3 :: 1.130 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.718 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.V128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 V 0.11 I 0.07 A 0.02 C Shift Assignments>> C :: 173.469 CA :: 58.564 CB :: 35.734 CG1 :: 23.470 CG2 :: 19.546 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 :: 9.348 HA :: 5.476 HB :: 2.131 HG11 :: 1.281 HG12 :: 1.281 HG13 :: 1.281 HG21 :: 1.234 HG22 :: 1.234 HG23 :: 1.234 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 :: 115.657 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.R129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.29 R 0.19 G 0.09 C Shift Assignments>> C :: 175.762 CA :: 53.545 CB :: 33.750 CG :: 28.407 CD :: 43.097 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 :: 8.210 HA :: 5.492 HB2 :: 1.713 HB3 :: 1.513 HG2 :: 1.540 HG3 :: 1.479 HD2 :: 3.035 HD3 :: 3.007 HE :: 7.222 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 :: 121.767 NE :: 85.480 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.Y130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 Y 0.47 HN Overlap>> 1.N177 1.N177 C Shift Assignments>> C :: 173.786 CA :: 55.796 CB :: 39.707 CD1 :: 134.163 CD2 :: 134.163 CE1 :: 116.151 CE2 :: 116.151 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 :: 8.278 HA :: 4.868 HB2 :: 3.149 HB3 :: 2.930 HD1 :: 6.736 HD2 :: 6.736 HE1 :: 6.371 HE2 :: 6.371 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.152 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.G131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.27 K 0.07 C 0.07 D 0.06 F 0.05 G 0.04 Y 0.03 I 0.01 C Shift Assignments>> C :: 173.009 CA :: 43.039 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.661 HA2 :: 5.164 HA3 :: 3.750 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.138 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.Y132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.37 G 0.01 C Shift Assignments>> C :: 172.693 CA :: 55.878 CB :: 41.898 CD1 :: 133.131 CD2 :: 133.131 CE1 :: 117.287 CE2 :: 117.287 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.725 HA :: 5.855 HB2 :: 3.111 HB3 :: 2.679 HD1 :: 6.604 HD2 :: 6.604 HE1 :: 6.443 HE2 :: 6.443 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 :: 113.288 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.N133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 N 0.34 C 0.2 G 0.04 C Shift Assignments>> C :: 174.063 CA :: 51.223 CB :: 42.053 CG :: 175.980 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 :: 8.550 HA :: 5.050 HB2 :: 2.789 HB3 :: 2.751 HD21 :: 7.724 HD22 :: 7.033 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 :: 114.512 ND2 :: 113.769 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.L134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.22 G 0.09 R 0.07 A 0.01 C Shift Assignments>> C :: 175.499 CA :: 54.010 CB :: 43.313 CG :: 27.206 CD1 :: 24.941 CD2 :: 23.863 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 :: 8.801 HA :: 5.159 HB2 :: 1.656 HB3 :: 1.263 HG :: 1.468 HD11 :: 0.749 HD12 :: 0.749 HD13 :: 0.749 HD21 :: 0.329 HD22 :: 0.329 HD23 :: 0.329 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.952 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.K135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 K 0.32 M 0.01 A 0.01 HN Overlap>> 1.D96 1.D96 C Shift Assignments>> C :: 175.105 CA :: 54.406 CB :: 36.142 CG :: 24.140 CD :: 28.791 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 :: 8.815 HA :: 4.660 HB2 :: 1.744 HB3 :: 1.642 HG2 :: 1.338 HG3 :: 1.338 HD2 :: 1.642 HD3 :: 1.642 HE2 :: 2.936 HE3 :: 2.936 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 :: 123.558 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.N136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 C 0.19 D 0.17 C Shift Assignments>> C :: 176.103 CA :: 52.155 CB :: 39.330 CG :: 175.414 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 :: 8.892 HA :: 5.315 HB2 :: 2.741 HB3 :: 2.587 HD21 :: 7.346 HD22 :: 6.658 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 124.474 ND2 :: 110.131 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.D137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.72 C 0.21 N 0.05 C Shift Assignments>> C :: 177.745 CA :: 52.311 CB :: 41.450 CG :: 179.673 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 :: 8.570 HA :: 4.795 HB2 :: 3.433 HB3 :: 2.781 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.696 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.D138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.48 C 0.46 N 0.02 E 0.02 C Shift Assignments>> C :: 176.517 CA :: 56.434 CB :: 40.148 CG :: 179.813 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 :: 8.482 HA :: 4.439 HB2 :: 2.771 HB3 :: 2.603 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.624 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.N139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.33 C 0.15 HN Overlap>> 1.I34 1.I34 C Shift Assignments>> C :: 175.322 CA :: 52.559 CB :: 39.316 CG :: 177.327 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 :: 8.439 HA :: 4.921 HB2 :: 3.016 HB3 :: 2.839 HD21 :: 7.671 HD22 :: 6.890 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 :: 116.696 ND2 :: 113.497 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.G140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 173.364 CA :: 45.519 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.159 HA2 :: 4.170 HA3 :: 3.647 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.338 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.V141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 175.780 CA :: 62.081 CB :: 31.625 CG1 :: 20.766 CG2 :: 21.434 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 :: 8.110 HA :: 3.915 HB :: 2.434 HG11 :: 0.704 HG12 :: 0.704 HG13 :: 0.704 HG21 :: 0.884 HG22 :: 0.884 HG23 :: 0.884 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 :: 123.256 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.Q142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 Q 0.31 E 0.24 HN Overlap>> 1.V104 1.V104 C Shift Assignments>> C :: 175.942 CA :: 56.288 CB :: 30.671 CG :: 34.999 CD :: 179.111 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 :: 8.594 HA :: 4.656 HB2 :: 1.945 HB3 :: 1.793 HG2 :: 2.207 HG3 :: 1.880 HE21 :: 7.527 HE22 :: 6.730 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 :: 127.506 NE2 :: 111.809 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.H143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.39 C 0.31 W 0.29 C Shift Assignments>> C :: 174.692 CA :: 54.627 CB :: 31.591 CD2 :: 121.508 CE1 :: 134.788 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 :: 9.094 HA :: 4.932 HB2 :: 3.604 HB3 :: 2.957 HD2 :: 7.370 HE1 :: 8.130 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 :: 121.875 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.F144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.36 C Shift Assignments>> C :: 175.582 CA :: 59.006 CB :: 40.596 CD1 :: 131.919 CD2 :: 131.919 CE1 :: 130.844 CE2 :: 130.844 CZ :: 129.213 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 :: 9.438 HA :: 4.953 HB2 :: 2.679 HB3 :: 2.535 HD1 :: 6.860 HD2 :: 6.860 HE1 :: 6.986 HE2 :: 6.986 HZ :: 7.152 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.367 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.E145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 E 0.49 C Shift Assignments>> C :: 175.667 CA :: 55.039 CB :: 31.295 CG :: 36.286 CD :: 183.039 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 :: 9.294 HA :: 4.575 HB2 :: 2.036 HB3 :: 1.851 HG2 :: 2.146 HG3 :: 1.968 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.362 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.V146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 176.505 CA :: 63.812 CB :: 31.723 CG1 :: 21.363 CG2 :: 19.385 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 :: 8.259 HA :: 3.988 HB :: 1.626 HG11 :: 0.659 HG12 :: 0.659 HG13 :: 0.659 HG21 :: 0.341 HG22 :: 0.341 HG23 :: 0.341 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 :: 127.468 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.Q147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 Q 0.42 E 0.04 C Shift Assignments>> C :: 172.634 CA :: 56.002 CB :: 26.541 CG :: 33.755 CD :: 179.175 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 :: 8.539 HA :: 4.394 HB2 :: 2.351 HB3 :: 2.054 HG2 :: 2.347 HG3 :: 2.323 HE21 :: 6.929 HE22 :: 6.834 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 :: 132.282 NE2 :: 111.134 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.P148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 176.030 CA :: 65.273 CB :: 32.038 CG :: 28.213 CD :: 51.132 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 :: 4.184 HB2 :: 2.439 HB3 :: 1.874 HG2 :: 2.163 HG3 :: 1.921 HD2 :: 3.770 HD3 :: 3.606 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.E149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 E 0.41 Q 0.02 C Shift Assignments>> C :: 175.514 CA :: 55.026 CB :: 31.785 CG :: 34.860 CD :: 182.724 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 :: 10.212 HA :: 5.454 HB2 :: 2.132 HB3 :: 2.132 HG2 :: 2.500 HG3 :: 2.320 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.838 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.T150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 173.472 CA :: 61.270 CB :: 71.106 CG2 :: 21.336 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 :: 8.959 HA :: 4.773 HB :: 4.062 HG21 :: 1.240 HG22 :: 1.240 HG23 :: 1.240 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 :: 113.930 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.F151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 Y 0.34 F 0.23 G 0.02 C Shift Assignments>> C :: 174.209 CA :: 56.486 CB :: 42.242 CD1 :: 131.329 CD2 :: 131.329 CE1 :: 127.702 CE2 :: 127.702 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 :: 9.125 HA :: 5.512 HB2 :: 3.289 HB3 :: 2.916 HD1 :: 6.923 HD2 :: 6.923 HE1 :: 6.847 HE2 :: 6.847 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 :: 127.784 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.T152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 HN Overlap>> 1.L180 1.L180 C Shift Assignments>> C :: 170.637 CA :: 61.095 CB :: 70.889 CG2 :: 21.248 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 :: 8.522 HA :: 3.967 HB :: 3.616 HG21 :: 0.917 HG22 :: 0.917 HG23 :: 0.917 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 :: 123.151 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.C153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.22 L 0.14 C 0.11 F 0.05 K 0.05 Y 0.04 R 0.01 C Shift Assignments>> C :: 172.446 CA :: 52.662 CB :: 40.786 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.627 HA :: 3.938 HB2 :: 3.502 HB3 :: 3.256 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 125.710 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.E154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 C 0.45 Q 0.02 C Shift Assignments>> C :: 176.825 CA :: 59.536 CB :: 29.472 CG :: 36.064 CD :: 181.774 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 :: 7.605 HA :: 3.994 HB2 :: 1.852 HB3 :: 1.725 HG2 :: 1.986 HG3 :: 1.900 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 128.402 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.S155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.841 CA :: 57.292 CB :: 64.695 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.917 HA :: 4.693 HB2 :: 3.907 HB3 :: 3.539 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 :: 109.711 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.I156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.49 C Shift Assignments>> C :: 175.395 CA :: 60.120 CB :: 38.787 CG1 :: 26.250 CG2 :: 19.786 CD1 :: 15.201 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 :: 8.470 HA :: 4.725 HB :: 2.177 HG12 :: 1.378 HG13 :: 1.176 HG21 :: 0.898 HG22 :: 0.898 HG23 :: 0.898 HD11 :: 0.971 HD12 :: 0.971 HD13 :: 0.971 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 :: 119.410 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.G157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 173.069 CA :: 46.228 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.142 HA2 :: 4.001 HA3 :: 3.846 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.242 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.E158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 E 0.33 C Shift Assignments>> C :: 173.027 CA :: 52.926 CB :: 29.597 CG :: 35.709 CD :: 184.276 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 :: 8.503 HA :: 4.784 HB2 :: 1.994 HB3 :: 1.924 HG2 :: 2.208 HG3 :: 2.208 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.293 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.P159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 176.510 CA :: 63.405 CB :: 32.891 CG :: 27.468 CD :: 50.454 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 :: 4.685 HB2 :: 1.989 HB3 :: 1.731 HG2 :: 2.282 HG3 :: 2.151 HD2 :: 3.804 HD3 :: 3.695 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.K160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.34 R 0.16 M 0.03 C Shift Assignments>> C :: 175.664 CA :: 55.019 CB :: 32.928 CG :: 24.458 CD :: 28.657 CE :: 41.832 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 :: 8.542 HA :: 4.683 HB2 :: 1.915 HB3 :: 1.915 HG2 :: 1.541 HG3 :: 1.407 HD2 :: 1.705 HD3 :: 1.705 HE2 :: 2.994 HE3 :: 2.994 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 :: 123.849 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.I161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.42 A 0.01 C Shift Assignments>> C :: 175.577 CA :: 58.546 CB :: 39.648 CG1 :: 28.014 CG2 :: 17.947 CD1 :: 13.909 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 :: 8.732 HA :: 4.933 HB :: 1.812 HG12 :: 1.317 HG13 :: 1.215 HG21 :: 0.732 HG22 :: 0.732 HG23 :: 0.732 HD11 :: 0.847 HD12 :: 0.847 HD13 :: 0.847 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 :: 127.187 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.T162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 172.912 CA :: 61.207 CB :: 71.007 CG2 :: 21.276 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 :: 9.146 HA :: 4.515 HB :: 3.882 HG21 :: 1.121 HG22 :: 1.121 HG23 :: 1.121 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 122.401 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.L163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 G 0.16 C 0.15 A 0.06 R 0.02 C Shift Assignments>> C :: 176.918 CA :: 52.113 CB :: 43.438 CG :: 26.921 CD1 :: 24.950 CD2 :: 23.055 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 :: 8.708 HA :: 5.367 HB2 :: 1.759 HB3 :: 1.453 HG :: 1.709 HD11 :: 0.734 HD12 :: 0.734 HD13 :: 0.734 HD21 :: 1.013 HD22 :: 1.013 HD23 :: 1.013 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 :: 125.585 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.S164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.I34 1.I34 C Shift Assignments>> C :: 175.826 CA :: 58.579 CB :: 62.533 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.322 HA :: 4.410 HB2 :: 4.439 HB3 :: 4.178 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 :: 116.631 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.S165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.282 CA :: 61.760 CB :: 62.647 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.929 HA :: 4.292 HB2 :: 3.996 HB3 :: 3.996 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.258 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.D166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 D 0.32 E 0.1 N 0.04 HN Overlap>> 1.K65 1.K65 C Shift Assignments>> C :: 177.769 CA :: 56.344 CB :: 38.739 CG :: 179.508 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 :: 8.963 HA :: 4.383 HB2 :: 2.856 HB3 :: 2.771 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.044 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.L167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.4 R 0.09 K 0.03 C Shift Assignments>> C :: 177.474 CA :: 57.026 CB :: 41.155 CG :: 27.143 CD1 :: 27.237 CD2 :: 23.811 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 :: 7.701 HA :: 4.370 HB2 :: 2.091 HB3 :: 1.718 HG :: 1.430 HD11 :: 0.813 HD12 :: 0.813 HD13 :: 0.813 HD21 :: 0.827 HD22 :: 0.827 HD23 :: 0.827 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 :: 124.851 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.S168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.24 V 0.24 I 0.2 P 0.13 C 0.03 F 0.03 Y 0.02 W 0.02 S 0.02 C Shift Assignments>> C :: 176.547 CA :: 62.261 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.625 HA :: 3.876 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 :: 114.388 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.S169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.284 CA :: 61.434 CB :: 62.594 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.207 HA :: 4.248 HB2 :: 3.999 HB3 :: 3.999 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 :: 115.072 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.A170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.38 I 0.03 C 0.03 C Shift Assignments>> C :: 180.382 CA :: 55.097 CB :: 18.344 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.651 HA :: 4.170 HB1 :: 1.610 HB2 :: 1.610 HB3 :: 1.610 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.450 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.L171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.35 R 0.07 A 0.03 G 0.01 C Shift Assignments>> C :: 179.573 CA :: 57.086 CB :: 42.047 CG :: 26.500 CD1 :: 25.556 CD2 :: 21.830 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.099 HA :: 3.599 HB2 :: 1.780 HB3 :: 1.232 HG :: 1.456 HD11 :: 0.510 HD12 :: 0.510 HD13 :: 0.510 HD21 :: 0.155 HD22 :: 0.155 HD23 :: 0.155 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.192 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.E172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 C 0.47 Q 0.01 C Shift Assignments>> C :: 178.834 CA :: 58.911 CB :: 29.269 CG :: 36.098 CD :: 182.272 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 :: 8.221 HA :: 3.908 HB2 :: 2.144 HB3 :: 2.027 HG2 :: 2.387 HG3 :: 2.129 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 :: 120.620 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.K173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.36 R 0.13 V 0.04 M 0.04 Q 0.03 C Shift Assignments>> C :: 178.453 CA :: 58.516 CB :: 32.417 CG :: 24.954 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 :: 8.070 HA :: 4.145 HB2 :: 1.940 HB3 :: 1.940 HG2 :: 1.604 HG3 :: 1.604 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 :: 119.292 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.D174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.47 C 0.43 G 0.08 HN Overlap>> 1.K32 1.Q25 1.K32 1.Q25 C Shift Assignments>> C :: 176.616 CA :: 56.373 CB :: 42.858 CG :: 179.153 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 :: 7.872 HA :: 4.641 HB2 :: 2.751 HB3 :: 2.682 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.266 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.S175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.253 CA :: 58.983 CB :: 64.206 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.813 HA :: 4.447 HB2 :: 4.011 HB3 :: 4.011 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.284 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.G176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 173.834 CA :: 45.723 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.090 HA2 :: 4.138 HA3 :: 3.857 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.521 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.N177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.28 C 0.16 HN Overlap>> 1.D38 1.D38 1.Y130 1.Y130 C Shift Assignments>> C :: 174.416 CA :: 52.779 CB :: 39.058 CG :: 176.916 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 :: 8.246 HA :: 4.721 HB2 :: 2.881 HB3 :: 2.741 HD21 :: 7.450 HD22 :: 6.869 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 :: 118.072 ND2 :: 112.519 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.N178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.29 C 0.21 C Shift Assignments>> C :: 174.243 CA :: 53.640 CB :: 38.865 CG :: 177.142 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 :: 8.264 HA :: 4.635 HB2 :: 2.862 HB3 :: 2.752 HD21 :: 7.557 HD22 :: 6.833 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 :: 117.782 ND2 :: 112.748 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.S179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.298 CA :: 57.784 CB :: 64.135 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.859 HA :: 4.446 HB2 :: 3.768 HB3 :: 3.768 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.675 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.L180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.25 R 0.02 A 0.02 HN Overlap>> 1.I204 1.T152 1.I204 1.T152 C Shift Assignments>> C :: 176.161 CA :: 54.253 CB :: 41.478 CG :: 26.772 CD1 :: 25.194 CD2 :: 23.507 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 :: 8.464 HA :: 4.422 HB2 :: 1.617 HB3 :: 1.507 HG :: 1.647 HD11 :: 0.866 HD12 :: 0.866 HD13 :: 0.866 HD21 :: 0.790 HD22 :: 0.790 HD23 :: 0.790 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.237 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.E181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 E 0.47 Q 0.01 C Shift Assignments>> C :: 176.057 CA :: 53.569 CB :: 30.066 CG :: 35.494 CD :: 182.932 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 :: 8.099 HA :: 4.672 HB2 :: 2.198 HB3 :: 1.797 HG2 :: 2.348 HG3 :: 2.241 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 :: 124.056 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.P182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.12 C Shift Assignments>> C :: 175.935 CA :: 64.759 CB :: 31.686 CG :: 27.184 CD :: 50.727 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 :: 4.197 HB2 :: 2.210 HB3 :: 1.914 HG2 :: 2.024 HG3 :: 2.024 HD2 :: 3.886 HD3 :: 3.833 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.D183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.64 C 0.32 N 0.02 C Shift Assignments>> C :: 175.168 CA :: 53.477 CB :: 40.407 CG :: 180.559 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 :: 8.144 HA :: 4.710 HB2 :: 2.743 HB3 :: 2.643 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 :: 114.440 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.M184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.38 A 0.33 C 0.27 HN Overlap>> 1.D15 1.D15 C Shift Assignments>> C :: 176.214 CA :: 53.653 CB :: 34.746 CG :: 32.268 CE :: 17.252 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.696 HA :: 4.710 HB2 :: 2.214 HB3 :: 2.056 HG2 :: 2.644 HG3 :: 2.578 HE1 :: 2.163 HE2 :: 2.163 HE3 :: 2.163 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 :: 118.841 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.E185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 Q 0.29 E 0.15 C Shift Assignments>> C :: 176.834 CA :: 54.543 CB :: 28.025 CG :: 33.343 CD :: 181.699 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 :: 8.831 HA :: 4.980 HB2 :: 1.737 HB3 :: 1.737 HG2 :: 2.339 HG3 :: 2.294 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 :: 120.933 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.P186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.74 P 0.2 G 0.05 C Shift Assignments>> C :: 175.628 CA :: 63.056 CB :: 33.744 CG :: 24.566 CD :: 48.711 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 :: 5.446 HB2 :: 2.136 HB3 :: 2.011 HG2 :: 1.813 HG3 :: 1.506 HD2 :: 3.565 HD3 :: 3.475 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.L187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.47 R 0.01 C Shift Assignments>> C :: 178.026 CA :: 58.569 CB :: 40.502 CG :: 27.708 CD1 :: 24.444 CD2 :: 23.571 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 :: 8.131 HA :: 3.978 HB2 :: 1.889 HB3 :: 1.661 HG :: 1.632 HD11 :: 0.858 HD12 :: 0.858 HD13 :: 0.858 HD21 :: 0.776 HD22 :: 0.776 HD23 :: 0.776 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 :: 126.289 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.K188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.4 R 0.14 M 0.02 C Shift Assignments>> C :: 178.850 CA :: 60.362 CB :: 31.776 CG :: 24.309 CD :: 29.349 CE :: 41.707 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 :: 8.139 HA :: 3.977 HB2 :: 1.482 HB3 :: 1.421 HG2 :: 1.383 HG3 :: 1.317 HD2 :: 1.620 HD3 :: 1.620 HE2 :: 2.943 HE3 :: 2.943 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 :: 119.092 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.T189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 176.508 CA :: 67.997 CB :: 67.135 CG2 :: 22.568 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 :: 7.840 HA :: 4.147 HB :: 4.184 HG21 :: 1.070 HG22 :: 1.070 HG23 :: 1.070 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 :: 117.571 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.L190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.34 R 0.04 HN Overlap>> 1.E28 1.D5 1.E28 1.D5 C Shift Assignments>> C :: 175.608 CA :: 57.483 CB :: 41.579 CG :: 26.565 CD1 :: 25.357 CD2 :: 23.869 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 :: 7.986 HA :: 3.994 HB2 :: 2.238 HB3 :: 2.238 HG :: 1.944 HD11 :: 0.819 HD12 :: 0.819 HD13 :: 0.819 HD21 :: 0.740 HD22 :: 0.740 HD23 :: 0.740 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.021 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.R191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.35 K 0.16 G 0.08 C Shift Assignments>> C :: 174.651 CA :: 55.957 CB :: 31.499 CG :: 28.197 CD :: 43.531 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 :: 7.770 HA :: 4.438 HB2 :: 1.968 HB3 :: 1.898 HG2 :: 1.775 HG3 :: 1.775 HD2 :: 3.313 HD3 :: 3.214 HE :: 7.461 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 114.506 NE :: 83.866 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.Q192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 Q 0.4 E 0.18 C Shift Assignments>> C :: 175.550 CA :: 57.599 CB :: 29.324 CG :: 33.848 CD :: 179.752 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.494 HA :: 4.540 HB2 :: 2.188 HB3 :: 2.188 HG2 :: 2.382 HG3 :: 2.328 HE21 :: 7.371 HE22 :: 6.895 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.333 NE2 :: 111.408 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.A193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.27 I 0.05 C 0.04 V 0.01 HN Overlap>> 1.V100 1.V100 C Shift Assignments>> C :: 180.252 CA :: 55.835 CB :: 18.552 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.495 HA :: 4.186 HB1 :: 1.607 HB2 :: 1.607 HB3 :: 1.607 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.329 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.A194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.34 I 0.03 C 0.03 V 0.01 C Shift Assignments>> C :: 178.351 CA :: 55.414 CB :: 18.596 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.931 HA :: 4.050 HB1 :: 1.496 HB2 :: 1.496 HB3 :: 1.496 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 115.152 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.I195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 178.260 CA :: 63.807 CB :: 35.465 CG1 :: 28.287 CG2 :: 17.634 CD1 :: 11.126 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.084 HA :: 3.578 HB :: 2.055 HG12 :: 1.629 HG13 :: 1.182 HG21 :: 0.851 HG22 :: 0.851 HG23 :: 0.851 HD11 :: 0.770 HD12 :: 0.770 HD13 :: 0.770 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 :: 115.107 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.C196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.22 Y 0.19 F 0.11 I 0.08 M 0.04 N 0.02 K 0.02 D 0.01 C Shift Assignments>> C :: 176.971 CA :: 57.588 CB :: 37.131 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.941 HA :: 4.693 HB2 :: 3.400 HB3 :: 3.064 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.640 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.K197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.33 R 0.28 M 0.01 HN Overlap>> 1.C18 1.C18 C Shift Assignments>> C :: 178.959 CA :: 57.807 CB :: 31.460 CG :: 24.569 CD :: 27.944 CE :: 41.860 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 :: 8.044 HA :: 4.329 HB2 :: 2.018 HB3 :: 1.907 HG2 :: 1.698 HG3 :: 1.596 HD2 :: 1.846 HD3 :: 1.846 HE2 :: 3.111 HE3 :: 3.111 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.174 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.I198 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 177.955 CA :: 65.733 CB :: 38.368 CG1 :: 29.561 CG2 :: 17.332 CD1 :: 13.208 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 :: 8.297 HA :: 3.389 HB :: 1.762 HG12 :: 1.607 HG13 :: 0.223 HG21 :: 0.647 HG22 :: 0.647 HG23 :: 0.647 HD11 :: 0.185 HD12 :: 0.185 HD13 :: 0.185 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.133 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.A199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.21 I 0.07 C 0.02 C Shift Assignments>> C :: 178.173 CA :: 55.832 CB :: 17.438 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.154 HA :: 3.997 HB1 :: 1.707 HB2 :: 1.707 HB3 :: 1.707 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.558 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.E200 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.56 E 0.43 C Shift Assignments>> C :: 177.267 CA :: 59.584 CB :: 29.482 CG :: 35.672 CD :: 184.276 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 :: 8.279 HA :: 2.212(S) HB2 :: 2.010 HB3 :: 1.923 HG2 :: 2.209 HG3 :: 2.209 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 :: 120.410 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.A201 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.27 I 0.05 C 0.02 C Shift Assignments>> C :: 180.873 CA :: 55.275 CB :: 17.250 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.335 HA :: 4.085 HB1 :: 1.535 HB2 :: 1.535 HB3 :: 1.535 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.474 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.C202 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.42 I 0.41 C 0.07 R 0.02 W 0.02 C Shift Assignments>> C :: 176.993 CA :: 62.766 CB :: 26.561 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.996 HA :: 4.032 HB2 :: 3.664 HB3 :: 2.405 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.441 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.Y203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 C 0.3 C Shift Assignments>> C :: 178.403 CA :: 63.272 CB :: 37.683 CD1 :: 132.380 CD2 :: 132.380 CE1 :: 116.685 CE2 :: 116.685 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 :: 8.626 HA :: 3.883 HB2 :: 2.743 HB3 :: 2.541 HD1 :: 7.193 HD2 :: 7.193 HE1 :: 6.704 HE2 :: 6.704 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.226 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.I204 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 HN Overlap>> 1.L180 1.L180 C Shift Assignments>> C :: 180.315 CA :: 65.729 CB :: 37.876 CG1 :: 29.123 CG2 :: 16.949 CD1 :: 13.515 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 :: 8.528 HA :: 3.963 HB :: 2.088 HG12 :: 1.922 HG13 :: 1.274 HG21 :: 1.143 HG22 :: 1.143 HG23 :: 1.143 HD11 :: 0.946 HD12 :: 0.946 HD13 :: 0.946 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 :: 123.294 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.S205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.975 CA :: 63.373 CB :: 62.815 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.319 HA :: 4.549 HB2 :: 4.287 HB3 :: 3.911 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 :: 117.947 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.V206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 HN Overlap>> 1.E24 1.E24 C Shift Assignments>> C :: 179.124 CA :: 66.662 CB :: 32.176 CG1 :: 23.083 CG2 :: 20.203 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 :: 7.850 HA :: 3.543 HB :: 2.192 HG11 :: 0.805 HG12 :: 0.805 HG13 :: 0.805 HG21 :: 1.015 HG22 :: 1.015 HG23 :: 1.015 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.280 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.V207 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 :: 177.185 CA :: 66.387 CB :: 30.313 CG1 :: 25.163 CG2 :: 22.288 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 :: 8.891 HA :: 3.553 HB :: 2.137 HG11 :: 1.223 HG12 :: 1.223 HG13 :: 1.223 HG21 :: 0.629 HG22 :: 0.629 HG23 :: 0.629 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 :: 119.214 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.H208 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 W 0.34 H 0.28 C Shift Assignments>> C :: 176.093 CA :: 60.109 CB :: 26.956 CD2 :: 120.210 CE1 :: 134.359 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.489 HA :: 3.749 HB2 :: 3.052 HB3 :: 2.774 HD2 :: 6.563 HE1 :: 8.256 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 :: 121.199 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.N209 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.19 N 0.15 Y 0.13 F 0.07 M 0.06 D 0.02 K 0.02 I 0.02 C Shift Assignments>> C :: 178.812 CA :: 55.290 CB :: 36.986 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 :: 7.614 HA :: 4.422 HB2 :: 3.181 HB3 :: 2.736 HD21 :: 8.925 HD22 :: 8.628 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 :: 117.796 ND2 :: 113.919 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.I210 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 :: 176.534 CA :: 66.811 CB :: 37.988 CG1 :: 28.486 CG2 :: 17.326 CD1 :: 12.669 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.532 HA :: 3.397 HB :: 1.824 HG12 :: 2.003 HG13 :: 0.758 HG21 :: 0.559 HG22 :: 0.559 HG23 :: 0.559 HD11 :: 0.692 HD12 :: 0.692 HD13 :: 0.692 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.187 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.R211 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.09 K 0.08 C Shift Assignments>> C :: 178.360 CA :: 59.694 CB :: 30.031 CG :: 28.045 CD :: 43.366 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 :: 8.316 HA :: 3.480 HB2 :: 1.809 HB3 :: 1.407 HD2 :: 3.377 HD3 :: 3.170 HE :: 6.141 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 :: 121.049 NE :: 82.998 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.A212 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.45 C 0.03 I 0.01 HN Overlap>> 1.L27 1.L27 1.V124 1.V124 C Shift Assignments>> C :: 181.415 CA :: 54.684 CB :: 18.796 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.007 HA :: 3.999 HB1 :: 1.233 HB2 :: 1.233 HB3 :: 1.233 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.829 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.S213 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.747 CA :: 62.675 CB :: 62.323 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.130 HA :: 4.010 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 :: 115.380 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.A214 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.38 C 0.01 I 0.01 C Shift Assignments>> C :: 178.530 CA :: 53.535 CB :: 17.667 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.392 HA :: 4.656 HB1 :: 1.522 HB2 :: 1.522 HB3 :: 1.522 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.481 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.K215 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.4 R 0.14 M 0.02 C Shift Assignments>> C :: 177.284 CA :: 58.291 CB :: 32.858 CG :: 24.931 CD :: 29.129 CE :: 41.819 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.349 HA :: 4.155 HB2 :: 1.905 HB3 :: 1.905 HG2 :: 1.670 HG3 :: 1.448 HD2 :: 1.690 HD3 :: 1.690 HE2 :: 2.979 HE3 :: 2.979 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.096 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.I216 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 176.577 CA :: 60.997 CB :: 39.032 CG1 :: 26.577 CG2 :: 17.562 CD1 :: 12.049 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.003 HA :: 4.158 HB :: 1.788 HG12 :: 1.271 HG13 :: 1.271 HG21 :: 0.657 HG22 :: 0.657 HG23 :: 0.657 HD11 :: 0.470 HD12 :: 0.470 HD13 :: 0.470 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 :: 112.822 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.L217 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.18 A 0.09 R 0.03 G 0.01 C Shift Assignments>> C :: 174.761 CA :: 52.377 CB :: 41.889 CG :: 26.955 CD1 :: 25.690 CD2 :: 22.789 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 :: 8.347 HA :: 4.801 HB2 :: 1.810 HB3 :: 1.325 HG :: 1.718 HD11 :: 0.621 HD12 :: 0.621 HD13 :: 0.621 HD21 :: 0.827 HD22 :: 0.827 HD23 :: 0.827 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.224 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.P218 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>> C :: 177.026 CA :: 62.063 CB :: 31.857 CG :: 27.519 CD :: 50.268 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 :: 3.859 HB2 :: 2.178 HB3 :: 1.957 HG2 :: 2.052 HG3 :: 2.052 HD2 :: 3.676 HD3 :: 3.676 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.A219 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.25 I 0.06 C 0.02 C Shift Assignments>> C :: 179.274 CA :: 55.578 CB :: 17.542 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.810 HA :: 4.287 HB1 :: 0.681 HB2 :: 0.681 HB3 :: 0.681 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.695 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.S220 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.896 CA :: 59.054 CB :: 62.449 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.257 HA :: 4.650 HB2 :: 4.108 HB3 :: 3.867 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 110.423 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.S221 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.879 CA :: 61.111 CB :: 62.754 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.003 HA :: 4.162 HB2 :: 3.676 HB3 :: 3.566 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 :: 117.530 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.F222 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.35 C Shift Assignments>> C :: 175.723 CA :: 58.832 CB :: 40.950 CD1 :: 131.993 CD2 :: 131.993 CE1 :: 129.995 CE2 :: 129.995 CZ :: 128.916 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 :: 7.547 HA :: 4.097 HB2 :: 3.181 HB3 :: 2.075 HD1 :: 7.117 HD2 :: 7.117 HE1 :: 6.845 HE2 :: 6.845 HZ :: 6.944 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 114.245 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.F223 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 G 0.26 Y 0.22 F 0.22 C Shift Assignments>> C :: 175.070 CA :: 54.890 CB :: 43.735 CD1 :: 132.214 CD2 :: 132.214 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 :: 7.143 HA :: 6.145 HB2 :: 3.204 HB3 :: 2.603 HD1 :: 7.179 HD2 :: 7.179 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 :: 111.124 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.E224 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 C 0.48 Q 0.01 HN Overlap>> 1.D5 1.D5 C Shift Assignments>> C :: 175.903 CA :: 56.206 CB :: 31.430 CG :: 36.029 CD :: 182.150 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 :: 7.969 HA :: 4.369 HB2 :: 1.979 HB3 :: 1.860 HG2 :: 2.078 HG3 :: 2.078 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 :: 119.886 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.N225 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 C 0.26 D 0.23 E 0.01 C Shift Assignments>> C :: 174.087 CA :: 52.970 CB :: 37.873 CG :: 178.132 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 :: 8.426 HA :: 4.725 HB2 :: 2.878 HB3 :: 2.878 HD21 :: 7.659 HD22 :: 7.029 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 :: 116.559 ND2 :: 112.041 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.L226 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.28 R 0.08 G 0.02 C Shift Assignments>> C :: 175.764 CA :: 55.497 CB :: 42.319 CG :: 26.904 CD1 :: 25.362 CD2 :: 24.537 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 :: 8.092 HA :: 4.257 HB2 :: 1.652 HB3 :: 1.522 HG :: 1.636 HD11 :: 0.887 HD12 :: 0.887 HD13 :: 0.887 HD21 :: 0.850 HD22 :: 0.850 HD23 :: 0.850 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.590 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.N227 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.53 C 0.23 N 0.23 C Shift Assignments>> C :: 179.020 CA :: 54.454 CB :: 40.520 CG :: 178.159 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 :: 7.791 HA :: 4.428 HB2 :: 2.736 HB3 :: 2.658 HD21 :: 7.402 HD22 :: 6.756 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 124.328 ND2 :: 112.628 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) ########################################################################### Overall Results: #Consistent: 217 #Clerical: 0 #Suspicious: 8 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 227 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 227 #Suspicious: 0 C Shift Results: #Consistent:1047 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent:1593 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 241 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: 1.D38 CG = 181.689(A), Expected = 178.41, Std = 1.8400, ChiSquare = 7.4739e-02 1.W40 N = 138.113(A), Expected = 121.87, Std = 4.5800, ChiSquare = 3.9038e-04 1.D51 HA = 5.697(S), Expected = 4.61, Std = 0.3100, ChiSquare = 4.5412e-04 1.G71 HA2 = 5.342(S), Expected = 3.95, Std = 0.4000, ChiSquare = 5.0141e-04 1.K73 H = 10.482(S), Expected = 8.22, Std = 0.6400, ChiSquare = 4.0874e-04 1.K87 HD3 = 0.561(S), Expected = 1.61, Std = 0.2500, ChiSquare = 2.7167e-05 1.V89 HB = 0.797(S), Expected = 1.99, Std = 0.3300, ChiSquare = 3.0017e-04 1.K92 HA = 5.883(S), Expected = 4.28, Std = 0.4500, ChiSquare = 3.6773e-04 1.D121 HA = 5.937(S), Expected = 4.61, Std = 0.3100, ChiSquare = 1.8635e-05 1.E200 HA = 2.212(S), Expected = 4.26, Std = 0.4300, ChiSquare = 1.9093e-06