Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 FLAG polypeptide(L) 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.S4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.G5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.G6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.G7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.G8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.S9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.293 HA :: 4.432 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 :: 116.407 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.G10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.472 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.611 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.G11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.G12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.G13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.2 R 0.17 H 0.13 I 0.13 Q 0.11 K 0.09 V 0.07 M 0.05 P 0.01 C Shift Assignments>> CA :: 59.473 CB :: 30.127 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 :: 8.009 HA :: 4.128 HB :: 2.081 HG11 :: 0.917 HG12 :: 0.917 HG13 :: 0.917 HG21 :: 0.917 HG22 :: 0.917 HG23 :: 0.917 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 :: 119.846 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.T15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.152 HA :: 4.346 HB :: 4.196 HG21 :: 1.206 HG22 :: 1.206 HG23 :: 1.206 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.509 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.15 C Shift Assignments>> CA :: 49.835 CB :: 16.714 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.207 HA :: 4.319 HB1 :: 1.348 HB2 :: 1.348 HB3 :: 1.348 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.935 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 D 0.14 Y 0.05 F 0.04 L 0.01 E 0.01 C Shift Assignments>> CA :: 51.643 CB :: 38.257 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.269 HA :: 4.581 HB2 :: 2.717 HB3 :: 2.596 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 :: 120.379 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 A 0.02 C Shift Assignments>> CA :: 58.737 CB :: 36.077 CG1 :: 24.488 CG2 :: 15.057 CD1 :: 10.684 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 :: 7.979 HA :: 4.178 HB :: 1.957 HG12 :: 1.468 HG13 :: 1.468 HG21 :: 0.914 HG22 :: 0.914 HG23 :: 0.914 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 :: 121.171 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.G19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.410 HA2 :: 4.023 HA3 :: 4.023 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.246 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.T20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.47 I 0.38 T 0.13 C Shift Assignments>> CB :: 66.723 CG2 :: 18.864 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 :: 8.005 HA :: 4.463 HB :: 4.320 HG21 :: 1.147 HG22 :: 1.147 HG23 :: 1.147 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.239 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.G21 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.500 HA2 :: 4.099 HA3 :: 3.872 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.048 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 L 0.07 I 0.05 C Shift Assignments>> CD1 :: 22.907 CD2 :: 20.066 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 :: 7.427 HA :: 3.884 HB2 :: 1.417 HB3 :: 1.417 HG :: 1.092 HD11 :: 0.741 HD12 :: 0.741 HD13 :: 0.741 HD21 :: 0.284 HD22 :: 0.284 HD23 :: 0.284 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 :: 118.837 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.38 C Shift Assignments>> CA :: 52.584 CB :: 15.470 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.896 HA :: 4.023 HB1 :: 1.474 HB2 :: 1.474 HB3 :: 1.474 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.194 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.25 I 0.23 N 0.18 Y 0.17 F 0.07 M 0.03 D 0.01 K 0.01 V 0.01 C Shift Assignments>> CB :: 37.029 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 :: 8.265 HA :: 4.337 HB2 :: 2.707 HB3 :: 2.398 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 :: 119.035 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.35 I 0.01 C Shift Assignments>> CA :: 53.278 CB :: 15.760 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.211 HA :: 4.064 HB1 :: 1.528 HB2 :: 1.528 HB3 :: 1.528 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.434 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.38 T 0.32 M 0.12 A 0.11 L 0.03 I 0.01 C Shift Assignments>> CD2 :: 20.963 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 :: 7.334 HA :: 4.351 HG :: 1.339 HD11 :: 0.910 HD12 :: 0.910 HD13 :: 0.910 HD21 :: 0.710 HD22 :: 0.710 HD23 :: 0.710 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 114.238 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 A 0.03 S 0.02 C Shift Assignments>> CA :: 59.438 CB :: 68.796 CG2 :: 19.133 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 :: 7.708 HA :: 4.492 HB :: 4.260 HG21 :: 1.235 HG22 :: 1.235 HG23 :: 1.235 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 :: 106.430 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 I 0.37 A 0.13 C Shift Assignments>> CB :: 16.724 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.906 HA :: 4.812 HB1 :: 1.436 HB2 :: 1.436 HB3 :: 1.436 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.420 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.P29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> G 0.96 L 0.02 C Shift Assignments>> CA :: 59.166 CB :: 29.865 CG :: 24.674 CD :: 47.648 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) FLAG polypeptide(L) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.29 L 0.23 T 0.23 K 0.1 M 0.07 I 0.03 A 0.02 C Shift Assignments>> CD1 :: 22.918 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 :: 8.204 HA :: 4.052 HB2 :: 1.611 HB3 :: 1.411 HD11 :: 0.829 HD12 :: 0.829 HD13 :: 0.829 HD21 :: 0.733 HD22 :: 0.733 HD23 :: 0.733 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 :: 121.970 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.73 A 0.11 N 0.07 D 0.03 L 0.01 HN Overlap>> 1.F135 1.F135 C Shift Assignments>> CA :: 50.115 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 :: 8.720 HA :: 4.772 HB2 :: 2.790 HB3 :: 2.453 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.105 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.H32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> L 0.35 K 0.26 R 0.19 Q 0.07 H 0.05 I 0.01 M 0.01 E 0.01 C Shift Assignments>> CA :: 55.083 CB :: 25.707 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) FLAG polypeptide(L) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.47 M 0.24 L 0.2 K 0.04 I 0.02 R 0.01 HN Overlap>> 1.T157 1.T157 C Shift Assignments>> CB :: 29.218 CG :: 22.077 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 :: 8.589 HA :: 4.112 HB2 :: 1.708 HB3 :: 1.708 HG2 :: 1.158 HG3 :: 1.158 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 :: 118.920 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.D34 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.420 HA :: 4.368 HB2 :: 2.597 HB3 :: 2.451 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 :: 120.940 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.K35 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.266 HA :: 4.169 HB2 :: 1.692 HB3 :: 1.692 HG2 :: 1.528 HG3 :: 1.528 HE2 :: 2.980 HE3 :: 2.980 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 :: 121.280 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.G36 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.716 HA2 :: 3.822 HA3 :: 3.618 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.002 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.L37 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.032 HA :: 4.406 HB2 :: 1.374 HB3 :: 1.374 HD11 :: 0.855 HD12 :: 0.855 HD13 :: 0.855 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 :: 127.683 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.K38 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 9.190 HA :: 3.925 HB2 :: 1.902 HB3 :: 1.902 HG2 :: 1.144 HG3 :: 1.144 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 :: 132.634 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.19 N 0.11 L 0.11 A 0.1 M 0.09 H 0.08 Q 0.06 R 0.05 K 0.05 Y 0.03 E 0.03 F 0.03 S 0.01 C Shift Assignments>> CA :: 54.451 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.161 HA :: 5.097 HB2 :: 3.764 HB3 :: 3.568 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 :: 110.262 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 V 0.07 HN Overlap>> 1.N76 1.T62 1.N76 1.T62 C Shift Assignments>> CD1 :: 24.142 CD2 :: 23.819 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 :: 8.142 HA :: 4.481 HG :: 1.315 HD11 :: 0.515 HD12 :: 0.515 HD13 :: 0.515 HD21 :: 0.515 HD22 :: 0.515 HD23 :: 0.515 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 :: 122.761 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.84 T 0.14 HN Overlap>> 1.E43 1.Q87 1.E43 1.Q87 C Shift Assignments>> CA :: 60.301 CB :: 65.862 CG2 :: 19.312 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 :: 8.641 HA :: 4.141 HB :: 3.964 HG21 :: 1.058 HG22 :: 1.058 HG23 :: 1.058 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 :: 124.142 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 L 0.16 I 0.04 HN Overlap>> 1.D122 1.D122 C Shift Assignments>> CD1 :: 20.870 CD2 :: 23.693 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 :: 8.586 HA :: 4.337 HB2 :: 1.880 HB3 :: 1.880 HG :: 1.497 HD11 :: 0.568 HD12 :: 0.568 HD13 :: 0.568 HD21 :: 0.132 HD22 :: 0.132 HD23 :: 0.132 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 :: 128.603 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.E43 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.E224 1.Q87 1.T96 1.T41 1.E224 1.Q87 1.T96 1.T41 H Shift Assignments>> H :: 8.644 HA :: 4.663 HB2 :: 2.071 HG2 :: 2.235 HG3 :: 2.235 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 :: 124.180 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.D44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.63 D 0.11 Y 0.09 F 0.06 E 0.04 M 0.02 L 0.01 C Shift Assignments>> CA :: 52.879 CB :: 37.711 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 :: 10.243(S) HA :: 4.518 HB2 :: 2.571 HB3 :: 2.253 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.177 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.588 CB :: 61.66 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.546 HA :: 3.850 HB2 :: 3.677 HB3 :: 3.532 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 :: 116.191 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 A 0.04 C Shift Assignments>> CA :: 57.605 CB :: 36.694 CG2 :: 15.218 CD1 :: 12.002 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 6.902 HA :: 3.874 HB :: 1.533 HG12 :: 1.166 HG13 :: 1.166 HG21 :: 0.764 HG22 :: 0.764 HG23 :: 0.764 HD11 :: 0.570 HD12 :: 0.570 HD13 :: 0.570 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 :: 116.189 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.12 L 0.11 H 0.11 Q 0.1 K 0.09 R 0.09 E 0.06 D 0.06 Y 0.05 F 0.05 S 0.03 N 0.02 A 0.02 C Shift Assignments>> CA :: 55.995 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.804 HA :: 4.342 HB2 :: 3.930 HB3 :: 3.842 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 :: 118.738 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.Q48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 H 0.21 R 0.21 K 0.16 E 0.13 Q 0.02 V 0.01 C Shift Assignments>> CA :: 55.111 CG :: 31.305 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 :: 8.522 HA :: 3.939 HB2 :: 2.020 HB3 :: 2.020 HG2 :: 2.338 HG3 :: 2.338 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.475 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.N49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 M 0.15 P 0.14 E 0.05 K 0.03 Y 0.03 Q 0.02 F 0.01 D 0.01 C Shift Assignments>> CA :: 50.839 CB :: 35.767 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 :: 8.437 HA :: 4.693 HB2 :: 2.893 HB3 :: 2.893 HD21 :: 7.533 HD22 :: 6.871 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 :: 117.233 ND2 :: 113.193 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.28 L 0.24 D 0.14 F 0.1 R 0.08 Y 0.06 I 0.03 N 0.02 C Shift Assignments>> CA :: 41.883 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.952 HA2 :: 4.518 HA3 :: 4.054 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.751 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 T 0.34 C Shift Assignments>> CA :: 57.026 CB :: 69.887 CG2 :: 19.055 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 :: 8.548 HA :: 5.012 HB :: 3.926 HG21 :: 0.995 HG22 :: 0.995 HG23 :: 0.995 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 :: 108.710 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 L 0.2 M 0.15 K 0.02 C Shift Assignments>> CA :: 50.822 CD1 :: 22.303 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 :: 9.110 HA :: 5.183 HG :: 1.027 HD11 :: 0.566 HD12 :: 0.566 HD13 :: 0.566 HD21 :: 0.129 HD22 :: 0.129 HD23 :: 0.129 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 :: 124.606 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.73 T 0.21 A 0.04 C Shift Assignments>> CA :: 59.535 CB :: 66.838 CG2 :: 18.451 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 :: 9.312 HA :: 5.288 HB :: 3.935 HG21 :: 1.003 HG22 :: 1.003 HG23 :: 1.003 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 :: 125.445 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.L54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.95 L 0.03 C Shift Assignments>> CD1 :: 20.917 CD2 :: 21.833 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 :: 8.992 HA :: 5.563 HG :: 1.202 HD11 :: 0.100 HD12 :: 0.100 HD13 :: 0.100 HD21 :: -0.279(S) HD22 :: -0.279(S) HD23 :: -0.279(S) 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 :: 128.814 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 P 0.02 C Shift Assignments>> CA :: 53.944 CB :: 63.384 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.017 HA :: 5.476 HB2 :: 3.847 HB3 :: 3.847 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 :: 112.964 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.12 L 0.09 HN Overlap>> 1.T173 1.T173 C Shift Assignments>> CA :: 50.743 CB :: 21.372 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.324 HA :: 4.605 HB1 :: 1.523 HB2 :: 1.523 HB3 :: 1.523 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.555 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.18 M 0.13 Q 0.03 A 0.01 C Shift Assignments>> CA :: 53.331 CB :: 24.659 CG :: 32.155 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 :: 9.080 HA :: 3.884 HB2 :: 2.335 HB3 :: 2.014 HG2 :: 2.438 HG3 :: 2.104 HE21 :: 7.486 HE22 :: 6.842 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.815 NE2 :: 112.177 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.32 K 0.1 D 0.07 F 0.06 Y 0.03 G 0.03 I 0.01 C Shift Assignments>> CA :: 42.856 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.527 HA2 :: 4.168 HA3 :: 3.608 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.983 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 A 0.18 L 0.01 C Shift Assignments>> CA :: 47.662 CB :: 20.147 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.203 HA :: 4.811 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 :: 125.153 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.26 R 0.16 M 0.13 P 0.13 Q 0.13 K 0.08 E 0.06 C Shift Assignments>> CA :: 52.179 CB :: 30.203 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 :: 8.154 HA :: 5.508 HB3 :: 1.820 HG2 :: 2.134 HG3 :: 2.134 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.318 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.21 D 0.16 I 0.15 N 0.14 L 0.04 K 0.01 C Shift Assignments>> CE :: 39.798 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 :: 8.821 HA :: 4.311 HG2 :: 0.918 HG3 :: 0.709 HD2 :: 1.515 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 :: 123.743 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.57 S 0.42 HN Overlap>> 1.L40 1.N76 1.L40 1.N76 C Shift Assignments>> CA :: 59.427 CB :: 66.932 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 :: 8.149 HA :: 4.928 HB :: 3.735 HG21 :: 1.092 HG22 :: 1.092 HG23 :: 1.092 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 :: 122.829 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.Y63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.19 L 0.11 N 0.11 A 0.09 M 0.09 H 0.08 Q 0.06 R 0.06 K 0.05 E 0.03 Y 0.03 F 0.03 S 0.01 HN Overlap>> 1.S80 1.S80 C Shift Assignments>> CA :: 54.508 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 :: 9.466 HA :: 4.606 HB2 :: 2.799 HB3 :: 2.630 HD1 :: 6.819 HD2 :: 6.819 HE1 :: 6.496 HE2 :: 6.496 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 :: 127.472 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.G64 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.2 D 0.17 I 0.14 N 0.13 L 0.05 K 0.01 C Shift Assignments>> CA :: 39.885(S) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.253 HA2 :: 4.670 HA3 :: 3.619 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.182 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.N65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.21 A 0.19 D 0.16 L 0.09 M 0.07 H 0.06 Q 0.04 R 0.04 K 0.03 Y 0.02 F 0.02 E 0.02 HN Overlap>> 1.Y203 1.A111 1.S227 1.Y203 1.A111 1.S227 C Shift Assignments>> CA :: 53.691 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 :: 8.616 HA :: 4.109 HB2 :: 2.626 HB3 :: 2.626 HD21 :: 7.544 HD22 :: 6.878 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 :: 117.778 ND2 :: 114.096 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.19 K 0.17 D 0.1 F 0.07 Y 0.05 I 0.02 G 0.01 N 0.01 C Shift Assignments>> CA :: 42.431 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.053 HA2 :: 4.344 HA3 :: 3.359 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.232 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.D67 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.120 HA :: 4.844 HB2 :: 3.221 HB3 :: 2.994 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 :: 122.593 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 54.858 CB :: 62.114 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.500 HA :: 5.088 HB2 :: 3.673 HB3 :: 3.572 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 :: 113.557 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CD1 :: 20.204 CD2 :: 20.309 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.989 HA :: 4.570 HB2 :: 1.660 HB3 :: 1.660 HG :: 1.150 HD11 :: 0.477 HD12 :: 0.477 HD13 :: 0.477 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 :: 126.836 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.N70 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 K 0.21 V 0.19 Q 0.17 P 0.08 R 0.03 H 0.03 E 0.02 C Shift Assignments>> CB :: 33.265 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 :: 8.491 HA :: 4.958 HB2 :: 3.697 HB3 :: 2.794 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 :: 126.343 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 T 0.19 V 0.17 F 0.08 Y 0.07 S 0.07 P 0.04 E 0.02 R 0.02 K 0.01 H 0.01 Q 0.01 M 0.01 C Shift Assignments>> CA :: 61.005 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 :: 7.831 HA :: 3.759 HB :: 3.965 HG21 :: 0.884 HG22 :: 0.884 HG23 :: 0.884 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 :: 114.742 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.G72 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.880 HA2 :: 3.907 HA3 :: 3.907 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.976 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.K73 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 6.604 HA :: 4.160 HG2 :: 1.493 HG3 :: 1.322 HD2 :: 1.621 HD3 :: 1.621 HE2 :: 2.802 HE3 :: 2.802 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 :: 113.898 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.L74 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.422 HA :: 4.358 HB2 :: 1.639 HB3 :: 1.639 HG :: 1.490 HD11 :: 0.881 HD12 :: 0.881 HD13 :: 0.881 HD21 :: 0.654 HD22 :: 0.654 HD23 :: 0.654 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.180 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.K75 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.617 HA :: 4.079 HB2 :: 1.724 HB3 :: 1.724 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 :: 121.119 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 M 0.1 I 0.09 Y 0.07 K 0.06 N 0.05 V 0.05 Q 0.03 F 0.02 HN Overlap>> 1.L40 1.L40 1.T62 1.T62 C Shift Assignments>> CB :: 35.772 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 :: 8.154 HA :: 3.935 HB2 :: 2.537 HB3 :: 2.288 HD21 :: 7.481 HD22 :: 7.481 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 :: 122.761 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.3 N 0.26 D 0.14 L 0.06 M 0.04 H 0.04 R 0.02 Q 0.02 K 0.02 Y 0.01 F 0.01 E 0.01 P 0.01 C Shift Assignments>> CA :: 52.584 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.227 HA :: 3.787 HB2 :: 2.950 HB3 :: 2.838 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 :: 114.129 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.61 M 0.16 Q 0.07 K 0.06 H 0.03 N 0.02 R 0.02 C Shift Assignments>> CA :: 51.072 CB :: 33.783 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 :: 6.579 HA :: 4.572 HB2 :: 1.202 HB3 :: 1.202 HG2 :: 1.607 HG3 :: 1.379 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 :: 114.135 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 M 0.32 V 0.19 T 0.09 A 0.01 C Shift Assignments>> CA :: 59.24 CG2 :: 18.932 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 :: 8.729 HA :: 4.402 HB :: 1.853 HG11 :: 0.565 HG12 :: 0.565 HG13 :: 0.565 HG21 :: 0.565 HG22 :: 0.565 HG23 :: 0.565 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 :: 123.191 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.12 L 0.11 H 0.11 Q 0.1 K 0.09 R 0.09 E 0.06 D 0.06 Y 0.05 F 0.05 S 0.03 N 0.02 A 0.02 HN Overlap>> 1.Y63 1.Y63 C Shift Assignments>> CA :: 55.978 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.542 HA :: 4.636 HB2 :: 3.684 HB3 :: 3.446 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 :: 127.445 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.R81 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.093 HA :: 5.210 HB2 :: 1.644 HB3 :: 1.521 HG2 :: 1.376 HG3 :: 1.376 HD2 :: 3.001 HD3 :: 3.001 HE :: 7.185 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 :: 123.743 NE :: 122.311 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.F82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.28 N 0.25 D 0.14 L 0.07 M 0.05 H 0.04 R 0.03 Q 0.03 K 0.02 Y 0.01 F 0.01 E 0.01 C Shift Assignments>> CA :: 53.09 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 :: 9.312 HA :: 4.951 HB2 :: 3.383 HB3 :: 3.015 HD1 :: 7.196 HD2 :: 7.196 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 :: 119.529 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.D83 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.A259 1.I176 1.A259 1.I176 H Shift Assignments>> H :: 9.122 HA :: 5.593 HB2 :: 2.894 HB3 :: 2.894 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 :: 123.825 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.F84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.3 N 0.26 D 0.14 L 0.06 M 0.04 H 0.04 R 0.02 Q 0.02 K 0.02 Y 0.01 F 0.01 E 0.01 P 0.01 C Shift Assignments>> CA :: 52.584 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 :: 9.090 HA :: 6.410 HB2 :: 2.911 HB3 :: 2.911 HD1 :: 6.859 HD2 :: 6.859 HE1 :: 7.043 HE2 :: 7.043 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.862 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.I85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.S126 1.S126 C Shift Assignments>> CB :: 39.939 CG2 :: 15.556 CD1 :: 10.804 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 :: 8.441 HA :: 4.662 HB :: 1.697 HG12 :: 1.523 HG13 :: 1.523 HG21 :: 0.980 HG22 :: 0.980 HG23 :: 0.980 HD11 :: 0.746 HD12 :: 0.746 HD13 :: 0.746 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 :: 118.049 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.R86 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.983 HA :: 5.591 HB2 :: 0.926 HB3 :: 0.926 HG2 :: 1.666 HG3 :: 1.666 HE :: 8.001 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 127.006 NE :: 119.511 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.Q87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.3 N 0.23 P 0.17 D 0.1 L 0.04 M 0.03 H 0.03 R 0.01 Q 0.01 K 0.01 HN Overlap>> 1.E43 1.E43 1.T41 1.T41 C Shift Assignments>> CA :: 51.512 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 :: 8.643 HA :: 5.630 HB2 :: 1.840 HB3 :: 1.840 HG2 :: 2.199 HG3 :: 2.026 HE21 :: 7.225 HE22 :: 6.793 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 :: 124.142 NE2 :: 113.549 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.I88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 A 0.09 HN Overlap>> 1.L112 1.L112 C Shift Assignments>> CA :: 56.995 CB :: 39.927 CG2 :: 14.968 CD1 :: 11.622 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 :: 8.617 HA :: 4.690 HB :: 1.844 HG12 :: 1.377 HG13 :: 1.377 HG21 :: 0.838 HG22 :: 0.838 HG23 :: 0.838 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 116.353 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 P 0.2 R 0.16 H 0.11 Q 0.09 K 0.07 E 0.02 M 0.01 C Shift Assignments>> CA :: 52.204 CB :: 27.325 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 :: 8.298 HA :: 5.100 HB2 :: 1.931 HB3 :: 1.757 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 :: 124.458 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.17 R 0.17 M 0.15 E 0.14 H 0.12 V 0.11 Q 0.06 I 0.03 C Shift Assignments>> CA :: 58.664 CB :: 31.861 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 :: 8.957 HA :: 4.169 HB :: 1.896 HG11 :: 0.853 HG12 :: 0.853 HG13 :: 0.853 HG21 :: 0.853 HG22 :: 0.853 HG23 :: 0.853 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 :: 127.580 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 M 0.11 E 0.1 Y 0.07 K 0.03 F 0.03 D 0.03 Q 0.01 C Shift Assignments>> CA :: 52.389 CB :: 36.409 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.369 HA :: 4.287 HB2 :: 3.005 HB3 :: 2.628 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 :: 129.411 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.32 K 0.11 D 0.08 F 0.06 Y 0.03 G 0.03 I 0.01 C Shift Assignments>> CA :: 42.836 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.552 HA2 :: 4.090 HA3 :: 3.618 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.862 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.Q93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.77 R 0.11 K 0.06 M 0.03 C Shift Assignments>> CA :: 50.918 CB :: 28.602 CG :: 30.856 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 :: 7.808 HA :: 4.578 HB2 :: 2.040 HB3 :: 1.955 HG2 :: 2.256 HG3 :: 2.256 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 :: 120.412 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 I 0.05 V 0.02 C Shift Assignments>> CB :: 39.873 CD1 :: 21.974 CD2 :: 21.430 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 :: 8.414 HA :: 4.704 HB2 :: 1.521 HB3 :: 1.323 HD11 :: 0.714 HD12 :: 0.714 HD13 :: 0.714 HD21 :: 0.714 HD22 :: 0.714 HD23 :: 0.714 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 :: 125.061 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.Q103 1.Q103 C Shift Assignments>> CA :: 63.319 CB :: 37.407 CG2 :: 14.917 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 :: 9.181 HA :: 4.371 HB :: 1.843 HG12 :: 1.376 HG13 :: 1.204 HG21 :: 0.820 HG22 :: 0.820 HG23 :: 0.820 HD11 :: 0.738 HD12 :: 0.738 HD13 :: 0.738 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 :: 127.724 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.T96 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E43 1.E224 1.E43 1.E224 C Shift Assignments>> CA :: 60.344 CB :: 59.719(S) 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 :: 8.730 HA :: 4.411 HB :: 4.086 HG21 :: 1.161 HG22 :: 1.161 HG23 :: 1.161 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 :: 124.240 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.L97 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.790 HA :: 4.400 HB2 :: 1.610 HB3 :: 1.610 HG :: 1.440 HD11 :: 0.808 HD12 :: 0.808 HD13 :: 0.808 HD21 :: 0.808 HD22 :: 0.808 HD23 :: 0.808 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 :: 126.147 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.E98 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.596 HA :: 5.102 HB2 :: 2.249 HB3 :: 2.249 HG2 :: 2.513 HG3 :: 2.513 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 :: 116.937 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 P 0.01 C Shift Assignments>> CA :: 54.01 CB :: 63.876 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.906 HA :: 4.504 HB2 :: 3.997 HB3 :: 3.567 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 :: 117.823 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.G100 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.250 HA2 :: 4.872 HA3 :: 3.731 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.436 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.29 H 0.19 R 0.15 K 0.13 P 0.08 Q 0.07 E 0.05 C Shift Assignments>> CA :: 52.584 CB :: 31.750 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 :: 9.661 HA :: 5.643 HB2 :: 2.334 HB3 :: 2.334 HG2 :: 2.571 HG3 :: 2.571 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 126.793 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.F102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 A 0.21 D 0.15 L 0.08 M 0.06 H 0.05 Q 0.03 R 0.03 K 0.03 Y 0.02 F 0.02 E 0.01 C Shift Assignments>> CA :: 53.537 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 10.441 HA :: 5.248 HB2 :: 3.210 HB3 :: 2.833 HD1 :: 6.868 HD2 :: 6.868 HE1 :: 6.691 HE2 :: 6.691 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 :: 131.837 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.43 A 0.22 N 0.16 D 0.07 L 0.02 M 0.02 H 0.01 R 0.01 HN Overlap>> 1.F147 1.F147 1.I95 1.I95 C Shift Assignments>> CA :: 50.925 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 :: 9.135 HA :: 5.205 HB2 :: 2.136 HB3 :: 2.136 HG2 :: 2.312 HG3 :: 2.312 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 :: 127.720 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 I 0.19 A 0.09 V 0.01 C Shift Assignments>> CA :: 57.086 CG2 :: 17.706 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 :: 8.937 HA :: 4.780 HB :: 1.834 HG11 :: 0.814 HG12 :: 0.814 HG13 :: 0.814 HG21 :: 0.543 HG22 :: 0.543 HG23 :: 0.543 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 :: 120.097 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.Y105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.19 L 0.11 N 0.11 A 0.1 M 0.09 H 0.08 Q 0.06 R 0.05 K 0.05 Y 0.03 E 0.03 F 0.03 S 0.01 C Shift Assignments>> CA :: 54.486 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 :: 9.108 HA :: 4.834 HB2 :: 2.890 HB3 :: 2.890 HD1 :: 6.834 HD2 :: 6.834 HE1 :: 6.469 HE2 :: 6.469 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 :: 128.426 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.K106 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Suspicious N Shifts: Consistent H Shift Assignments>> H :: 5.945(S) HB2 :: 1.748 HB3 :: 1.748 HG2 :: 1.324 HG3 :: 1.324 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 129.163 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.Q107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 R 0.18 K 0.12 H 0.07 P 0.07 Q 0.07 M 0.01 E 0.01 HN Overlap>> 1.D177 1.T175 1.D177 1.T175 C Shift Assignments>> CA :: 52.584 CB :: 26.175 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 :: 8.526 HA :: 5.160 HB2 :: 2.248 HB3 :: 2.248 HG2 :: 2.353 HG3 :: 2.353 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 125.978 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.S108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.521 CB :: 60.737 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.621 HA :: 4.403 HB2 :: 3.798 HB3 :: 3.241 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 :: 117.542 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.H109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.44 L 0.23 R 0.11 H 0.08 Q 0.06 K 0.04 E 0.01 C Shift Assignments>> CA :: 51.743 CB :: 27.174 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 :: 10.381 HA :: 4.594 HB2 :: 3.556 HB3 :: 2.568 HD2 :: 6.927 HE1 :: 8.784 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.449 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.S110 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.22 P 0.21 T 0.19 I 0.15 S 0.15 F 0.02 Y 0.01 C Shift Assignments>> CB :: 62.986 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.366 HA :: 4.870 HB2 :: 2.926 HB3 :: 2.232(S) 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 :: 113.397 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.A111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 G 0.08 M 0.05 HN Overlap>> 1.Y203 1.Y203 1.N65 1.N65 C Shift Assignments>> CA :: 49.015 CB :: 20.256 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.541 HA :: 4.826 HB1 :: 1.243 HB2 :: 1.243 HB3 :: 1.243 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.786 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.32 N 0.25 D 0.12 P 0.08 L 0.05 M 0.03 H 0.03 R 0.02 Q 0.01 K 0.01 Y 0.01 F 0.01 HN Overlap>> 1.I88 1.I88 C Shift Assignments>> CA :: 51.818 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 :: 8.529 HA :: 5.680 HB2 :: 1.848 HB3 :: 1.848 HD11 :: 1.066 HD12 :: 1.066 HD13 :: 1.066 HD21 :: 1.066 HD22 :: 1.066 HD23 :: 1.066 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.345 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.T113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 T 0.08 C Shift Assignments>> CA :: 54.458 CB :: 68.586 CG2 :: 21.073 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 :: 8.758 HA :: 5.563 HB :: 3.502 HG21 :: 0.951 HG22 :: 0.951 HG23 :: 0.951 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.469 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.A114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 G 0.2 M 0.05 L 0.05 C Shift Assignments>> CA :: 48.886 CB :: 21.583 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.829 HA :: 4.466 HB1 :: 1.002 HB2 :: 1.002 HB3 :: 1.002 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.456 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 L 0.48 C Shift Assignments>> CD1 :: 22.683 CD2 :: 23.035 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 :: 8.407 HA :: 4.814 HG :: 1.200 HD11 :: 0.475 HD12 :: 0.475 HD13 :: 0.475 HD21 :: 0.131 HD22 :: 0.131 HD23 :: 0.131 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.223 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.Q116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.62 A 0.15 N 0.1 D 0.04 L 0.01 M 0.01 H 0.01 C Shift Assignments>> CA :: 50.544 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 :: 9.720 HA :: 5.312 HB2 :: 2.326 HB3 :: 2.326 HG2 :: 2.739 HG3 :: 2.544 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 :: 127.827 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.T117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 S 0.01 C Shift Assignments>> CA :: 64.037 CB :: 66.868 CG2 :: 20.213 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 :: 9.663 HA :: 4.198 HB :: 4.057 HG21 :: 1.674 HG22 :: 1.674 HG23 :: 1.674 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 :: 128.929 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.E118 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 9.486 HA :: 4.885 HB2 :: 1.644 HB3 :: 1.644 HG2 :: 2.248 HG3 :: 2.248 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 :: 123.497 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.Q119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.32 N 0.25 D 0.12 P 0.07 L 0.05 M 0.04 H 0.03 R 0.02 Q 0.01 K 0.01 Y 0.01 F 0.01 HN Overlap>> 1.K152 1.K152 C Shift Assignments>> CA :: 51.858 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 :: 8.076 HA :: 5.331 HB2 :: 2.038 HB3 :: 2.038 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 :: 118.023 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.E120 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.Y228 1.Y228 H Shift Assignments>> H :: 9.078 HA :: 5.071 HB2 :: 1.960 HB3 :: 1.960 HG2 :: 2.320 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 :: 118.433 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.Q121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.61 K 0.27 Q 0.05 M 0.04 C Shift Assignments>> CA :: 53.996 CB :: 27.158 CG :: 31.209 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 :: 7.711 HA :: 4.430 HB2 :: 2.165 HB3 :: 2.022 HG2 :: 2.493 HG3 :: 2.261 HE21 :: 7.682 HE22 :: 6.463 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 :: 122.412 NE2 :: 112.176 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.D122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.23 G 0.16 L 0.03 F 0.02 Y 0.02 HN Overlap>> 1.L42 1.L42 C Shift Assignments>> CA :: 48.797 CB :: 39.852 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 :: 8.675 HA :: 4.632 HB2 :: 3.443 HB3 :: 2.334 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 128.625 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.P123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> K 0.42 V 0.22 R 0.19 P 0.12 L 0.01 M 0.01 C Shift Assignments>> CA :: 61.579 CB :: 29.597 CG :: 24.674 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) FLAG polypeptide(L) 1.E124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 Q 0.34 R 0.18 M 0.06 P 0.04 E 0.02 C Shift Assignments>> CA :: 53.025 CB :: 27.927 CG :: 33.164 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 :: 8.297 HA :: 4.196 HB2 :: 1.715 HB3 :: 1.715 HG2 :: 2.165 HG3 :: 2.012 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.538 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.H125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.35 L 0.31 R 0.13 K 0.06 H 0.06 Q 0.05 C Shift Assignments>> CA :: 51.886 CB :: 26.387 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.419 HA :: 4.833 HB2 :: 3.195 HB3 :: 2.978 HD2 :: 6.458 HE1 :: 8.643 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 :: 117.464 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.S126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.13 F 0.12 E 0.11 S 0.1 R 0.09 K 0.08 Q 0.07 H 0.07 M 0.06 L 0.04 I 0.02 V 0.01 T 0.01 D 0.01 HN Overlap>> 1.I85 1.I85 C Shift Assignments>> CA :: 57.988 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.441 HA :: 4.261 HB2 :: 3.887 HB3 :: 3.887 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 :: 117.954 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.E127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 K 0.24 R 0.16 Q 0.05 H 0.04 M 0.02 C Shift Assignments>> CA :: 53.707 CB :: 25.492 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 :: 9.221 HA :: 4.366 HB2 :: 2.197 HB3 :: 2.113 HG2 :: 2.408 HG3 :: 2.408 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 :: 120.404 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.K128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 V 0.02 HN Overlap>> 1.R133 1.R133 C Shift Assignments>> CA :: 52.264 CB :: 32.404 CG :: 22.118 CD :: 24.606 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 :: 8.262 HA :: 4.661 HB2 :: 1.899 HB3 :: 1.899 HG2 :: 1.379 HG3 :: 1.379 HD2 :: 1.580 HD3 :: 1.580 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 :: 122.166 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.M129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.58 H 0.14 R 0.07 Q 0.06 K 0.04 M 0.04 E 0.02 L 0.01 C Shift Assignments>> CA :: 50.958 CG :: 29.684 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 :: 8.242 HA :: 5.012 HB2 :: 1.901 HB3 :: 1.901 HG2 :: 2.510 HG3 :: 2.307 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.422 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.V130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 K 0.23 Q 0.14 R 0.13 H 0.11 E 0.08 V 0.03 C Shift Assignments>> CA :: 56.296 CB :: 32.606 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 :: 9.200 HA :: 4.609 HB :: 2.124 HG11 :: 0.917 HG12 :: 0.917 HG13 :: 0.917 HG21 :: 0.917 HG22 :: 0.917 HG23 :: 0.917 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.290 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.A131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.32 G 0.03 C Shift Assignments>> CA :: 49.739 CB :: 15.351 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.368 HA :: 4.654 HB1 :: 1.378 HB2 :: 1.378 HB3 :: 1.378 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.734 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.K132 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.732 HA :: 4.171 HB2 :: 1.646 HB3 :: 1.646 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 :: 127.309 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.R133 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.K128 1.K128 H Shift Assignments>> H :: 8.193 HA :: 5.073 HB2 :: 1.732 HB3 :: 1.732 HG2 :: 1.483 HG3 :: 1.483 HD2 :: 3.316 HD3 :: 3.092 HE :: 8.034 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 :: 122.190 NE :: 122.220 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.R134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.26 C Shift Assignments>> CA :: 52.584 CB :: 31.325 CD :: 40.977 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 :: 7.539 HA :: 4.667 HB2 :: 1.929 HB3 :: 1.728 HG2 :: 1.502 HG3 :: 1.502 HD2 :: 3.142 HD3 :: 3.142 HE :: 7.658 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 :: 121.632 NE :: 122.256 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.F135 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.D31 1.D31 H Shift Assignments>> H :: 8.816 HA :: 5.680 HB2 :: 3.242 HB3 :: 3.033 HD1 :: 7.202 HD2 :: 7.202 HE1 :: 6.902 HE2 :: 6.902 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 125.107 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.R136 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.741 HA :: 4.402 HB2 :: 1.471 HB3 :: 1.471 HE :: 7.192 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 :: 125.640 NE :: 121.748 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.I137 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.99 HN Overlap>> 1.S215 1.S215 C Shift Assignments>> CA :: 55.676 CG2 :: 14.970 CD1 :: 6.248(S) 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 :: 8.556 HA :: 3.912 HB :: 1.901 HD11 :: 0.473 HD12 :: 0.473 HD13 :: 0.473 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 :: 122.891 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.G138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.28 L 0.25 D 0.14 F 0.1 R 0.08 Y 0.06 I 0.03 N 0.02 HN Overlap>> 1.S217 1.S217 C Shift Assignments>> CA :: 41.908 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.676 HA2 :: 3.740 HA3 :: 2.982 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.058 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.D139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 D 0.22 R 0.17 G 0.1 K 0.06 N 0.03 F 0.03 Y 0.02 C Shift Assignments>> CA :: 52.584 CB :: 43.062 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 :: 7.858 HA :: 4.753 HB2 :: 2.479 HB3 :: 2.194 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.516 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.I140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 M 0.22 C Shift Assignments>> CB :: 36.173 CD1 :: 12.410 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 :: 8.354 HA :: 4.473 HB :: 1.903 HG12 :: 1.529 HG13 :: 1.529 HG21 :: 1.032 HG22 :: 1.032 HG23 :: 1.032 HD11 :: 0.856 HD12 :: 0.856 HD13 :: 0.856 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.679 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.A141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 A 0.15 L 0.05 M 0.01 C Shift Assignments>> CA :: 47.968 CB :: 21.733 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.708 HA :: 4.862 HB1 :: 1.467 HB2 :: 1.467 HB3 :: 1.467 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.144 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.G142 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.888 HA2 :: 4.519 HA3 :: 3.634 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.272 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.E143 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.068 HA :: 4.577 HB2 :: 2.136 HB3 :: 2.136 HG2 :: 2.302 HG3 :: 2.302 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 :: 120.569 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.H144 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.I187 1.I187 H Shift Assignments>> H :: 8.478 HA :: 4.968 HB2 :: 3.628 HB3 :: 3.628 HD2 :: 7.568 HE1 :: 8.894 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 :: 124.275 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.T145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.85 T 0.14 C Shift Assignments>> CA :: 61.247 CB :: 65.181 CG2 :: 20.251 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 :: 9.031 HA :: 4.025 HB :: 3.294 HG21 :: 1.175 HG22 :: 1.175 HG23 :: 1.175 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 125.828 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.S146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.067 CB :: 60.51 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.077 HA :: 4.684 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 :: 124.154 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.F147 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.Q103 1.Q103 H Shift Assignments>> H :: 9.049 HA :: 4.022 HB2 :: 2.840 HB3 :: 2.589 HD1 :: 6.958 HD2 :: 6.958 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 :: 127.670 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.D148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 D 0.11 Y 0.08 F 0.05 E 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 52.584 CB :: 37.800 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.504 HA :: 4.422 HB3 :: 2.673 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.377 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.K149 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.89 L 0.07 K 0.01 M 0.01 C Shift Assignments>> CA :: 51.735 CB :: 30.162 CG :: 22.081 CD :: 26.152 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 :: 7.380 HA :: 4.487 HB2 :: 1.558 HB3 :: 1.558 HG2 :: 1.261 HG3 :: 1.261 HD2 :: 1.411 HD3 :: 1.411 HE2 :: 2.168(S) HE3 :: 2.168(S) 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 :: 119.137 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.L150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.64 A 0.15 N 0.1 D 0.04 L 0.01 M 0.01 H 0.01 HN Overlap>> 1.I232 1.I232 C Shift Assignments>> CA :: 50.502 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.886 HA :: 3.996 HB2 :: 1.446 HB3 :: 1.446 HD11 :: 0.812 HD12 :: 0.812 HD13 :: 0.812 HD21 :: 0.812 HD22 :: 0.812 HD23 :: 0.812 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 :: 120.614 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.P151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.59 G 0.32 H 0.03 R 0.01 M 0.01 C Shift Assignments>> CB :: 29.567 CD :: 48.343 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) FLAG polypeptide(L) 1.K152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 E 0.11 R 0.09 M 0.08 I 0.05 HN Overlap>> 1.Q119 1.Q119 C Shift Assignments>> CA :: 53.182 CB :: 31.487 CE :: 39.861 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 :: 8.076 HA :: 4.346 HG2 :: 1.614 HG3 :: 1.352 HD2 :: 1.740 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 :: 118.133 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.D153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 D 0.11 Y 0.08 F 0.05 E 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 52.584 CB :: 37.762 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 :: 7.982 HA :: 4.402 HB2 :: 2.803 HB3 :: 2.633 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.735 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.V154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 M 0.18 R 0.13 Q 0.12 V 0.11 E 0.1 H 0.09 I 0.01 C Shift Assignments>> CA :: 58.408 CB :: 32.617 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.987 HA :: 4.406 HB :: 2.076 HG11 :: 0.945 HG12 :: 0.945 HG13 :: 0.945 HG21 :: 0.945 HG22 :: 0.945 HG23 :: 0.945 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.266 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.M155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.38 H 0.2 Q 0.1 R 0.09 K 0.09 L 0.04 E 0.03 M 0.03 C Shift Assignments>> CA :: 51.183 CG :: 29.230 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 :: 8.444 HA :: 5.416 HB2 :: 2.050 HB3 :: 2.050 HG2 :: 2.432 HG3 :: 2.432 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 :: 124.950 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.A156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 G 0.45 M 0.03 L 0.01 HN Overlap>> 1.N221 1.N221 C Shift Assignments>> CA :: 48.379 CB :: 21.051 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.226 HA :: 4.693 HB1 :: 1.320 HB2 :: 1.320 HB3 :: 1.320 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.938 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.T157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 S 0.05 A 0.04 HN Overlap>> 1.K33 1.K33 C Shift Assignments>> CA :: 59.555 CB :: 68.575 CG2 :: 18.619 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 :: 8.554 HA :: 4.839 HB :: 3.818 HG21 :: 1.022 HG22 :: 1.022 HG23 :: 1.022 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.815 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.Y158 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 9.974 HA :: 4.435 HB2 :: 2.808 HB3 :: 2.501 HD1 :: 7.023 HD2 :: 7.023 HE1 :: 6.698 HE2 :: 6.698 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 :: 126.958 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.R159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.32 N 0.25 D 0.12 P 0.06 L 0.05 M 0.04 H 0.03 R 0.02 Q 0.01 K 0.01 Y 0.01 F 0.01 C Shift Assignments>> CA :: 51.933 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 :: 8.909 HA :: 5.444 HB2 :: 1.930 HB3 :: 1.930 HG2 :: 1.684 HG3 :: 1.684 HD2 :: 3.183 HD3 :: 3.183 HE :: 7.284 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 :: 121.721 NE :: 122.193 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.G160 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.910 HA2 :: 4.904 HA3 :: 4.484 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.921 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.T161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 A 0.05 C Shift Assignments>> CA :: 59.603 CB :: 69.909 CG2 :: 18.431 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 :: 9.110 HA :: 4.810 HB :: 3.235 HG21 :: 0.915 HG22 :: 0.915 HG23 :: 0.915 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 :: 126.813 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.A162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.95 L 0.04 C Shift Assignments>> CA :: 46.573 CB :: 20.959 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.137 HA :: 5.361 HB1 :: 0.904 HB2 :: 0.904 HB3 :: 0.904 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.111 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.F163 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.587 HA :: 5.538 HB2 :: 2.652 HB3 :: 2.652 HD1 :: 6.964 HD2 :: 6.964 HE1 :: 6.802 HE2 :: 6.802 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.349 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.G164 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 F 0.24 Y 0.16 I 0.11 N 0.09 L 0.08 K 0.04 C Shift Assignments>> CA :: 40.377(S) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.650 HA2 :: 4.210 HA3 :: 3.285 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.839 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.S165 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.684 HA :: 3.458 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 :: 116.037 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>> A 0.3 N 0.26 D 0.14 L 0.06 M 0.04 H 0.04 R 0.02 Q 0.02 K 0.02 Y 0.01 F 0.01 E 0.01 P 0.01 C Shift Assignments>> CA :: 52.584 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.718 HA :: 4.281 HB2 :: 2.978 HB3 :: 2.770 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.166 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.D167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 N 0.23 I 0.23 F 0.16 D 0.07 L 0.01 E 0.01 C Shift Assignments>> CB :: 38.948 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 :: 7.655 HA :: 4.666 HB2 :: 2.603 HB3 :: 2.366 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 :: 117.491 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.A168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 P 0.04 L 0.03 A 0.03 N 0.01 C Shift Assignments>> CA :: 47.485 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.585 HA :: 5.012 HB1 :: 1.379 HB2 :: 1.379 HB3 :: 1.379 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.834 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.G169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.29 G 0.06 K 0.06 D 0.05 F 0.04 Y 0.03 I 0.01 C Shift Assignments>> CA :: 43.257 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.472 HA2 :: 4.404 HA3 :: 4.051 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.133 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.G170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.29 G 0.07 K 0.05 D 0.05 F 0.04 Y 0.03 I 0.01 C Shift Assignments>> CA :: 43.310 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.229 HA2 :: 4.223 HA3 :: 3.781 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.542 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.K171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.29 P 0.23 N 0.21 D 0.1 L 0.03 M 0.03 H 0.02 R 0.01 Q 0.01 K 0.01 C Shift Assignments>> CA :: 51.355 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 :: 9.641 HA :: 5.129 HB2 :: 1.725 HB3 :: 1.725 HG2 :: 1.365 HG3 :: 1.365 HD2 :: 1.548 HD3 :: 1.548 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.322 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.L172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.7 A 0.12 N 0.08 D 0.03 L 0.01 C Shift Assignments>> CA :: 50.348 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 :: 7.764 HA :: 4.973 HG :: 1.175 HD11 :: 0.680 HD12 :: 0.680 HD13 :: 0.680 HD21 :: 0.420 HD22 :: 0.420 HD23 :: 0.420 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 :: 126.389 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.T173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.5 T 0.38 A 0.1 HN Overlap>> 1.A56 1.A56 C Shift Assignments>> CA :: 59.149 CB :: 67.449 CG2 :: 18.329 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 :: 8.321 HA :: 5.017 HB :: 3.849 HG21 :: 1.115 HG22 :: 1.115 HG23 :: 1.115 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 :: 123.553 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.Y174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 K 0.18 L 0.17 F 0.16 Y 0.1 I 0.06 N 0.04 R 0.02 C Shift Assignments>> CB :: 41.267 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 :: 9.367 HA :: 4.660 HB2 :: 2.813 HB3 :: 2.485 HD1 :: 6.345 HD2 :: 6.345 HE1 :: 6.257 HE2 :: 6.257 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 :: 129.583 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.T175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.51 A 0.4 S 0.08 HN Overlap>> 1.D177 1.D177 1.Q107 1.Q107 C Shift Assignments>> CA :: 58.216 CB :: 68.575 CG2 :: 18.353 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 :: 8.529 HA :: 5.388 HB :: 3.099 HG21 :: 0.972 HG22 :: 0.972 HG23 :: 0.972 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 :: 125.967 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.I176 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.81 I 0.18 HN Overlap>> 1.D83 1.D83 C Shift Assignments>> CA :: 58.006 CB :: 38.881 CG1 :: 21.372 CG2 :: 13.017 CD1 :: 13.026 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 :: 9.139 HA :: 4.382 HG12 :: 1.329 HG13 :: 1.329 HG21 :: -0.447(S) HG22 :: -0.447(S) HG23 :: -0.447(S) HD11 :: 0.662 HD12 :: 0.662 HD13 :: 0.662 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 :: 123.715 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.D177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.2 G 0.06 F 0.02 Y 0.02 L 0.02 HN Overlap>> 1.T175 1.Q107 1.T175 1.Q107 C Shift Assignments>> CA :: 49.089 CB :: 39.282 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 :: 8.501 HA :: 5.011 HB2 :: 2.923 HB3 :: 2.513 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.978 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.F178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 Q 0.2 K 0.16 E 0.16 V 0.14 P 0.03 I 0.02 Y 0.01 H 0.01 R 0.01 N 0.01 C Shift Assignments>> CB :: 34.588 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 :: 8.913 HA :: 3.993 HB2 :: 3.361 HB3 :: 3.098 HD1 :: 7.270 HD2 :: 7.270 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 :: 123.522 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.A179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.42 HN Overlap>> 1.L199 1.L199 C Shift Assignments>> CA :: 52.584 CB :: 15.666 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.487 HA :: 4.528 HB1 :: 1.579 HB2 :: 1.579 HB3 :: 1.579 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.061 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.A180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 G 0.1 M 0.09 C Shift Assignments>> CA :: 49.006 CB :: 16.933 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.162 HA :: 4.313 HB1 :: 1.302 HB2 :: 1.302 HB3 :: 1.302 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.710 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.K181 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.96 A 0.03 C Shift Assignments>> CA :: 54.783 CB :: 27.088 CG :: 23.499 CD :: 23.532(S) 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 :: 8.092 HA :: 3.457 HB2 :: 1.617 HB3 :: 1.617 HD2 :: 1.766 HD3 :: 1.766 HE2 :: 2.113(S) HE3 :: 2.113(S) 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 :: 114.996 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.Q182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.57 M 0.14 H 0.1 R 0.07 K 0.05 Q 0.03 E 0.01 C Shift Assignments>> CA :: 51.473 CB :: 31.585 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 :: 7.532 HA :: 5.304 HB2 :: 1.615 HB3 :: 1.615 HG2 :: 1.992 HG3 :: 1.992 HE21 :: 6.782 HE22 :: 6.354 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 :: 115.064 NE2 :: 111.478 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.G183 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.34 K 0.19 R 0.17 D 0.11 F 0.08 Y 0.05 I 0.02 N 0.01 G 0.01 C Shift Assignments>> CA :: 42.361 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.026 HA2 :: 5.376(S) HA3 :: 3.567 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.505 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.H184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 R 0.17 H 0.17 Q 0.15 K 0.13 E 0.04 P 0.03 M 0.02 C Shift Assignments>> CA :: 52.793 CB :: 27.906 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.508 HA :: 4.304 HB2 :: 3.358 HB3 :: 3.124 HD2 :: 6.080 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 :: 111.297 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.G185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.27 R 0.26 F 0.03 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> CA :: 44.212 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.160 HA2 :: 4.464 HA3 :: 4.117 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.398 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.K186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 M 0.2 K 0.18 V 0.17 P 0.06 E 0.03 R 0.02 H 0.02 C Shift Assignments>> CB :: 33.642 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 :: 9.170 HA :: 4.925 HB2 :: 1.894 HB3 :: 1.712 HG2 :: 1.283 HG3 :: 1.283 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 :: 122.690 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.I187 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.H144 1.H144 H Shift Assignments>> H :: 8.444 HA :: 4.626 HG12 :: 1.283 HG13 :: 1.283 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 :: 124.320 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.E188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 M 0.17 K 0.12 Q 0.1 V 0.1 I 0.05 Y 0.04 N 0.02 P 0.01 F 0.01 C Shift Assignments>> CG :: 35.155 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 :: 8.590 HA :: 4.650 HB2 :: 1.586 HB3 :: 1.586 HG2 :: 2.095 HG3 :: 1.878 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.575 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.H189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 K 0.31 R 0.11 Q 0.03 M 0.03 H 0.02 I 0.01 C Shift Assignments>> CA :: 54.623 CB :: 24.997 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 :: 8.726 HA :: 4.055 HB2 :: 3.734 HB3 :: 3.411 HD2 :: 7.153 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 :: 111.381 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.L190 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 9.715 HA :: 4.379 HB2 :: 1.621 HB3 :: 1.621 HG :: 1.259 HD11 :: 0.601 HD12 :: 0.601 HD13 :: 0.601 HD21 :: 0.601 HD22 :: 0.601 HD23 :: 0.601 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 :: 124.648 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.K191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 K 0.27 V 0.1 A 0.08 R 0.07 L 0.06 C Shift Assignments>> CA :: 55.815 CB :: 30.201 CG :: 22.714 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 :: 10.099 HA :: 3.736 HB2 :: 1.641 HB3 :: 1.641 HG2 :: 1.437 HG3 :: 1.437 HE2 :: 2.950 HE3 :: 2.950 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 :: 123.618 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.S192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.98 S 0.01 C Shift Assignments>> CA :: 51.974 CB :: 60.005 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.991 HA :: 4.743 HB2 :: 3.575 HB3 :: 3.575 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 :: 115.071 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.P193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.63 G 0.28 H 0.03 R 0.01 M 0.01 C Shift Assignments>> CB :: 29.607 CD :: 48.395 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) FLAG polypeptide(L) 1.E194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.31 Q 0.26 K 0.2 E 0.08 H 0.05 R 0.03 N 0.02 Y 0.01 C Shift Assignments>> CA :: 54.185 CG :: 34.170 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 :: 8.213 HA :: 3.063 HB2 :: 1.676 HB3 :: 1.410 HG2 :: 2.011 HG3 :: 1.887 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 :: 114.055 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.L195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.99 C Shift Assignments>> CA :: 51.361 CB :: 38.950 CD1 :: 23.203 CD2 :: 19.303 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 :: 7.082 HA :: 4.027 HB2 :: 1.407 HB3 :: 1.407 HG :: 1.145 HD11 :: 0.708 HD12 :: 0.708 HD13 :: 0.708 HD21 :: 0.187 HD22 :: 0.187 HD23 :: 0.187 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 :: 113.898 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.N196 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.060 HA :: 4.638 HB2 :: 2.818 HB3 :: 2.818 HD22 :: 6.668 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.196 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.V197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.11 E 0.11 K 0.11 Q 0.1 Y 0.09 H 0.09 F 0.08 M 0.08 S 0.06 L 0.06 D 0.02 I 0.01 V 0.01 C Shift Assignments>> CA :: 57.176 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 :: 7.244 HA :: 4.540 HB :: 2.267 HG11 :: 0.743 HG12 :: 0.743 HG13 :: 0.743 HG21 :: 0.565 HG22 :: 0.565 HG23 :: 0.565 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 113.621 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.D198 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.881 HA :: 4.894 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 :: 118.852 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.L199 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.A179 1.A179 H Shift Assignments>> H :: 8.498 HA :: 4.317 HG :: 1.038 HD11 :: 0.301 HD12 :: 0.301 HD13 :: 0.301 HD21 :: 0.111 HD22 :: 0.111 HD23 :: 0.111 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 :: 124.078 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.A200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.1 C Shift Assignments>> CA :: 50.044 CB :: 17.985 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.386 HA :: 4.295 HB1 :: 1.527 HB2 :: 1.527 HB3 :: 1.527 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.315 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.V201 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.28 E 0.15 K 0.14 Q 0.11 R 0.11 H 0.1 V 0.03 M 0.01 P 0.01 L 0.01 C Shift Assignments>> CA :: 60.004 CB :: 28.863 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 :: 8.007 HA :: 4.577 HB :: 1.772 HG11 :: 0.742 HG12 :: 0.742 HG13 :: 0.742 HG21 :: 0.742 HG22 :: 0.742 HG23 :: 0.742 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 :: 119.409 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.A202 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.38 G 0.36 A 0.13 N 0.05 D 0.02 L 0.01 C Shift Assignments>> CA :: 48.200 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.789 HA :: 4.630 HB1 :: 1.324 HB2 :: 1.324 HB3 :: 1.324 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.745 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.Y203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 Y 0.17 E 0.17 F 0.1 D 0.07 M 0.06 I 0.02 K 0.02 L 0.01 HN Overlap>> 1.A111 1.N65 1.A111 1.N65 C Shift Assignments>> CA :: 54.648 CB :: 37.315 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 :: 8.522 HA :: 5.391 HB2 :: 3.205 HB3 :: 2.745 HD1 :: 7.366 HD2 :: 7.366 HE1 :: 6.873 HE2 :: 6.873 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.786 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 0.99 C Shift Assignments>> CB :: 36.807 CG1 :: 24.556 CD1 :: 10.301 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 :: 8.209 HA :: 4.393 HB :: 1.667 HG12 :: 1.388 HG13 :: 1.388 HG21 :: 0.736 HG22 :: 0.736 HG23 :: 0.736 HD11 :: 1.117 HD12 :: 1.117 HD13 :: 1.117 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.602 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.K205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.47 A 0.21 N 0.14 D 0.06 L 0.02 M 0.01 H 0.01 C Shift Assignments>> CA :: 50.844 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 :: 9.340 HA :: 4.756 HB2 :: 1.379 HB3 :: 1.379 HG2 :: 1.524 HG3 :: 1.524 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 :: 127.960 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.P206 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.D207 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 G 0.17 D 0.1 Y 0.02 F 0.02 C Shift Assignments>> CA :: 48.789 CB :: 38.377 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 :: 8.436 HA :: 4.692 HB2 :: 3.239 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 :: 123.098 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.E208 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 R 0.22 Q 0.2 M 0.05 E 0.01 C Shift Assignments>> CA :: 56.123 CB :: 25.794 CG :: 33.112 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 :: 8.880 HA :: 3.994 HB2 :: 1.995 HB3 :: 1.995 HG2 :: 2.282 HG3 :: 2.282 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 :: 119.042 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.K209 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Suspicious N Shifts: Consistent H Shift Assignments>> H :: 7.681 HA :: 4.141 HB2 :: 0.857(S) HB3 :: 0.857(S) HG2 :: 1.179 HG3 :: 1.179 HD2 :: 1.329 HD3 :: 1.329 HE2 :: 2.970 HE3 :: 2.970 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 :: 119.252 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.H210 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 K 0.21 M 0.1 A 0.03 R 0.02 C Shift Assignments>> CA :: 54.205 CB :: 23.439(A) 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 :: 8.177 HA :: 3.825 HB2 :: 3.709 HB3 :: 3.531 HD2 :: 7.157 HE1 :: 8.399 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 :: 112.758 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.H211 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.82 L 0.09 R 0.02 K 0.02 H 0.01 C Shift Assignments>> CA :: 50.450 CB :: 25.703 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 :: 8.758 HA :: 5.041 HB2 :: 3.383 HB3 :: 3.035 HD2 :: 6.943 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 :: 119.552 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.A212 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.07 C Shift Assignments>> CA :: 49.886 CB :: 18.860 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.556 HA :: 4.712 HB1 :: 1.357 HB2 :: 1.357 HB3 :: 1.357 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.780 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.V213 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 K 0.22 M 0.21 E 0.11 V 0.05 R 0.04 H 0.04 Y 0.01 HN Overlap>> 1.L230 1.L230 C Shift Assignments>> CA :: 57.486 CB :: 33.938 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 :: 9.338 HA :: 5.074 HB :: 2.137 HG11 :: 0.832 HG12 :: 0.832 HG13 :: 0.832 HG21 :: 0.832 HG22 :: 0.832 HG23 :: 0.832 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 :: 124.742 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.I214 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 I 0.31 A 0.09 C Shift Assignments>> CG2 :: 15.948 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 :: 8.962 HA :: 4.434 HG12 :: 1.408 HG13 :: 1.408 HG21 :: 0.770 HG22 :: 0.770 HG23 :: 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 :: 122.881 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.S215 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.62 P 0.37 HN Overlap>> 1.I137 1.I137 C Shift Assignments>> CA :: 53.23 CB :: 62.077 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.558 HA :: 5.001 HB2 :: 3.683 HB3 :: 3.683 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 :: 122.891 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.G216 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.31 K 0.11 D 0.08 F 0.06 Y 0.04 G 0.03 I 0.01 C Shift Assignments>> CA :: 42.816 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.282 HA2 :: 4.515 HA3 :: 3.473 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.899 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.S217 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.12 M 0.12 Q 0.11 K 0.1 L 0.09 R 0.09 E 0.07 Y 0.06 F 0.05 D 0.05 S 0.03 N 0.01 A 0.01 HN Overlap>> 1.G138 1.G138 C Shift Assignments>> CA :: 56.266 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.673 HA :: 5.127 HB2 :: 3.943 HB3 :: 3.751 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 :: 117.164 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.V218 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.12 K 0.11 H 0.11 R 0.11 M 0.1 E 0.08 L 0.08 Y 0.07 F 0.06 S 0.04 D 0.03 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.637 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 :: 7.451 HA :: 5.128 HB :: 1.727 HG11 :: 0.743 HG12 :: 0.743 HG13 :: 0.743 HG21 :: 0.743 HG22 :: 0.743 HG23 :: 0.743 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.826 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.L219 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.66 A 0.14 N 0.09 D 0.04 L 0.01 M 0.01 H 0.01 C Shift Assignments>> CA :: 50.450 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 :: 9.022 HA :: 5.387 HB2 :: 1.699 HB3 :: 1.699 HG :: 1.395 HD11 :: 0.770 HD12 :: 0.770 HD13 :: 0.770 HD21 :: 0.578 HD22 :: 0.578 HD23 :: 0.578 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.820 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.Y220 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.816 HA :: 4.834 HB2 :: 2.809 HB3 :: 2.809 HD1 :: 6.999 HD2 :: 6.999 HE1 :: 6.815 HE2 :: 6.815 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.249 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.N221 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 M 0.07 Y 0.05 E 0.05 D 0.04 F 0.02 K 0.01 HN Overlap>> 1.A156 1.A156 C Shift Assignments>> CA :: 51.647 CB :: 36.640 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 :: 9.191 HA :: 4.048 HB2 :: 2.838 HB3 :: 2.395 HD21 :: 7.133 HD22 :: 6.486 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 :: 129.865 ND2 :: 112.598 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.Q222 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.23 M 0.12 Q 0.02 V 0.01 C Shift Assignments>> CA :: 55.075 CB :: 24.663 CG :: 31.769 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 :: 8.468 HA :: 3.671 HB2 :: 2.250 HB3 :: 2.250 HG2 :: 2.369 HG3 :: 2.369 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 :: 108.367 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.D223 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.797 HA :: 4.986 HB2 :: 2.746 HB3 :: 2.746 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 :: 120.842 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.E224 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 R 0.29 Q 0.26 M 0.04 E 0.01 HN Overlap>> 1.E43 1.E43 1.T96 1.T96 C Shift Assignments>> CA :: 54.703 CB :: 26.357 CG :: 32.966 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 :: 8.731 HA :: 4.690 HB2 :: 2.251 HB3 :: 2.106 HG2 :: 2.551 HG3 :: 2.402 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 :: 124.249 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.K225 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 I 0.19 R 0.13 P 0.06 Q 0.03 V 0.01 H 0.01 M 0.01 C Shift Assignments>> CD :: 25.191 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 :: 8.730 HA :: 4.754 HG2 :: 1.439 HG3 :: 1.439 HD2 :: 1.728 HD3 :: 1.728 HE2 :: 2.881 HE3 :: 2.881 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 :: 126.784 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.G226 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.32 K 0.21 R 0.15 D 0.11 F 0.08 Y 0.05 I 0.02 N 0.01 G 0.01 C Shift Assignments>> CA :: 42.264 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.683 HA2 :: 5.567(S) HA3 :: 3.819 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.140 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.S227 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N65 1.N65 C Shift Assignments>> CA :: 54.373 CB :: 63.963 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.672 HA :: 5.564 HB2 :: 3.934 HB3 :: 3.934 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 :: 117.767 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.Y228 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.E120 1.E120 H Shift Assignments>> H :: 9.073 HA :: 5.519 HB2 :: 2.738 HB3 :: 2.513 HD1 :: 6.695 HD2 :: 6.695 HE1 :: 6.456 HE2 :: 6.456 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 :: 118.324 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.S229 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.18 N 0.15 A 0.13 L 0.1 M 0.08 H 0.07 Q 0.05 R 0.05 K 0.04 Y 0.03 E 0.02 F 0.02 HN Overlap>> 1.S243 1.S243 C Shift Assignments>> CA :: 54.131 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 :: 5.209 HB2 :: 3.732 HB3 :: 3.732 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 :: 116.118 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.L230 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.98 V 0.01 HN Overlap>> 1.V213 1.V213 C Shift Assignments>> CG :: 23.491 CD1 :: 20.842 CD2 :: 21.822 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 :: 9.372 HA :: 4.803 HB2 :: 1.294 HB3 :: 1.294 HD11 :: 0.244 HD12 :: 0.244 HD13 :: 0.244 HD21 :: -0.329(S) HD22 :: -0.329(S) HD23 :: -0.329(S) 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 :: 124.803 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.G231 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 D 0.2 L 0.19 F 0.14 Y 0.09 I 0.05 R 0.04 N 0.03 C Shift Assignments>> CA :: 41.468 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.080 HA2 :: 4.776 HA3 :: 3.528 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.611 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.I232 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 M 0.21 HN Overlap>> 1.L150 1.L150 C Shift Assignments>> CD1 :: 11.919 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 6.849 HA :: 4.742 HB :: 1.442 HG12 :: 1.114 HG13 :: 1.114 HG21 :: 0.826 HG22 :: 0.826 HG23 :: 0.826 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.566 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.F233 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 9.569 HA :: 4.979 HB2 :: 2.891 HB3 :: 2.345 HD1 :: 6.668 HD2 :: 6.668 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 129.256 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.G234 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 F 0.24 Y 0.16 I 0.11 N 0.09 L 0.08 K 0.04 C Shift Assignments>> CA :: 40.377(S) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.734 HA2 :: 4.488 HA3 :: 3.327 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.294 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.E235 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 Q 0.26 R 0.25 M 0.03 E 0.02 C Shift Assignments>> CA :: 56.466 CB :: 26.256 CG :: 33.142 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 :: 9.198 HA :: 4.111 HB2 :: 2.076 HB3 :: 2.076 HG2 :: 2.426 HG3 :: 2.249 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 :: 125.813 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.K236 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.147 HA :: 4.373 HB2 :: 1.962 HB3 :: 1.962 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 :: 117.810 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.A237 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.45 G 0.04 C Shift Assignments>> CA :: 49.762 CB :: 14.720 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.685 HA :: 3.902 HB1 :: 1.176 HB2 :: 1.176 HB3 :: 1.176 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.704 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.Q238 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 9.312 HA :: 4.049 HB2 :: 1.907 HB3 :: 1.907 HG2 :: 2.404 HG3 :: 2.404 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 :: 118.059 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.E239 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.785 HA :: 5.531 HB2 :: 1.943 HB3 :: 1.943 HG2 :: 2.337 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 :: 116.914 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.V240 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 I 0.19 C Shift Assignments>> CA :: 55.582 CG1 :: 15.624(S) CG2 :: 17.904 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 :: 8.501 HA :: 5.655 HB :: 1.579 HG11 :: 0.150 HG12 :: 0.150 HG13 :: 0.150 HG21 :: 0.037 HG22 :: 0.037 HG23 :: 0.037 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 :: 110.588 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.A241 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.07 G 0.02 C Shift Assignments>> CA :: 49.361 CB :: 18.196 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.463 HA :: 5.014 HB1 :: 1.146 HB2 :: 1.146 HB3 :: 1.146 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.125 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.G242 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 9.421 HA2 :: 5.161 HA3 :: 4.076 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.036 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.S243 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.S229 1.S229 H Shift Assignments>> H :: 8.929 HA :: 5.331 HB2 :: 3.941 HB3 :: 3.803 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 :: 116.113 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.A244 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 P 0.18 A 0.09 N 0.03 L 0.02 D 0.01 C Shift Assignments>> CA :: 47.883 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.218 HA :: 5.221 HB1 :: 1.123 HB2 :: 1.123 HB3 :: 1.123 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.635 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.E245 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 9.194 HA :: 4.869 HB2 :: 1.936 HB3 :: 1.936 HG2 :: 2.134 HG3 :: 2.134 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 :: 123.487 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.V246 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.14 Y 0.13 S 0.13 E 0.1 R 0.08 K 0.07 Q 0.06 H 0.06 M 0.05 I 0.03 L 0.03 V 0.02 T 0.02 D 0.01 C Shift Assignments>> CA :: 58.286 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 :: 8.531 HA :: 4.518 HB :: 1.728 HG11 :: 0.770 HG12 :: 0.770 HG13 :: 0.770 HG21 :: 0.770 HG22 :: 0.770 HG23 :: 0.770 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 :: 123.347 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.E247 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 P 0.19 R 0.19 I 0.18 Q 0.06 K 0.04 H 0.03 E 0.01 C Shift Assignments>> CB :: 26.744 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 :: 9.132 HA :: 4.368 HB2 :: 1.935 HB3 :: 1.822 HG2 :: 2.221 HG3 :: 2.221 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 129.243 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.T248 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 T 0.4 C Shift Assignments>> CA :: 56.859 CB :: 69.171 CG2 :: 19.568 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 :: 7.827 HA :: 4.749 HB :: 4.309 HG21 :: 0.736 HG22 :: 0.736 HG23 :: 0.736 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 :: 114.228 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.A249 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.46 C Shift Assignments>> CA :: 51.970 CB :: 15.797 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.148 HA :: 4.174 HB1 :: 1.456 HB2 :: 1.456 HB3 :: 1.456 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.341 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.N250 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 P 0.24 G 0.1 M 0.07 Y 0.02 E 0.01 K 0.01 D 0.01 F 0.01 C Shift Assignments>> CA :: 49.198 CB :: 35.976 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 :: 7.974 HA :: 4.953 HB2 :: 2.942 HB3 :: 2.741 HD21 :: 7.586 HD22 :: 6.965 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.358 ND2 :: 113.363 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.G251 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 D 0.2 L 0.19 F 0.14 Y 0.09 I 0.05 R 0.04 N 0.03 C Shift Assignments>> CA :: 41.435 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.510 HA2 :: 4.492 HA3 :: 3.853 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.692 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.I252 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CB :: 35.653 CG1 :: 25.737 CG2 :: 15.153 CD1 :: 9.879 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 :: 8.465 HA :: 4.521 HB :: 1.674 HG12 :: 1.528 HG13 :: 1.058 HG21 :: 0.509 HG22 :: 0.509 HG23 :: 0.509 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 :: 122.043 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.H253 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 9.311 HA :: 4.861 HB2 :: 2.864 HB3 :: 2.864 HD2 :: 7.248 HE1 :: 8.529 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 :: 126.617 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.H254 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.29 N 0.25 D 0.14 L 0.06 M 0.05 H 0.04 R 0.02 Q 0.02 K 0.02 Y 0.01 F 0.01 E 0.01 C Shift Assignments>> CA :: 52.781 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 :: 8.820 HA :: 5.305 HB2 :: 3.205 HB3 :: 3.205 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 122.665 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.I255 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.A259 1.A259 H Shift Assignments>> H :: 9.047 HA :: 4.651 HB :: 1.578 HG12 :: 1.201 HG13 :: 1.201 HG21 :: 0.655 HG22 :: 0.655 HG23 :: 0.655 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 :: 123.958 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.G256 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Suspicious N Shifts: Consistent H Shift Assignments>> H :: 9.339 HA2 :: 3.816 HA3 :: 2.267(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.022 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.L257 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.890 HA :: 4.853 HB2 :: 1.344 HB3 :: 1.344 HG :: 0.855 HD11 :: 0.682 HD12 :: 0.682 HD13 :: 0.682 HD21 :: 0.474 HD22 :: 0.474 HD23 :: 0.474 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 :: 121.441 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.A258 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.06 C Shift Assignments>> CA :: 49.678 CB :: 19.561 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.982 HA :: 4.668 HB1 :: 1.094 HB2 :: 1.094 HB3 :: 1.094 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.234 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.A259 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.I255 1.D83 1.I255 1.D83 H Shift Assignments>> H :: 9.117 HA :: 4.790 HB1 :: 1.002 HB2 :: 1.002 HB3 :: 1.002 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.901 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.K260 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.32 N 0.25 D 0.12 P 0.08 L 0.05 M 0.03 H 0.03 R 0.02 Q 0.01 K 0.01 Y 0.01 F 0.01 C Shift Assignments>> CA :: 51.818 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 :: 8.452 HA :: 5.914(S) HB2 :: 1.729 HB3 :: 1.729 HG2 :: 1.552 HG3 :: 1.552 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 :: 116.464 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.Q261 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.757 HA :: 4.464 HB2 :: 1.811 HB3 :: 1.811 HG2 :: 2.250 HG3 :: 2.250 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 129.579 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) ########################################################################### Overall Results: #Consistent: 240 #Clerical: 0 #Suspicious: 13 #Anomalous: 1 #Mistyped: 7 #Indeterminable: 0 Typing Results: #Consistent: 183 #Suspicious: 0 #Mistyped: 7 #Indeterminable: 71 Shift Relative Order (SRO) Results: #Consistent: 261 #Suspicious: 0 C Shift Results: #Consistent: 357 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 1 H Shift Results: #Consistent:1461 #Duplicate: 0 #Unknown: 0 #Suspicious: 22 #Anomalous: 0 N Shift Results: #Consistent: 258 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.D44 H = 10.243(S), Expected = 8.33, Std = 0.5700, ChiSquare = 7.9038e-04 1.L54 HD21 = -0.279(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.0668e-04 1.L54 HD22 = -0.279(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.0668e-04 1.L54 HD23 = -0.279(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.0668e-04 1.G64 Typing: Mistyped 1.G64 CA = 39.885(S), Expected = 45.33, Std = 1.4200, ChiSquare = 1.2582e-04 1.N70 Typing: Mistyped 1.T96 Typing: Mistyped 1.T96 CB = 59.719(S), Expected = 69.64, Std = 1.7000, ChiSquare = 5.3507e-09 1.K106 H = 5.945(S), Expected = 8.22, Std = 0.6400, ChiSquare = 3.7843e-04 1.S110 HB3 = 2.232(S), Expected = 3.87, Std = 0.3100, ChiSquare = 1.2648e-07 1.I137 CD1 = 6.248(S), Expected = 13.41, Std = 1.9100, ChiSquare = 1.7702e-04 1.K149 HE2 = 2.168(S), Expected = 2.93, Std = 0.2000, ChiSquare = 1.3897e-04 1.K149 HE3 = 2.168(S), Expected = 2.93, Std = 0.2000, ChiSquare = 1.3897e-04 1.G164 Typing: Mistyped 1.G164 CA = 40.377(S), Expected = 45.33, Std = 1.4200, ChiSquare = 4.8660e-04 1.I176 HG21 = -0.447(S), Expected = 0.80, Std = 0.2900, ChiSquare = 1.7080e-05 1.I176 HG22 = -0.447(S), Expected = 0.80, Std = 0.2900, ChiSquare = 1.7080e-05 1.I176 HG23 = -0.447(S), Expected = 0.80, Std = 0.2900, ChiSquare = 1.7080e-05 1.K181 Typing: Mistyped 1.K181 CD = 23.532(S), Expected = 28.78, Std = 1.3900, ChiSquare = 1.5966e-04 1.K181 HE2 = 2.113(S), Expected = 2.93, Std = 0.2000, ChiSquare = 4.4077e-05 1.K181 HE3 = 2.113(S), Expected = 2.93, Std = 0.2000, ChiSquare = 4.4077e-05 1.G183 HA2 = 5.376(S), Expected = 3.95, Std = 0.4000, ChiSquare = 3.6386e-04 1.K209 HB2 = 0.857(S), Expected = 1.79, Std = 0.2500, ChiSquare = 1.8997e-04 1.K209 HB3 = 0.857(S), Expected = 1.78, Std = 0.2600, ChiSquare = 3.8523e-04 1.H210 CB = 23.439(A), Expected = 29.95, Std = 2.1500, ChiSquare = 2.4588e-03 1.G226 HA2 = 5.567(S), Expected = 3.95, Std = 0.4000, ChiSquare = 5.2884e-05 1.L230 HD21 = -0.329(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.0054e-04 1.L230 HD22 = -0.329(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.0054e-04 1.L230 HD23 = -0.329(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.0054e-04 1.G234 Typing: Mistyped 1.G234 CA = 40.377(S), Expected = 45.33, Std = 1.4200, ChiSquare = 4.8660e-04 1.V240 Typing: Mistyped 1.V240 CG1 = 15.624(S), Expected = 21.38, Std = 1.5300, ChiSquare = 1.6850e-04 1.G256 HA3 = 2.267(S), Expected = 3.93, Std = 0.4000, ChiSquare = 3.2175e-05 1.K260 HA = 5.914(S), Expected = 4.28, Std = 0.4500, ChiSquare = 2.8220e-04