Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 FLAG polypeptide(L) 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.74 A 0.21 I 0.03 C Shift Assignments>> C :: 173.018 CA :: 55.867 CB :: 35.319 CG :: 31.636 CE :: 16.997 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 3.686 HB2 :: 1.799 HB3 :: 1.799 HG2 :: 2.388 HG3 :: 2.388 HE1 :: 1.901 HE2 :: 1.901 HE3 :: 1.901 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) FLAG polypeptide(L) 1.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 R 0.38 G 0.02 M 0.02 C Shift Assignments>> C :: 175.948 CA :: 53.978 CB :: 35.985 CG :: 25.076 CD :: 29.357 CE :: 42.093 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 :: 7.540 HA :: 4.729 HB2 :: 1.329 HB3 :: 1.329 HG2 :: 1.096 HG3 :: 1.188 HD2 :: 1.488 HD3 :: 1.488 HE2 :: 2.822 HE3 :: 2.822 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.764 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.018 CA :: 66.598 CB :: 31.218 CG1 :: 21.648 CG2 :: 21.588 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 :: 8.738 HA :: 2.800 HB :: 2.000 HG11 :: 0.817 HG12 :: 0.817 HG13 :: 0.817 HG21 :: 0.001 HG22 :: 0.001 HG23 :: 0.001 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 :: 120.055 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 L 0.22 M 0.12 K 0.01 C Shift Assignments>> C :: 174.117 CA :: 50.358 CB :: 22.137 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.584 HA :: 4.223 HB1 :: 1.247 HB2 :: 1.247 HB3 :: 1.247 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.800 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.33 M 0.05 G 0.01 C Shift Assignments>> C :: 175.260 CA :: 57.700 CB :: 32.400 CG :: 25.032 CD :: 29.543 CE :: 42.208 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 :: 8.596 HA :: 3.793 HB2 :: 1.708 HB3 :: 1.886 HG2 :: 1.347 HG3 :: 1.427 HD2 :: 1.661 HD3 :: 1.565 HE2 :: 2.758 HE3 :: 2.758 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 :: 118.708 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.31 E 0.23 F 0.2 I 0.12 N 0.03 M 0.03 D 0.02 K 0.01 L 0.01 C Shift Assignments>> C :: 173.331 CA :: 57.508 CB :: 37.604 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 :: 8.679 HA :: 4.040 HB2 :: 2.975 HB3 :: 3.250 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 :: 115.415 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 R 0.26 A 0.06 G 0.04 K 0.01 C Shift Assignments>> C :: 175.906 CA :: 53.509 CB :: 42.419 CG :: 26.706 CD1 :: 27.598 CD2 :: 23.280 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 :: 7.376 HA :: 4.689 HB2 :: 1.194 HB3 :: 1.546 HG :: 1.458 HD11 :: 0.793 HD12 :: 0.793 HD13 :: 0.793 HD21 :: 0.730 HD22 :: 0.730 HD23 :: 0.730 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.619 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.244 CA :: 62.028 CB :: 31.515 CG1 :: 21.973 CG2 :: 20.504 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.646 HA :: 4.397 HB :: 1.623 HG11 :: 0.640 HG12 :: 0.640 HG13 :: 0.640 HG21 :: 0.511 HG22 :: 0.511 HG23 :: 0.511 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.164 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.156 CA :: 60.614 CB :: 33.985 CG1 :: 21.828 CG2 :: 22.260 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 :: 8.607 HA :: 4.281 HB :: 1.936 HG11 :: 1.014 HG12 :: 1.014 HG13 :: 1.014 HG21 :: 0.776 HG22 :: 0.776 HG23 :: 0.776 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 :: 134.014 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S43 1.S43 C Shift Assignments>> C :: 173.544 CA :: 56.533 CB :: 63.385 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.684 HA :: 5.736 HB2 :: 3.512 HB3 :: 3.512 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.492 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.44 A 0.01 C Shift Assignments>> C :: 174.843 CA :: 53.770 CB :: 47.469 CG :: 26.917 CD1 :: 25.178 CD2 :: 25.574 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 :: 9.939 HA :: 5.133 HB2 :: 1.722 HB3 :: 1.754 HG :: 1.757 HD11 :: 0.757 HD12 :: 0.757 HD13 :: 0.757 HD21 :: 0.744 HD22 :: 0.744 HD23 :: 0.744 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 :: 128.460 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.1 L 0.07 C Shift Assignments>> C :: 176.974 CA :: 50.231 CB :: 21.270 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.770 HA :: 4.830 HB1 :: 1.148 HB2 :: 1.148 HB3 :: 1.148 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.500 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.Y13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.G37 1.G37 C Shift Assignments>> C :: 173.952 CA :: 56.390 CB :: 41.159 CD1 :: 132.482 CE1 :: 118.042 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 :: 8.749 HA :: 5.797 HB2 :: 2.949 HB3 :: 3.060 HD1 :: 6.624 HD2 :: 6.624 HE1 :: 6.618 HE2 :: 6.618 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 :: 117.737 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 E 0.18 Q 0.18 K 0.01 HN Overlap>> 1.Q70 1.Q70 C Shift Assignments>> C :: 174.492 CA :: 55.626 CB :: 32.734 CG :: 34.380 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 :: 8.492 HA :: 4.611 HB2 :: 1.742 HB3 :: 2.132 HG2 :: 2.293 HG3 :: 2.495 HE21 :: 7.663 HE22 :: 6.783 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 :: 116.962 NE2 :: 114.092 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 C Shift Assignments>> C :: 173.389 CA :: 59.711 CB :: 33.639 CG1 :: 20.609 CG2 :: 22.812 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 :: 8.403 HA :: 4.614 HB :: 1.464 HG11 :: 0.556 HG12 :: 0.556 HG13 :: 0.556 HG21 :: 0.254 HG22 :: 0.254 HG23 :: 0.254 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.203 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 G 0.24 R 0.13 C Shift Assignments>> C :: 176.585 CA :: 53.453 CB :: 34.968 CG :: 29.011 CD :: 43.037 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 :: 8.584 HA :: 5.584 HB2 :: 1.303 HB3 :: 1.541 HG2 :: 1.178 HG3 :: 1.405 HD2 :: 2.957 HD3 :: 2.957 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.883 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.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.860 CA :: 61.073 CB :: 69.823 CG2 :: 23.425 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 :: 8.270 HA :: 4.573 HB :: 4.748 HG21 :: 1.098 HG22 :: 1.098 HG23 :: 1.098 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.730 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 E 0.43 K 0.03 M 0.02 C Shift Assignments>> C :: 176.683 CA :: 59.866 CB :: 29.752 CG :: 37.295 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 :: 9.147 HA :: 3.770 HB2 :: 2.052 HB3 :: 2.052 HG2 :: 2.199 HG3 :: 2.334 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 :: 122.491 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.26 L 0.13 F 0.1 Y 0.09 K 0.04 C Shift Assignments>> C :: 176.670 CA :: 53.833 CB :: 40.180 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 :: 7.900 HA :: 4.456 HB2 :: 2.672 HB3 :: 2.672 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.200 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 R 0.02 HN Overlap>> 1.G69 1.G69 C Shift Assignments>> C :: 173.987 CA :: 45.463 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.149 HA2 :: 4.145 HA3 :: 3.531 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.869 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.265 CA :: 63.368 CB :: 31.614 CG1 :: 20.881 CG2 :: 22.194 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 :: 7.261 HA :: 3.645 HB :: 1.903 HG11 :: 0.720 HG12 :: 0.720 HG13 :: 0.720 HG21 :: 0.651 HG22 :: 0.651 HG23 :: 0.651 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 :: 124.283 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 R 0.19 G 0.02 K 0.01 C Shift Assignments>> C :: 176.660 CA :: 55.724 CB :: 42.272 CG :: 27.044 CD1 :: 24.656 CD2 :: 26.143 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 :: 4.333 HB2 :: 1.239 HB3 :: 1.787 HG :: 1.269 HD11 :: 0.783 HD12 :: 0.783 HD13 :: 0.783 HD21 :: 0.712 HD22 :: 0.712 HD23 :: 0.712 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 :: 128.533 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.265 CA :: 62.348 CB :: 33.383 CG1 :: 21.903 CG2 :: 20.282 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 :: 8.887 HA :: 4.237 HB :: 2.006 HG11 :: 0.828 HG12 :: 0.828 HG13 :: 0.828 HG21 :: 0.724 HG22 :: 0.724 HG23 :: 0.724 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.041 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 R 0.24 G 0.15 D 0.12 K 0.04 F 0.03 Y 0.02 N 0.01 C Shift Assignments>> C :: 173.160 CA :: 53.893 CB :: 43.680 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 :: 7.480 HA :: 4.763 HB2 :: 2.317 HB3 :: 2.850 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 :: 117.159 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 E 0.2 Q 0.14 K 0.01 C Shift Assignments>> C :: 174.586 CA :: 55.475 CB :: 33.033 CG :: 34.653 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 :: 8.187 HA :: 4.491 HB2 :: 1.991 HB3 :: 2.045 HG2 :: 1.867 HG3 :: 1.989 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 :: 118.821 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.S26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.I139 1.I139 C Shift Assignments>> CA :: 56.490 CB :: 64.977 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.003 HA :: 4.782 HB2 :: 3.469 HB3 :: 3.881 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.346 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.P27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.016 CA :: 61.943 CB :: 32.492 CG :: 26.560 CD :: 50.440 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.633 HB2 :: 2.030 HB3 :: 2.130 HG2 :: 1.759 HG3 :: 1.922 HD2 :: 3.539 HD3 :: 3.828 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.069 CA :: 65.888 CB :: 31.220 CG1 :: 21.037 CG2 :: 21.943 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 :: 8.383 HA :: 3.385 HB :: 1.878 HG11 :: 0.802 HG12 :: 0.802 HG13 :: 0.802 HG21 :: 0.844 HG22 :: 0.844 HG23 :: 0.844 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 :: 119.349 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.535 CA :: 58.609 CB :: 63.198 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.365 HA :: 4.101 HB2 :: 3.731 HB3 :: 3.936 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 109.365 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.11 C Shift Assignments>> CA :: 50.789 CB :: 18.608 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.457 HA :: 4.548 HB1 :: 1.105 HB2 :: 1.105 HB3 :: 1.105 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.056 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.841 CA :: 62.996 CB :: 32.696 CG :: 26.760 CD :: 49.489 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.332 HB2 :: 1.625 HB3 :: 1.746 HG2 :: 1.735 HG3 :: 1.814 HD2 :: 3.385 HD3 :: 3.490 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 R 0.26 G 0.23 A 0.01 C Shift Assignments>> C :: 175.298 CA :: 54.510 CB :: 43.899 CG :: 27.815 CD1 :: 24.065 CD2 :: 26.368 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 :: 8.717 HA :: 4.452 HB2 :: 1.776 HB3 :: 1.955 HG :: 1.488 HD11 :: 0.940 HD12 :: 0.940 HD13 :: 0.940 HD21 :: 0.773 HD22 :: 0.773 HD23 :: 0.773 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.702 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.D33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.31 L 0.27 K 0.11 R 0.1 N 0.09 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 175.927 CA :: 52.619 CB :: 42.205 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 :: 8.258 HA :: 5.919(S) HB2 :: 2.053 HB3 :: 2.465 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 :: 128.453 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.Y34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.97 G 0.02 C Shift Assignments>> C :: 170.622 CA :: 55.930 CB :: 41.905 CD1 :: 133.156 CE1 :: 118.193 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 :: 9.144 HA :: 4.689 HB2 :: 2.698 HB3 :: 2.698 HD1 :: 6.695 HD2 :: 6.695 HE1 :: 6.699 HE2 :: 6.699 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 :: 121.657 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 R 0.11 G 0.07 C Shift Assignments>> C :: 175.301 CA :: 52.909 CB :: 42.816 CG :: 27.343 CD1 :: 24.650 CD2 :: 25.521 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 :: 8.324 HA :: 4.396 HB2 :: 0.681 HB3 :: 1.654 HG :: 0.999 HD11 :: 0.320 HD12 :: 0.320 HD13 :: 0.320 HD21 :: -0.038 HD22 :: -0.038 HD23 :: -0.038 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 :: 124.514 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.H36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 176.514 CA :: 59.570 CB :: 31.257 CD2 :: 116.696 CE1 :: 138.443 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 :: 8.763 HA :: 4.382 HB2 :: 2.551 HB3 :: 3.320 HD2 :: 6.216 HE1 :: 8.005 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 :: 132.209 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 HN Overlap>> 1.Y13 1.Y13 C Shift Assignments>> C :: 175.081 CA :: 45.621 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.745 HA2 :: 4.021 HA3 :: 3.592 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.737 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.H38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 HN Overlap>> 1.D114 1.D114 C Shift Assignments>> C :: 175.334 CA :: 55.899 CB :: 30.865 CD2 :: 118.329 CE1 :: 136.921 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 :: 8.470 HA :: 4.584 HB2 :: 2.735 HB3 :: 3.602 HD2 :: 6.921 HE1 :: 8.012 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 :: 119.813 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 175.557 CA :: 46.938 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.936 HA2 :: 3.895 HA3 :: 3.895 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.442 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.138 CA :: 60.809 CB :: 64.041 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.249 HA :: 4.299 HB2 :: 3.935 HB3 :: 4.000 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 :: 117.098 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.L41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.43 G 0.37 A 0.17 C Shift Assignments>> C :: 176.526 CA :: 52.295 CB :: 44.147 CG :: 26.861 CD1 :: 23.993 CD2 :: 22.189 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 :: 7.386 HA :: 4.429 HB2 :: 1.030 HB3 :: 1.183 HG :: 0.854 HD11 :: -0.258(S) HD12 :: -0.258(S) HD13 :: -0.258(S) HD21 :: 0.035 HD22 :: 0.035 HD23 :: 0.035 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 :: 120.541 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.081 CA :: 62.257 CB :: 38.256 CG1 :: 25.693 CG2 :: 18.173 CD1 :: 14.948 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 :: 7.407 HA :: 3.756 HB :: 1.752 HG12 :: 0.891 HG13 :: 1.201 HG21 :: 0.188 HG22 :: 0.188 HG23 :: 0.188 HD11 :: 0.626 HD12 :: 0.626 HD13 :: 0.626 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 115.050 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S10 1.S10 C Shift Assignments>> C :: 177.830 CA :: 61.958 CB :: 62.680 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.581 HA :: 3.957 HB2 :: 3.768 HB3 :: 3.768 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.456 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 175.296 CA :: 46.854 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.892 HA2 :: 3.514 HA3 :: 3.854 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.351 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.L45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.81 A 0.08 R 0.05 G 0.03 C Shift Assignments>> C :: 176.738 CA :: 56.356 CB :: 42.296 CG :: 26.034 CD1 :: 21.999 CD2 :: 24.752 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.824 HA :: 3.909 HB2 :: 0.338(S) HB3 :: 1.326 HG :: 0.904 HD11 :: -0.050 HD12 :: -0.050 HD13 :: -0.050 HD21 :: -0.109 HD22 :: -0.109 HD23 :: -0.109 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 :: 119.207 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 E 0.06 C Shift Assignments>> C :: 179.231 CA :: 62.316 CB :: 29.147 CG :: 38.201 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.556 HA :: 3.664 HB2 :: 1.717 HB3 :: 1.890 HG2 :: 1.807 HG3 :: 2.078 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.049 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.T47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.251 CA :: 65.947 CB :: 69.014 CG2 :: 21.739 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 :: 8.219 HA :: 3.965 HB :: 3.979 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 :: 111.770 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.36 L 0.02 V 0.01 C Shift Assignments>> C :: 178.639 CA :: 54.072 CB :: 19.752 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.794 HA :: 4.171 HB1 :: 1.518 HB2 :: 1.518 HB3 :: 1.518 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.697 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 L 0.24 G 0.15 K 0.04 C Shift Assignments>> C :: 176.823 CA :: 57.190 CB :: 43.628 CG :: 28.808 CD1 :: 26.874 CD2 :: 24.664 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 :: 7.691 HA :: 3.902 HB2 :: 1.518 HB3 :: 2.083 HG :: 1.717 HD11 :: 0.836 HD12 :: 0.836 HD13 :: 0.836 HD21 :: 0.788 HD22 :: 0.788 HD23 :: 0.788 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 :: 117.159 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 K 0.16 I 0.13 Q 0.13 M 0.08 C Shift Assignments>> C :: 176.691 CA :: 58.769 CB :: 29.792 CG :: 35.584 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 :: 6.963 HA :: 3.220 HB2 :: 1.996 HB3 :: 2.169 HG2 :: 2.170 HG3 :: 2.281 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 :: 118.761 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 R 0.02 C Shift Assignments>> C :: 173.801 CA :: 45.498 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.541 HA2 :: 4.140 HA3 :: 3.488 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.511 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.H52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 172.815 CA :: 57.562 CB :: 28.670 CD2 :: 120.903 CE1 :: 136.219 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 :: 7.656 HA :: 4.318 HB2 :: 3.187 HB3 :: 3.370 HD2 :: 7.277 HE1 :: 7.834 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 :: 116.844 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 E 0.43 I 0.01 C Shift Assignments>> C :: 176.145 CA :: 54.891 CB :: 33.837 CG :: 37.349 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.331 HA :: 4.636 HB2 :: 1.768 HB3 :: 2.125 HG2 :: 2.199 HG3 :: 2.199 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 :: 118.873 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.218 CA :: 65.848 CB :: 31.189 CG1 :: 23.459 CG2 :: 21.426 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 :: 8.585 HA :: 3.227 HB :: 1.860 HG11 :: 0.939 HG12 :: 0.939 HG13 :: 0.939 HG21 :: 0.848 HG22 :: 0.848 HG23 :: 0.848 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 :: 120.580 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.25 R 0.22 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.827 CA :: 44.370 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.912 HA2 :: 4.441 HA3 :: 3.865 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 118.078 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.2 K 0.15 F 0.15 Y 0.13 N 0.06 R 0.03 I 0.01 C Shift Assignments>> C :: 174.859 CA :: 55.629 CB :: 40.906 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 :: 8.098 HA :: 4.547 HB2 :: 2.850 HB3 :: 3.015 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 :: 123.094 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.32 M 0.05 G 0.01 C Shift Assignments>> C :: 175.732 CA :: 55.056 CB :: 35.302 CG :: 24.788 CD :: 29.686 CE :: 42.070 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 :: 8.168 HA :: 5.471 HB2 :: 1.565 HB3 :: 1.770 HG2 :: 1.161 HG3 :: 1.439 HD2 :: 1.567 HD3 :: 1.567 HE2 :: 2.834 HE3 :: 2.834 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.301 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.F58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 F 0.4 HN Overlap>> 1.Y68 1.Y68 C Shift Assignments>> C :: 171.549 CA :: 56.195 CB :: 39.335 CD1 :: 132.347 CE1 :: 132.347 CZ :: 128.814 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 :: 8.355 HA :: 4.858 HB2 :: 3.008 HB3 :: 3.254 HD1 :: 6.581 HD2 :: 6.581 HE1 :: 6.580 HE2 :: 6.580 HZ :: 6.303 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.026 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.D59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.32 G 0.24 R 0.18 D 0.15 K 0.03 F 0.02 N 0.01 Y 0.01 C Shift Assignments>> C :: 176.302 CA :: 52.579 CB :: 43.628 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 :: 8.407 HA :: 5.743(S) HB2 :: 2.516 HB3 :: 2.589 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 :: 119.234 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 I 0.01 C Shift Assignments>> C :: 173.140 CA :: 61.252 CB :: 35.620 CG1 :: 20.789 CG2 :: 21.770 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 :: 8.915 HA :: 4.374 HB :: 1.903 HG11 :: 0.693 HG12 :: 0.693 HG13 :: 0.693 HG21 :: 0.822 HG22 :: 0.822 HG23 :: 0.822 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 :: 119.758 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.11 C Shift Assignments>> C :: 176.460 CA :: 51.019 CB :: 19.447 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.761 HA :: 5.091 HB1 :: 1.342 HB2 :: 1.342 HB3 :: 1.342 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 133.341 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 I 0.01 HN Overlap>> 1.H123 1.H123 C Shift Assignments>> C :: 174.733 CA :: 61.007 CB :: 34.387 CG1 :: 23.606 CG2 :: 21.451 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 :: 8.929 HA :: 4.236 HB :: 1.820 HG11 :: 0.850 HG12 :: 0.850 HG13 :: 0.850 HG21 :: 0.588 HG22 :: 0.588 HG23 :: 0.588 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 :: 124.165 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.21 R 0.15 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 175.306 CA :: 44.620 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.995 HA2 :: 4.229 HA3 :: 3.637 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.598 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.26 I 0.06 V 0.01 C Shift Assignments>> C :: 180.218 CA :: 55.897 CB :: 18.347 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.106 HA :: 4.010 HB1 :: 1.011 HB2 :: 1.011 HB3 :: 1.011 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.859 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.N65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.18 E 0.16 N 0.15 D 0.07 I 0.05 M 0.03 L 0.02 K 0.01 C Shift Assignments>> C :: 176.085 CA :: 56.064 CB :: 37.871 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.748 HA :: 4.230 HB2 :: 2.594 HB3 :: 2.659 HD21 :: 7.495 HD22 :: 6.824 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.590 ND2 :: 113.609 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.27 K 0.14 R 0.12 N 0.06 F 0.05 Y 0.04 G 0.01 C Shift Assignments>> C :: 173.061 CA :: 53.549 CB :: 42.204 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 :: 7.598 HA :: 4.682 HB2 :: 2.377 HB3 :: 2.609 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 :: 118.065 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.11 C Shift Assignments>> C :: 175.615 CA :: 50.814 CB :: 18.618 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.434 HA :: 4.316 HB1 :: 1.195 HB2 :: 1.195 HB3 :: 1.195 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.890 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.Y68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.98 H 0.01 HN Overlap>> 1.F58 1.F58 C Shift Assignments>> C :: 174.964 CA :: 59.566 CB :: 36.992 CD1 :: 132.490 CE1 :: 117.716 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 :: 8.390 HA :: 4.195 HB2 :: 2.045 HB3 :: 2.715 HD1 :: 6.640 HD2 :: 6.640 HE1 :: 6.399 HE2 :: 6.399 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 :: 121.083 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.23 R 0.19 F 0.02 D 0.02 Y 0.01 HN Overlap>> 1.G20 1.G20 C Shift Assignments>> C :: 173.161 CA :: 44.465 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.149 HA2 :: 4.254 HA3 :: 3.624 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.762 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 Q 0.33 M 0.14 R 0.11 E 0.05 HN Overlap>> 1.Q14 1.Q14 C Shift Assignments>> C :: 176.138 CA :: 54.680 CB :: 29.210 CG :: 32.989 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 :: 8.450 HA :: 4.140 HB2 :: 1.772 HB3 :: 2.106 HG2 :: 2.413 HG3 :: 2.413 HE21 :: 7.466 HE22 :: 6.834 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.002 NE2 :: 112.728 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.Y71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.548 CA :: 59.868 CB :: 38.961 CD1 :: 132.853 CE1 :: 118.856 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 :: 8.991 HA :: 3.752 HB2 :: 2.530 HB3 :: 2.841 HD1 :: 6.759 HD2 :: 6.759 HE1 :: 6.643 HE2 :: 6.643 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 125.112 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.27 K 0.1 N 0.09 R 0.09 F 0.04 Y 0.03 G 0.02 C Shift Assignments>> C :: 177.709 CA :: 52.382 CB :: 42.197 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 :: 8.819 HA :: 4.773 HB2 :: 2.311 HB3 :: 2.768 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 :: 129.918 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.25 K 0.14 Q 0.06 M 0.03 C Shift Assignments>> C :: 177.581 CA :: 58.962 CB :: 29.155 CG :: 36.147 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.409 HA :: 3.937 HB2 :: 2.060 HB3 :: 2.148 HG2 :: 2.364 HG3 :: 2.364 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 :: 129.624 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 Y 0.2 F 0.14 D 0.13 E 0.09 L 0.03 M 0.02 I 0.02 C Shift Assignments>> C :: 176.190 CA :: 54.932 CB :: 38.113 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 :: 8.700 HA :: 4.550 HB2 :: 2.698 HB3 :: 2.842 HD21 :: 7.999 HD22 :: 6.914 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.792 ND2 :: 116.376 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 A 0.28 R 0.02 C Shift Assignments>> C :: 175.821 CA :: 54.106 CB :: 41.239 CG :: 26.444 CD1 :: 21.973 CD2 :: 25.321 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.303 HA :: 4.289 HB2 :: 1.315 HB3 :: 1.648 HG :: 1.333 HD11 :: 0.640 HD12 :: 0.640 HD13 :: 0.640 HD21 :: 0.695 HD22 :: 0.695 HD23 :: 0.695 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 :: 117.094 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 M 0.06 I 0.03 C Shift Assignments>> C :: 175.702 CA :: 61.733 CB :: 31.822 CG1 :: 21.131 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 :: 7.181 HA :: 4.970 HB :: 2.084 HG11 :: 0.821 HG12 :: 0.821 HG13 :: 0.821 HG21 :: 0.821 HG22 :: 0.821 HG23 :: 0.821 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 :: 124.716 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.Q77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.77 Q 0.15 E 0.05 K 0.01 C Shift Assignments>> C :: 173.553 CA :: 54.038 CB :: 33.018 CG :: 33.514 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 :: 8.791 HA :: 4.695 HB2 :: 1.944 HB3 :: 1.665 HG2 :: 2.065 HG3 :: 2.068 HE21 :: 7.252 HE22 :: 6.606 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 :: 124.898 NE2 :: 111.350 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.57 K 0.35 G 0.06 C Shift Assignments>> C :: 176.182 CA :: 55.355 CB :: 31.150 CG :: 28.492 CD :: 43.054 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 :: 8.530 HA :: 5.107 HB2 :: 1.464 HB3 :: 1.511 HG2 :: 1.252 HG3 :: 1.401 HD2 :: 2.686 HD3 :: 2.813 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 :: 123.413 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.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 A 0.02 C Shift Assignments>> CA :: 58.731 CB :: 34.836 CG1 :: 21.476 CG2 :: 20.799 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 :: 9.300 HA :: 4.824 HB :: 2.063 HG11 :: 0.905 HG12 :: 0.905 HG13 :: 0.905 HG21 :: 0.822 HG22 :: 0.822 HG23 :: 0.822 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.252 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.P80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.902 CA :: 62.969 CB :: 32.431 CG :: 28.028 CD :: 51.350 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.339 HB2 :: 1.943 HB3 :: 2.319 HG2 :: 1.929 HG3 :: 2.088 HD2 :: 3.619 HD3 :: 3.911 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.62 K 0.33 G 0.03 C Shift Assignments>> C :: 177.808 CA :: 59.874 CB :: 32.670 CG :: 27.059 CD :: 29.686 CE :: 42.420 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 :: 7.816 HA :: 3.790 HB2 :: 1.479 HB3 :: 1.730 HG2 :: 1.080 HG3 :: 1.139 HD2 :: 1.567 HD3 :: 1.567 HE2 :: 2.633 HE3 :: 2.739 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.948 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 F 0.19 Y 0.18 L 0.14 N 0.13 K 0.05 I 0.02 C Shift Assignments>> C :: 177.157 CA :: 55.527 CB :: 40.005 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 :: 8.069 HA :: 4.243 HB2 :: 2.519 HB3 :: 2.606 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.004 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.H116 1.H116 C Shift Assignments>> C :: 176.346 CA :: 63.868 CB :: 31.689 CG1 :: 21.462 CG2 :: 20.665 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 :: 7.150 HA :: 3.719 HB :: 1.744 HG11 :: 0.588 HG12 :: 0.588 HG13 :: 0.588 HG21 :: 0.399 HG22 :: 0.399 HG23 :: 0.399 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 :: 117.199 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.F84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 Y 0.47 C Shift Assignments>> C :: 175.265 CA :: 57.210 CB :: 38.968 CD1 :: 131.767 CE1 :: 130.792 CZ :: 128.163 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.365 HA :: 4.389 HB2 :: 2.856 HB3 :: 2.629 HD1 :: 6.795 HD2 :: 6.795 HE1 :: 6.637 HE2 :: 6.637 HZ :: 6.608 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 :: 119.897 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.M85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.85 A 0.14 C Shift Assignments>> C :: 176.856 CA :: 56.389 CB :: 32.715 CG :: 31.840 CE :: 16.957 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.765 HA :: 4.277 HB2 :: 1.967 HB3 :: 1.967 HG2 :: 2.444 HG3 :: 2.497 HE1 :: 1.986 HE2 :: 1.986 HE3 :: 1.986 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 :: 121.131 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> C :: 174.168 CA :: 45.637 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.499 HA2 :: 3.928 HA3 :: 3.793 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.268 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.649 CA :: 61.809 CB :: 32.667 CG1 :: 21.484 CG2 :: 20.397 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 :: 7.564 HA :: 4.083 HB :: 2.040 HG11 :: 0.774 HG12 :: 0.774 HG13 :: 0.774 HG21 :: 0.774 HG22 :: 0.774 HG23 :: 0.774 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 :: 118.839 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 D 0.2 K 0.2 F 0.13 Y 0.1 R 0.06 N 0.04 I 0.01 C Shift Assignments>> C :: 175.977 CA :: 55.655 CB :: 41.364 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 :: 8.270 HA :: 4.421 HB2 :: 2.500 HB3 :: 2.597 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 :: 124.401 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 M 0.22 K 0.1 Q 0.08 I 0.03 C Shift Assignments>> C :: 174.912 CA :: 55.739 CB :: 30.603 CG :: 36.112 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 :: 7.833 HA :: 4.206 HB2 :: 1.785 HB3 :: 1.851 HG2 :: 2.034 HG3 :: 2.085 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 :: 119.378 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 R 0.12 G 0.05 A 0.01 C Shift Assignments>> C :: 175.753 CA :: 54.929 CB :: 42.710 CG :: 26.665 CD1 :: 25.956 CD2 :: 23.728 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 :: 8.051 HA :: 4.127 HB2 :: 1.003 HB3 :: 1.503 HG :: 1.391 HD11 :: 0.556 HD12 :: 0.556 HD13 :: 0.556 HD21 :: 0.389 HD22 :: 0.389 HD23 :: 0.389 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 :: 124.432 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.Q91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.8 Q 0.14 E 0.03 K 0.01 C Shift Assignments>> C :: 174.655 CA :: 53.671 CB :: 32.850 CG :: 33.107 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 :: 7.341 HA :: 4.546 HB2 :: 1.673 HB3 :: 2.035 HG2 :: 2.196 HG3 :: 2.210 HE21 :: 7.370 HE22 :: 6.676 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 :: 120.186 NE2 :: 112.434 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.E99 1.E99 C Shift Assignments>> C :: 177.098 CA :: 64.953 CB :: 31.601 CG1 :: 22.767 CG2 :: 21.247 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 :: 8.442 HA :: 3.278 HB :: 1.837 HG11 :: 0.873 HG12 :: 0.873 HG13 :: 0.873 HG21 :: 0.888 HG22 :: 0.888 HG23 :: 0.888 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.899 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.23 R 0.2 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.547 CA :: 44.446 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.002 HA2 :: 4.327 HA3 :: 3.770 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.485 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.M94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.86 A 0.12 I 0.01 C Shift Assignments>> C :: 174.531 CA :: 57.193 CB :: 34.474 CG :: 33.301 CE :: 17.713 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.445 HA :: 4.182 HB2 :: 1.997 HB3 :: 1.997 HG2 :: 2.445 HG3 :: 2.651 HE1 :: 2.037 HE2 :: 2.037 HE3 :: 2.037 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.304 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.R95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.51 K 0.32 G 0.15 C Shift Assignments>> C :: 175.593 CA :: 54.898 CB :: 32.928 CG :: 27.898 CD :: 43.454 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 :: 8.169 HA :: 5.343 HB2 :: 1.493 HB3 :: 1.670 HG2 :: 1.364 HG3 :: 1.596 HD2 :: 2.969 HD3 :: 3.062 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 :: 122.066 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.F96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 Y 0.43 G 0.03 HN Overlap>> 1.D114 1.D114 C Shift Assignments>> C :: 173.273 CA :: 56.174 CB :: 42.474 CD1 :: 132.093 CE1 :: 130.806 CZ :: 129.266 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 :: 8.440 HA :: 4.738 HB2 :: 2.649 HB3 :: 3.153 HD1 :: 6.875 HD2 :: 6.875 HE1 :: 6.989 HE2 :: 6.989 HZ :: 6.896 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 :: 119.938 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.04 G 0.03 A 0.03 HN Overlap>> 1.E99 1.E99 C Shift Assignments>> C :: 175.664 CA :: 53.547 CB :: 42.379 CG :: 26.834 CD1 :: 23.730 CD2 :: 24.661 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 :: 8.459 HA :: 4.625 HB2 :: 1.242 HB3 :: 1.561 HG :: 1.419 HD11 :: 0.628 HD12 :: 0.628 HD13 :: 0.628 HD21 :: 0.724 HD22 :: 0.724 HD23 :: 0.724 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 :: 122.014 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.11 L 0.05 C Shift Assignments>> C :: 176.373 CA :: 50.639 CB :: 20.939 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.812 HA :: 4.520 HB1 :: 1.179 HB2 :: 1.179 HB3 :: 1.179 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.296 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 K 0.2 Q 0.14 M 0.09 I 0.06 HN Overlap>> 1.L97 1.V92 1.L97 1.V92 C Shift Assignments>> C :: 176.351 CA :: 56.830 CB :: 29.639 CG :: 35.787 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 :: 8.504 HA :: 4.150 HB2 :: 1.785 HB3 :: 1.880 HG2 :: 2.093 HG3 :: 2.171 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.993 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.T100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.882 CA :: 60.329 CB :: 73.452 CG2 :: 21.258 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.393 HA :: 4.819 HB :: 4.402 HG21 :: 1.076 HG22 :: 1.076 HG23 :: 1.076 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.598 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.D101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.24 D 0.18 L 0.12 N 0.06 K 0.05 I 0.04 HN Overlap>> 1.V119 1.D120 1.V119 1.D120 C Shift Assignments>> C :: 176.848 CA :: 56.493 CB :: 39.973 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 :: 8.988 HA :: 4.357 HB2 :: 2.645 HB3 :: 2.645 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.468 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.Q102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.32 E 0.15 M 0.08 R 0.05 C Shift Assignments>> C :: 175.252 CA :: 55.097 CB :: 29.121 CG :: 34.017 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 :: 7.937 HA :: 4.415 HB2 :: 1.691 HB3 :: 2.202 HG2 :: 2.210 HG3 :: 2.252 HE21 :: 7.414 HE22 :: 6.720 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.199 NE2 :: 113.338 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 G 0.28 L 0.28 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> CA :: 44.051 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.431 HA2 :: 4.504 HA3 :: 3.868 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.056 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.P104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.873 CA :: 62.464 CB :: 31.939 CG :: 27.469 CD :: 49.518 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.057 HB2 :: 1.696 HB3 :: 2.069 HG2 :: 1.987 HG3 :: 2.070 HD2 :: 3.552 HD3 :: 3.608 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 A 0.07 I 0.04 C Shift Assignments>> CA :: 58.474 CB :: 35.512 CG1 :: 22.194 CG2 :: 20.281 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 :: 8.960 HA :: 4.678 HB :: 1.935 HG11 :: 0.696 HG12 :: 0.696 HG13 :: 0.696 HG21 :: 0.779 HG22 :: 0.779 HG23 :: 0.779 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 :: 123.240 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.P106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.823 CA :: 62.508 CB :: 31.650 CG :: 27.501 CD :: 50.929 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.777 HB2 :: 1.734 HB3 :: 2.018 HG2 :: 1.812 HG3 :: 2.072 HD2 :: 3.630 HD3 :: 3.630 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.V107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 I 0.23 A 0.08 C Shift Assignments>> C :: 173.661 CA :: 59.026 CB :: 36.406 CG1 :: 21.709 CG2 :: 18.986 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 :: 8.835 HA :: 4.719 HB :: 1.653 HG11 :: 0.685 HG12 :: 0.685 HG13 :: 0.685 HG21 :: 0.389 HG22 :: 0.389 HG23 :: 0.389 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 :: 117.474 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.E108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.69 E 0.28 Q 0.01 C Shift Assignments>> C :: 176.394 CA :: 53.808 CB :: 33.984 CG :: 36.460 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.698 HA :: 5.133 HB2 :: 1.829 HB3 :: 1.829 HG2 :: 1.885 HG3 :: 1.885 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 :: 120.646 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.313 CA :: 61.789 CB :: 36.628 CG1 :: 28.013 CG2 :: 18.414 CD1 :: 13.492 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 :: 8.690 HA :: 4.484 HB :: 2.088 HG12 :: 1.054 HG13 :: 1.626 HG21 :: 0.657 HG22 :: 0.657 HG23 :: 0.657 HD11 :: 0.607 HD12 :: 0.607 HD13 :: 0.607 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 :: 124.739 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.T110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.904 CA :: 62.260 CB :: 69.100 CG2 :: 22.778 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 :: 9.300 HA :: 4.547 HB :: 4.264 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 :: 122.544 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.A111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.25 L 0.24 K 0.01 V 0.01 C Shift Assignments>> C :: 175.019 CA :: 53.125 CB :: 21.539 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.673 HA :: 4.367 HB1 :: 1.323 HB2 :: 1.323 HB3 :: 1.323 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.153 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.V112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.755 CA :: 62.898 CB :: 33.379 CG1 :: 21.428 CG2 :: 20.857 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 :: 8.707 HA :: 4.129 HB :: 1.886 HG11 :: 0.836 HG12 :: 0.836 HG13 :: 0.836 HG21 :: 0.645 HG22 :: 0.645 HG23 :: 0.645 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.369 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.E113 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.41 M 0.4 Q 0.1 K 0.06 C Shift Assignments>> C :: 175.102 CA :: 54.080 CB :: 31.234 CG :: 35.784 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 :: 8.144 HA :: 4.645 HB2 :: 1.232(S) HB3 :: 2.127 HG2 :: 1.905 HG3 :: 1.980 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.435 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.D114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.28 I 0.11 K 0.09 L 0.08 D 0.06 R 0.01 HN Overlap>> 1.F96 1.H38 1.F96 1.H38 C Shift Assignments>> C :: 177.679 CA :: 58.334 CB :: 40.347 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 :: 8.472 HA :: 4.209 HB2 :: 2.593 HB3 :: 2.593 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 :: 119.844 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.D115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.27 K 0.13 R 0.1 N 0.07 F 0.05 Y 0.04 G 0.01 C Shift Assignments>> C :: 175.968 CA :: 53.290 CB :: 42.080 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 :: 8.475 HA :: 4.848 HB2 :: 2.574 HB3 :: 2.714 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 :: 114.364 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.H116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 HN Overlap>> 1.V83 1.V83 C Shift Assignments>> C :: 172.393 CA :: 56.099 CB :: 33.289 CD2 :: 122.421 CE1 :: 138.869 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 :: 7.185 HA :: 5.106 HB2 :: 2.905 HB3 :: 2.717 HD2 :: 6.262 HE1 :: 7.603 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 :: 117.212 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.V117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 I 0.06 A 0.01 C Shift Assignments>> C :: 173.832 CA :: 59.555 CB :: 34.676 CG1 :: 23.642 CG2 :: 20.647 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 :: 9.130 HA :: 4.649 HB :: 2.135 HG11 :: 0.834 HG12 :: 0.834 HG13 :: 0.834 HG21 :: 0.731 HG22 :: 0.731 HG23 :: 0.731 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 :: 114.046 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.V118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.836 CA :: 62.159 CB :: 31.887 CG1 :: 21.836 CG2 :: 21.765 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.680 HA :: 4.747 HB :: 1.901 HG11 :: 0.803 HG12 :: 0.803 HG13 :: 0.803 HG21 :: 0.699 HG22 :: 0.699 HG23 :: 0.699 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.095 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.V119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 A 0.09 I 0.03 HN Overlap>> 1.D101 1.D101 C Shift Assignments>> C :: 173.747 CA :: 58.326 CB :: 34.387 CG1 :: 22.484 CG2 :: 19.505 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.057 HA :: 5.231 HB :: 1.820 HG11 :: 0.835 HG12 :: 0.835 HG13 :: 0.835 HG21 :: 0.834 HG22 :: 0.834 HG23 :: 0.834 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.494 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.D120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.22 R 0.09 D 0.05 F 0.01 HN Overlap>> 1.D101 1.D101 C Shift Assignments>> C :: 177.982 CA :: 52.749 CB :: 44.542 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 :: 8.926 HA :: 5.174 HB2 :: 2.428 HB3 :: 2.998 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.454 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.G121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 R 0.03 C Shift Assignments>> C :: 175.041 CA :: 45.319 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.674 HA2 :: 4.702 HA3 :: 3.573 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.850 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.N122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.19 L 0.14 F 0.14 Y 0.13 K 0.05 I 0.01 C Shift Assignments>> C :: 175.406 CA :: 54.686 CB :: 40.139 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 :: 8.762 HA :: 4.183 HB2 :: 2.178 HB3 :: 2.780 HD21 :: 8.633 HD22 :: 6.548 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.618 ND2 :: 120.943 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.H123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 HN Overlap>> 1.V62 1.V62 C Shift Assignments>> C :: 177.325 CA :: 58.768 CB :: 31.172 CD2 :: 117.961 CE1 :: 136.629 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 :: 8.929 HA :: 4.005 HB2 :: 2.586 HB3 :: 3.182 HD2 :: 6.968 HE1 :: 6.539 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 :: 124.165 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.M124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.95 I 0.02 A 0.01 C Shift Assignments>> CA :: 58.994 CB :: 32.777 CG :: 31.562 CE :: 17.396 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 :: 8.266 HA :: 4.048 HB2 :: 1.698 HB3 :: 1.854 HG2 :: 2.200 HG3 :: 2.335 HE1 :: 1.991 HE2 :: 1.991 HE3 :: 1.991 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 :: 129.443 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.L125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.72 A 0.19 G 0.05 K 0.02 C Shift Assignments>> C :: 177.860 CA :: 53.517 CB :: 42.462 CG :: 25.413 CD2 :: 22.455 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.094 HA :: 4.455 HB2 :: 1.569 HB3 :: 1.569 HD11 :: 0.651 HD12 :: 0.651 HD13 :: 0.651 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) FLAG polypeptide(L) 1.A126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.4 I 0.01 C Shift Assignments>> C :: 179.135 CA :: 54.170 CB :: 18.687 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.089 HA :: 3.966 HB1 :: 1.429 HB2 :: 1.429 HB3 :: 1.429 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.095 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.G127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 173.568 CA :: 45.846 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.499 HA2 :: 4.207 HA3 :: 3.598 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.073 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.Q128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.34 M 0.12 R 0.1 E 0.07 C Shift Assignments>> C :: 174.790 CA :: 54.948 CB :: 29.181 CG :: 33.252 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 :: 7.514 HA :: 4.496 HB2 :: 1.878 HB3 :: 1.979 HG2 :: 2.086 HG3 :: 2.145 HE21 :: 7.479 HE22 :: 6.760 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.842 NE2 :: 113.530 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.N129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 D 0.13 Y 0.08 F 0.05 E 0.02 L 0.01 M 0.01 C Shift Assignments>> C :: 174.325 CA :: 52.568 CB :: 38.035 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 :: 8.689 HA :: 4.857 HB2 :: 2.612 HB3 :: 2.987 HD21 :: 7.771 HD22 :: 6.829 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 :: 122.739 ND2 :: 115.379 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.L130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.29 A 0.1 C Shift Assignments>> C :: 176.095 CA :: 53.691 CB :: 46.814 CG :: 26.668 CD1 :: 26.871 CD2 :: 23.359 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 :: 8.742 HA :: 4.918 HB2 :: 0.958 HB3 :: 1.515 HG :: 1.680 HD11 :: 0.955 HD12 :: 0.955 HD13 :: 0.955 HD21 :: 0.648 HD22 :: 0.648 HD23 :: 0.648 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 :: 121.242 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.K131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.24 M 0.03 G 0.01 HN Overlap>> 1.V134 1.V134 C Shift Assignments>> C :: 175.508 CA :: 55.333 CB :: 33.962 CG :: 24.806 CD :: 29.021 CE :: 41.996 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 :: 8.809 HA :: 4.918 HB2 :: 1.483 HB3 :: 1.708 HG2 :: 1.161 HG3 :: 1.200 HD2 :: 1.558 HD3 :: 1.558 HE2 :: 2.808 HE3 :: 2.847 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 :: 122.071 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.F132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 Y 0.45 G 0.02 C Shift Assignments>> C :: 175.715 CA :: 56.665 CB :: 42.263 CD1 :: 131.767 CE1 :: 131.584 CZ :: 128.248 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 :: 9.436 HA :: 5.427 HB2 :: 2.456 HB3 :: 2.981 HD1 :: 6.785 HD2 :: 6.785 HE1 :: 6.784 HE2 :: 6.784 HZ :: 6.357 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 :: 125.247 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.N133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.23 K 0.15 N 0.09 F 0.07 Y 0.06 R 0.05 HN Overlap>> 1.V134 1.V134 C Shift Assignments>> C :: 174.433 CA :: 53.952 CB :: 41.492 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 :: 8.680 HA :: 5.249 HB2 :: 2.644 HB3 :: 2.644 HD21 :: 7.816 HD22 :: 6.512 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 :: 122.056 ND2 :: 112.739 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.V134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 I 0.02 HN Overlap>> 1.K131 1.K131 1.N133 1.N133 C Shift Assignments>> C :: 173.555 CA :: 60.374 CB :: 34.848 CG1 :: 22.764 CG2 :: 20.862 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 :: 8.762 HA :: 4.805 HB :: 1.055 HG11 :: 0.522 HG12 :: 0.522 HG13 :: 0.522 HG21 :: 0.181 HG22 :: 0.181 HG23 :: 0.181 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.014 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.E135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 E 0.25 Q 0.06 C Shift Assignments>> C :: 175.578 CA :: 54.376 CB :: 33.264 CG :: 35.509 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 :: 8.869 HA :: 5.240 HB2 :: 1.726 HB3 :: 1.889 HG2 :: 1.665 HG3 :: 1.936 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 :: 125.197 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.V136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.119 CA :: 62.910 CB :: 30.573 CG1 :: 21.683 CG2 :: 20.761 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 :: 8.270 HA :: 4.066 HB :: 2.446 HG11 :: 0.815 HG12 :: 0.815 HG13 :: 0.815 HG21 :: 0.693 HG22 :: 0.693 HG23 :: 0.693 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.347 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.V137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.208 CA :: 64.424 CB :: 32.943 CG1 :: 21.243 CG2 :: 22.990 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 :: 8.865 HA :: 4.022 HB :: 1.730 HG11 :: 0.895 HG12 :: 0.895 HG13 :: 0.895 HG21 :: 0.865 HG22 :: 0.865 HG23 :: 0.865 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 :: 130.810 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.A138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.45 L 0.29 M 0.2 K 0.01 C Shift Assignments>> C :: 174.405 CA :: 52.556 CB :: 21.874 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.677 HA :: 4.496 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 :: 119.194 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.I139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 I 0.41 HN Overlap>> 1.S26 1.S26 C Shift Assignments>> C :: 173.734 CA :: 61.623 CB :: 43.363 CG1 :: 28.367 CG2 :: 19.661 CD1 :: 15.622 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 :: 8.052 HA :: 4.640 HB :: 1.205 HG12 :: 0.733 HG13 :: 1.297 HG21 :: 0.650 HG22 :: 0.650 HG23 :: 0.650 HD11 :: 0.580 HD12 :: 0.580 HD13 :: 0.580 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.307 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.R140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.32 G 0.04 C Shift Assignments>> C :: 174.181 CA :: 54.243 CB :: 33.438 CG :: 26.081 CD :: 42.406 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 :: 8.912 HA :: 4.760 HB2 :: 1.796 HB3 :: 1.796 HG2 :: 1.616 HG3 :: 1.979 HD2 :: 2.920 HD3 :: 2.920 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 :: 122.820 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.E141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 I 0.12 K 0.11 M 0.11 Q 0.04 C Shift Assignments>> C :: 177.299 CA :: 57.165 CB :: 30.048 CG :: 36.577 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 :: 8.545 HA :: 4.254 HB2 :: 1.752 HB3 :: 1.986 HG2 :: 2.180 HG3 :: 2.180 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 :: 119.458 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.A142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.13 L 0.07 C Shift Assignments>> C :: 178.495 CA :: 51.113 CB :: 21.044 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.380 HA :: 4.388 HB1 :: 1.204 HB2 :: 1.204 HB3 :: 1.204 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.330 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.T143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.241 CA :: 60.541 CB :: 70.879 CG2 :: 21.721 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 :: 9.502 HA :: 4.362 HB :: 4.657 HG21 :: 1.190 HG22 :: 1.190 HG23 :: 1.190 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 :: 114.561 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.E144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 E 0.43 K 0.07 M 0.01 Q 0.01 C Shift Assignments>> C :: 179.490 CA :: 60.102 CB :: 29.338 CG :: 36.603 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 :: 8.787 HA :: 3.817 HB2 :: 1.941 HB3 :: 1.941 HG2 :: 2.184 HG3 :: 2.290 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 :: 120.475 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.E145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.39 K 0.06 M 0.03 Q 0.01 HN Overlap>> 1.H162 1.H162 C Shift Assignments>> C :: 178.521 CA :: 59.588 CB :: 29.658 CG :: 36.799 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 :: 8.321 HA :: 3.899 HB2 :: 1.786 HB3 :: 1.898 HG2 :: 2.088 HG3 :: 2.088 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 :: 119.761 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.E146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.34 K 0.06 M 0.04 Q 0.01 C Shift Assignments>> C :: 179.189 CA :: 59.148 CB :: 29.834 CG :: 36.937 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.514 HA :: 3.856 HB2 :: 2.270 HB3 :: 2.270 HG2 :: 2.208 HG3 :: 2.208 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.118 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.L147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.05 A 0.01 C Shift Assignments>> C :: 179.341 CA :: 57.277 CB :: 41.239 CG :: 26.374 CD1 :: 25.882 CD2 :: 22.828 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 :: 7.823 HA :: 3.662 HB2 :: 1.315 HB3 :: 1.648 HG :: 1.533 HD11 :: 0.741 HD12 :: 0.741 HD13 :: 0.741 HD21 :: 0.664 HD22 :: 0.664 HD23 :: 0.664 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 :: 117.199 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.A148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.47 I 0.02 C Shift Assignments>> C :: 179.777 CA :: 54.509 CB :: 18.064 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.788 HA :: 3.958 HB1 :: 1.233 HB2 :: 1.233 HB3 :: 1.233 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.696 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.H149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 176.099 CA :: 55.802 CB :: 30.406 CD2 :: 119.779 CE1 :: 137.748 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 :: 7.726 HA :: 4.477 HB2 :: 2.740 HB3 :: 2.740 HD2 :: 6.934 HE1 :: 7.805 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 114.463 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.G150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 173.382 CA :: 46.117 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.076 HA2 :: 3.927 HA3 :: 3.237 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.417 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.H151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 173.157 CA :: 54.731 CB :: 31.611 CD2 :: 122.286 CE1 :: 137.282 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 :: 7.518 HA :: 4.563 HB2 :: 2.959 HB3 :: 3.152 HD2 :: 6.708 HE1 :: 7.893 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 114.828 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.V152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.848 CA :: 62.190 CB :: 32.703 CG1 :: 21.801 CG2 :: 21.751 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 :: 7.931 HA :: 3.951 HB :: 1.891 HG11 :: 0.710 HG12 :: 0.710 HG13 :: 0.710 HG21 :: 0.698 HG22 :: 0.698 HG23 :: 0.698 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 :: 118.551 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.H153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 175.795 CA :: 56.753 CB :: 30.325 CD2 :: 120.676 CE1 :: 137.663 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.784 HA :: 4.604 HB2 :: 3.020 HB3 :: 3.020 HD2 :: 6.925 HE1 :: 7.883 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 127.403 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.G154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 R 0.05 C Shift Assignments>> C :: 173.848 CA :: 45.153 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.447 HA2 :: 3.797 HA3 :: 3.797 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.233 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.A155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.23 C Shift Assignments>> C :: 177.651 CA :: 52.795 CB :: 19.258 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.074 HA :: 4.101 HB1 :: 1.189 HB2 :: 1.189 HB3 :: 1.189 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.092 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.H156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.21 R 0.18 Q 0.18 E 0.16 K 0.12 M 0.09 I 0.01 C Shift Assignments>> C :: 174.758 CA :: 55.756 CB :: 30.060 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 :: 8.201 HA :: 4.474 HB2 :: 2.897 HB3 :: 2.953 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 :: 118.170 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.D157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.2 N 0.12 K 0.12 F 0.09 Y 0.08 R 0.02 C Shift Assignments>> CA :: 54.185 CB :: 41.016 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 :: 8.001 HA :: 4.436 HB2 :: 2.475 HB3 :: 2.501 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.683 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.H158 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.H159 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.H160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.2 R 0.18 Q 0.18 E 0.17 K 0.12 M 0.09 I 0.01 C Shift Assignments>> C :: 174.722 CA :: 55.979 CB :: 30.058 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> HA :: 4.502 HB2 :: 2.902 HB3 :: 2.955 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) FLAG polypeptide(L) 1.D161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.19 N 0.13 K 0.11 F 0.11 Y 0.09 R 0.02 C Shift Assignments>> C :: 176.107 CA :: 54.474 CB :: 40.820 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 :: 8.270 HA :: 4.446 HB2 :: 2.466 HB3 :: 2.466 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.957 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.H162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 R 0.18 Q 0.17 E 0.17 K 0.12 M 0.09 I 0.01 HN Overlap>> 1.E145 1.H164 1.E145 1.H164 C Shift Assignments>> C :: 175.036 CA :: 56.185 CB :: 30.108 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 :: 8.212 HA :: 4.289 HB2 :: 2.939 HB3 :: 2.939 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 :: 119.766 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.D163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.19 N 0.12 K 0.11 F 0.11 Y 0.1 R 0.02 C Shift Assignments>> C :: 176.161 CA :: 54.585 CB :: 40.823 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 :: 8.163 HA :: 4.428 HB2 :: 2.469 HB3 :: 2.469 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.265 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.H164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 R 0.19 E 0.18 Q 0.16 K 0.11 M 0.1 I 0.01 V 0.01 HN Overlap>> 1.H162 1.H162 C Shift Assignments>> C :: 174.904 CA :: 56.361 CB :: 30.305 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 :: 8.106 HA :: 4.422 HB2 :: 2.880 HB3 :: 3.024 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 :: 119.729 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.D165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.19 N 0.13 K 0.1 F 0.1 Y 0.09 R 0.02 C Shift Assignments>> C :: 176.054 CA :: 54.364 CB :: 40.818 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.118 HA :: 4.394 HB2 :: 2.433 HB3 :: 2.433 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.062 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.H166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 Q 0.19 E 0.16 R 0.16 K 0.15 M 0.07 I 0.01 L 0.01 C Shift Assignments>> CA :: 56.114 CB :: 29.702 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 :: 8.092 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.001 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.H167 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.H168 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.H169 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.H170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.2 R 0.18 Q 0.17 E 0.17 K 0.12 M 0.1 I 0.01 C Shift Assignments>> C :: 173.952 CA :: 55.995 CB :: 30.161 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> HA :: 4.514 HB2 :: 3.061 HB3 :: 3.061 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) FLAG polypeptide(L) 1.H171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 E 0.2 H 0.18 Q 0.14 M 0.1 K 0.09 I 0.03 V 0.02 C Shift Assignments>> CA :: 57.400 CB :: 30.557 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 :: 7.881 HA :: 4.324 HB2 :: 2.950 HB3 :: 3.084 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 :: 126.080 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) ########################################################################### Overall Results: #Consistent: 166 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 166 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 171 #Suspicious: 0 C Shift Results: #Consistent: 676 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1097 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 0 N Shift Results: #Consistent: 168 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.D33 HA = 5.919(S), Expected = 4.61, Std = 0.3100, ChiSquare = 2.4152e-05 1.L41 HD11 = -0.258(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.4043e-04 1.L41 HD12 = -0.258(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.4043e-04 1.L41 HD13 = -0.258(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.4043e-04 1.L45 HB2 = 0.338(S), Expected = 1.63, Std = 0.3400, ChiSquare = 1.4470e-04 1.D59 HA = 5.743(S), Expected = 4.61, Std = 0.3100, ChiSquare = 2.5734e-04 1.E113 HB2 = 1.232(S), Expected = 2.04, Std = 0.2200, ChiSquare = 2.3998e-04