Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 FLAG polypeptide(L) 1.A1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.32 C Shift Assignments>> C :: 176.428 CA :: 64.928 CB :: 32.693 CG :: 27.629 CD :: 51.715 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 :: 4.616 HB2 :: 2.491 HB3 :: 2.256 HG2 :: 2.145 HG3 :: 2.145 HD2 :: 3.947 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.T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 T 0.39 A 0.01 C Shift Assignments>> C :: 173.218 CA :: 59.013 CB :: 73.266 CG2 :: 21.774 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 :: 6.886 HA :: 4.341 HB :: 4.637 HG21 :: 1.321 HG22 :: 1.321 HG23 :: 1.321 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 :: 105.176 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.36 R 0.01 C Shift Assignments>> C :: 178.118 CA :: 56.865 CB :: 41.47 CG :: 26.9 CD1 :: 23.5 CD2 :: 23.5 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.036 HA :: 3.388 HB2 :: 1.832 HB3 :: 0.971 HG :: 1.35 HD11 :: 0.792 HD12 :: 0.792 HD13 :: 0.792 HD21 :: 0.246 HD22 :: 0.246 HD23 :: 0.246 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 :: 123.307 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.Q5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.23 K 0.21 R 0.11 E 0.06 I 0.02 M 0.01 C Shift Assignments>> C :: 178.226 CA :: 58.617 CB :: 27.449 CG :: 33.719 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 :: 8.932 HA :: 3.728 HB2 :: 1.770 HB3 :: 2.820 HG2 :: 2.522 HG3 :: 2.302 HE21 :: 6.77 HE22 :: 7.72 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.345 NE2 :: 115.1 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 I 0.34 E 0.24 K 0.01 M 0.01 C Shift Assignments>> C :: 178.738 CA :: 59.258 CB :: 29.711 CG :: 38.041 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 :: 7.746 HA :: 4.292 HB2 :: 2.175 HB3 :: 2.052 HG2 :: 2.452 HG3 :: 2.393 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.739 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.69 A 0.21 I 0.06 C 0.02 C Shift Assignments>> C :: 181.172 CA :: 55.435 CB :: 16.881 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.917 HA :: 4.024 HB1 :: 1.588 HB2 :: 1.588 HB3 :: 1.588 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.090 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.41 R 0.09 K 0.01 C Shift Assignments>> C :: 179.249 CA :: 58.958 CB :: 41.331 CG :: 27.270 CD1 :: 26.285 CD2 :: 24.136 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 :: 7.894 HA :: 3.844 HB2 :: 2.096 HB3 :: 1.132 HG :: 1.467 HD11 :: 0.269 HD12 :: 0.269 HD13 :: 0.269 HD21 :: 0.223 HD22 :: 0.223 HD23 :: 0.223 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 :: 121.723 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 C 0.18 I 0.14 L 0.04 K 0.03 D 0.03 C Shift Assignments>> C :: 179.947 CA :: 58.842 CB :: 39.988 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 :: 8.822 HA :: 4.232 HB2 :: 2.965 HB3 :: 2.946 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.041 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.37 G 0.15 K 0.03 C Shift Assignments>> C :: 179.498 CA :: 59.382 CB :: 30.136 CG :: 27.218 CD :: 43.861 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 :: 8.640 HA :: 4.075 HB2 :: 2.014 HB3 :: 1.890 HG2 :: 2.040 HG3 :: 1.760 HD2 :: 3.094 HD3 :: 3.293 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.552 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.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.35 K 0.16 L 0.09 G 0.01 C Shift Assignments>> C :: 178.583 CA :: 57.466 CB :: 29.401 CG :: 23.861 CD :: 27.218 CE :: 42.098 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 :: 7.726 HA :: 3.969 HB2 :: 2.027 HB3 :: 1.775 HG2 :: 0.938 HG3 :: 1.189 HD2 :: 1.519 HD3 :: 1.396 HE2 :: 2.608 HE3 :: 2.776 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.554 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.C12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.27 M 0.09 Y 0.08 K 0.07 I 0.04 Q 0.04 F 0.03 V 0.02 W 0.01 C Shift Assignments>> C :: 176.629 CA :: 58.014 CB :: 35.689 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.405 HA :: 4.571 HB2 :: 3.303 HB3 :: 2.761 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 115.828 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.28 I 0.05 C 0.02 C Shift Assignments>> C :: 180.722 CA :: 55.247 CB :: 17.313 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.440 HA :: 4.122 HB1 :: 1.593 HB2 :: 1.593 HB3 :: 1.593 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.333 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 K 0.22 Q 0.19 R 0.15 E 0.03 P 0.02 I 0.02 M 0.01 C Shift Assignments>> C :: 178.893 CA :: 59.154 CB :: 27.539 CG :: 33.1537 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 :: 7.617 HA :: 4.081 HB2 :: 2.137 HB3 :: 2.137 HG2 :: 2.474 HG3 :: 2.258 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 :: 121.040 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.F15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 F 0.45 C Shift Assignments>> C :: 180.164 CA :: 57.990 CB :: 37.269 CD1 :: 130.106 CD2 :: 130.106 CE1 :: 130.106 CE2 :: 130.106 CZ :: 129.559 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 :: 7.820 HA :: 4.752 HB2 :: 3.227 HB3 :: 3.227 HD1 :: 7.172 HD2 :: 7.065 HE1 :: 7.365 HE2 :: 7.365 HZ :: 7.348 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 :: 119.668 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 C 0.22 L 0.03 P 0.02 A 0.02 C Shift Assignments>> C :: 174.676 CA :: 47.369 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.454 HA2 :: 4.096 HA3 :: 3.537 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.161 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.18 M 0.01 G 0.01 HN Overlap>> 1.I122 1.I122 C Shift Assignments>> C :: 179.110 CA :: 59.602 CB :: 32.107 CG :: 25.124 CD :: 29.420 CE :: 42.123 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 :: 8.055 HA :: 4.117 HB2 :: 2.013 HB3 :: 2.013 HG2 :: 1.626 HG3 :: 1.471 HD2 :: 1.749 HD3 :: 1.749 HE2 :: 3.019 HE3 :: 3.019 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.977 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.22 K 0.07 Q 0.02 M 0.01 C Shift Assignments>> C :: 180.118 CA :: 59.471 CB :: 29.151 CG :: 36.280 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 :: 8.010 HA :: 4.058 HB2 :: 2.278 HB3 :: 2.141 HG2 :: 2.552 HG3 :: 2.552 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 :: 119.562 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 176.505 CA :: 63.542 CB :: 62.302 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.231 HA :: 4.114 HB2 :: 3.575 HB3 :: 3.514 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 :: 117.630 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.C20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.24 I 0.21 C 0.17 K 0.03 L 0.02 D 0.01 C Shift Assignments>> C :: 178.118 CA :: 59.831 CB :: 40.076 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.687 HA :: 4.456 HB2 :: 3.373 HB3 :: 2.765 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 123.173 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.N21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.17 N 0.17 E 0.12 F 0.11 D 0.06 M 0.03 I 0.02 L 0.01 C Shift Assignments>> C :: 176.474 CA :: 55.482 CB :: 37.749 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 :: 8.479 HA :: 4.517 HB2 :: 2.930 HB3 :: 2.930 HD21 :: 7.605 HD22 :: 6.817 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.436 ND2 :: 110.8824 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.885 CA :: 59.022 CB :: 63.632 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.840 HA :: 4.606 HB2 :: 4.106 HB3 :: 4.106 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.796 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.366 CA :: 45.359 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.871 HA2 :: 4.533 HA3 :: 3.808 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.524 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.41 A 0.02 C Shift Assignments>> C :: 175.885 CA :: 53.960 CB :: 39.440 CG :: 26.554 CD1 :: 26.016 CD2 :: 23.867 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 :: 7.860 HA :: 4.808 HB2 :: 1.835 HB3 :: 1.619 HG :: 1.654 HD11 :: 0.938 HD12 :: 0.938 HD13 :: 0.938 HD21 :: 0.917 HD22 :: 0.917 HD23 :: 0.917 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 :: 122.760 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.38 C 0.03 I 0.02 V 0.01 C Shift Assignments>> C :: 180.335 CA :: 55.214 CB :: 18.841 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.740 HA :: 4.404 HB1 :: 1.479 HB2 :: 1.479 HB3 :: 1.479 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.816 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.S26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.436 CA :: 60.973 CB :: 62.540 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.553 HA :: 4.088 HB2 :: 3.629 HB3 :: 3.454 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.395 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.Y27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 177.436 CA :: 60.003 CB :: 39.707 CD1 :: 132.293 CD2 :: 132.293 CE1 :: 117.53 CE2 :: 117.53 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.515 HA :: 4.110 HB2 :: 3.377 HB3 :: 2.601 HD1 :: 7.084 HD2 :: 7.084 HE1 :: 6.642 HE2 :: 6.642 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 :: 114.48495 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.C28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 N 0.17 C 0.15 Y 0.14 F 0.13 L 0.1 K 0.02 I 0.01 C Shift Assignments>> C :: 175.342 CA :: 54.972 CB :: 39.739 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.90934 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.08489 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.8 C 0.11 L 0.05 C Shift Assignments>> C :: 173.063 CA :: 46.303 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.022 HA3 :: 3.847 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) FLAG polypeptide(L) 1.A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.13 C 0.04 L 0.02 C Shift Assignments>> C :: 177.280 CA :: 51.471 CB :: 20.369 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.941 HA :: 4.517 HB1 :: 1.392 HB2 :: 1.392 HB3 :: 1.392 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.667 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.21 C 0.02 C Shift Assignments>> C :: 175.622 CA :: 52.541 CB :: 18.941 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.722 HA :: 4.348 HB1 :: 1.416 HB2 :: 1.416 HB3 :: 1.416 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.583 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.4 G 0.02 C Shift Assignments>> C :: 171.947 CA :: 59.423 CB :: 42.138 CG1 :: 28.614 CG2 :: 15.717 CD1 :: 14.1886 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 :: 7.712 HA :: 5.162 HB :: 1.581 HG12 :: 0.982 HG13 :: 0.982 HG21 :: 0.835 HG22 :: 0.835 HG23 :: 0.835 HD11 :: 1.041 HD12 :: 1.041 HD13 :: 1.041 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.886 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.35 G 0.06 C Shift Assignments>> C :: 174.722 CA :: 57.018 CB :: 42.841 CD1 :: 132.293 CD2 :: 132.293 CE1 :: 117.53 CE2 :: 117.53 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 :: 8.710 HA :: 4.752 HB2 :: 3.213 HB3 :: 2.517 HD1 :: 7.234 HD2 :: 7.234 HE1 :: 6.773 HE2 :: 6.773 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 :: 122.365 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.A34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.55 L 0.18 M 0.13 C 0.1 C Shift Assignments>> C :: 179.451 CA :: 51.347 CB :: 21.799 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.848 HA :: 5.887(S) HB1 :: 1.593 HB2 :: 1.593 HB3 :: 1.593 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.770 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.R35 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.61 G 0.27 K 0.07 R 0.03 C Shift Assignments>> C :: 174.071 CA :: 53.884 CB :: 35.827 CG :: 27.8578 CD :: 43.7143 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.797 HA :: 5.367 HB2 :: 2.186 HB3 :: 1.430 HG2 :: 1.398 HG3 :: 1.213 HD2 :: 2.837 HD3 :: 2.837 HE :: 6.770 HH11 :: 7.320 HH21 :: 8.430(A) 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 :: 122.565 NE :: 116.335 NH1 :: 105.0 NH2 :: 105.0 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.Y36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 Y 0.45 H 0.03 C Shift Assignments>> C :: 172.738 CA :: 55.227 CB :: 36.573 CD1 :: 133.386 CD2 :: 133.386 CE1 :: 118.076 CE2 :: 118.076 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 :: 8.513 HA :: 4.165 HB2 :: 2.196 HB3 :: 2.196 HD1 :: 6.114 HD2 :: 6.103 HE1 :: 6.563 HE2 :: 6.563 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 126.270 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.21 C 0.11 R 0.09 D 0.04 F 0.01 C Shift Assignments>> C :: 176.815 CA :: 53.138 CB :: 44.557 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 :: 7.92047 HA :: 4.387 HB2 :: 3.053 HB3 :: 2.110 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 :: 123.75211 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.K38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.37 K 0.35 R 0.25 M 0.01 C Shift Assignments>> C :: 176.226 CA :: 56.701 CB :: 34.334 CG :: 25.776 CD :: 29.577 CE :: 41.916 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 10.618(S) HA :: 4.147 HB2 :: 1.916 HB3 :: 1.586 HG2 :: 1.1084 HG3 :: 1.1084 HD2 :: 1.565 HD3 :: 1.565 HE2 :: 2.860 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.32874 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.22 R 0.18 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.408 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.556 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.728 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.N40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.19 K 0.13 C 0.11 F 0.09 N 0.08 Y 0.07 R 0.03 C Shift Assignments>> C :: 175.777 CA :: 54.551 CB :: 41.194 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 :: 8.696 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 124.769 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.S41 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.5 S 0.38 C 0.1 C Shift Assignments>> CA :: 63.601 CB :: 59.167 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.625 HB2 :: 4.058 HB3 :: 3.992 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) FLAG polypeptide(L) 1.Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.26 K 0.14 Q 0.07 I 0.03 C Shift Assignments>> C :: 175.404 CA :: 54.630 CB :: 27.987 CG :: 36.131 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 :: 7.948 HA :: 4.682 HB2 :: 2.131 HB3 :: 2.054 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 :: 124.392 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.Q44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.26 K 0.23 E 0.15 R 0.04 M 0.03 I 0.01 C Shift Assignments>> C :: 175.839 CA :: 55.930 CB :: 28.614 CG :: 34.386 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 :: 8.220 HA :: 4.187 HB2 :: 2.283 HB3 :: 1.909 HG2 :: 2.383 HG3 :: 2.263 HE21 :: 7.242 HE22 :: 7.007 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.577 NE2 :: 114.1636 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 173.435 CA :: 60.749 CB :: 69.812 CG2 :: 21.944 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 :: 7.468 HA :: 4.230 HB :: 4.114 HG21 :: 1.148 HG22 :: 1.148 HG23 :: 1.148 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 :: 111.792 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.36 K 0.22 G 0.01 M 0.01 C Shift Assignments>> C :: 174.319 CA :: 57.093 CB :: 33.044 CG :: 27.181 CD :: 29.898 CE :: 42.227 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 :: 8.153 HA :: 3.541 HB2 :: 1.070 HB3 :: 1.056 HG2 :: 0.592 HG3 :: 0.592 HD2 :: 1.439 HD3 :: 1.439 HE2 :: 2.889 HE3 :: 2.809 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 :: 122.363 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 M 0.05 E 0.02 C Shift Assignments>> C :: 174.862 CA :: 54.407 CB :: 35.152 CG :: 37.033 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 :: 7.521 HA :: 4.396 HB2 :: 1.923 HB3 :: 1.383 HG2 :: 2.124 HG3 :: 2.026 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.942 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.W48 Overall: Anomalous Typing: Suspicious SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 H 0.39 C Shift Assignments>> C :: 175.947 CA :: 59.831 CB :: 30.976 CD1 :: 125.700 CE3 :: 122.997 CZ2 :: 133.930(A) CZ3 :: 119.717 CH2 :: 118.070(A) Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.904 HA :: 4.928 HB2 :: 3.428 HB3 :: 3.124 HD1 :: 7.413 HE1 :: 9.910 HE3 :: 6.958 HZ2 :: 6.105 HZ3 :: 7.413 HH2 :: 6.570 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.440 NE1 :: 128.300 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) SRO Rule Breaks>> (CD1 > CZ2 : 1.0000) (CH2 > CZ2 : 0.9900) FLAG polypeptide(L) 1.R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 G 0.23 R 0.16 K 0.15 C Shift Assignments>> C :: 173.652 CA :: 52.765 CB :: 33.808 CG :: 28.4 CD :: 43.549 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.161 HA :: 5.054 HB2 :: 1.394 HB3 :: 1.148 HG2 :: 1.36 HG3 :: 1.870 HD2 :: 2.393 HD3 :: 2.686 HE :: 6.543 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 :: 122.463 NE :: 118.617 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.C50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.2 C 0.15 Y 0.04 F 0.03 L 0.03 C Shift Assignments>> C :: 174.304 CA :: 51.496 CB :: 39.110 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.661 HA :: 5.903 HB2 :: 2.963 HB3 :: 2.803 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 115.885 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.Y51 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 F 0.37 G 0.02 C Shift Assignments>> C :: 176.831 CA :: 57.317 CB :: 42.020 CD1 :: 133.3 CD2 :: 133.3 CE1 :: 127.372(S) CE2 :: 127.372(S) 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 :: 10.004 HA :: 4.983 HB2 :: 2.923 HB3 :: 2.777 HD1 :: 7.145 HD2 :: 7.145 HE1 :: 4.983 HE2 :: 4.983 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 :: 122.278 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 177.529 CA :: 62.147 CB :: 38.580 CG1 :: 26.491 CG2 :: 19.1487 CD1 :: 13.657 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 :: 8.197 HA :: 4.875 HB :: 2.149 HG12 :: 1.327 HG13 :: 1.433 HG21 :: 0.896 HG22 :: 0.896 HG23 :: 0.896 HD11 :: 0.646 HD12 :: 0.646 HD13 :: 0.646 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.496 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 I 0.28 E 0.24 M 0.04 C Shift Assignments>> C :: 177.591 CA :: 61.269 CB :: 31.390 CG :: 36.674 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 :: 8.480 HA :: 3.987 HB2 :: 2.461 HB3 :: 2.372 HG2 :: 2.376 HG3 :: 2.376 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.597 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.17 M 0.04 C Shift Assignments>> C :: 177.358 CA :: 58.137 CB :: 32.245 CG :: 24.57 CD :: 29.509 CE :: 41.958 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 :: 7.963 HA :: 4.364 HB2 :: 2.012 HB3 :: 2.012 HG2 :: 1.562 HG3 :: 1.562 HD2 :: 1.563 HD3 :: 1.563 HE2 :: 2.885 HE3 :: 2.814 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 113.016 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 M 0.09 K 0.06 I 0.05 Q 0.02 C Shift Assignments>> C :: 175.699 CA :: 56.467 CB :: 30.257 CG :: 36.6068 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 :: 8.174 HA :: 4.667 HB2 :: 2.621 HB3 :: 2.154 HG2 :: 2.294 HG3 :: 2.603 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.229 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.L56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.57 L 0.15 C 0.14 A 0.12 C Shift Assignments>> C :: 174.521 CA :: 52.914 CB :: 45.527 CG :: 26.311 CD1 :: 26.492 CD2 :: 22.228 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 :: 7.633 HA :: 4.215 HB2 :: 1.695 HB3 :: -0.060(S) HG :: 1.288 HD11 :: 0.471 HD12 :: 0.471 HD13 :: 0.471 HD21 :: -0.198(S) HD22 :: -0.198(S) HD23 :: -0.198(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.813 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.27 C 0.12 L 0.11 F 0.04 Y 0.04 K 0.03 C Shift Assignments>> C :: 178.738 CA :: 52.011 CB :: 40.684 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 :: 8.593 HA :: 4.904 HB2 :: 3.019 HB3 :: 2.536 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 :: 118.736 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.F58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.61 C 0.37 C Shift Assignments>> C :: 175.342 CA :: 60.600 CB :: 37.841 CD1 :: 131.199 CD2 :: 131.199 CE1 :: 130.106 CE2 :: 130.106 CZ :: 128.465 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 :: 9.479 HA :: 4.050 HB2 :: 3.301 HB3 :: 2.866 HD1 :: 7.069 HD2 :: 7.069 HE1 :: 7.065 HE2 :: 7.065 HZ :: 7.065 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 :: 125.310 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.S59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.342 CA :: 59.382 CB :: 64.236 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.129 HA :: 4.582 HB2 :: 4.098 HB3 :: 3.921 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.881 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.36 R 0.16 M 0.01 G 0.01 C Shift Assignments>> C :: 175.001 CA :: 54.797 CB :: 35.958 CG :: 24.587 CD :: 29.062 CE :: 42.033 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 :: 7.160 HA :: 4.590 HB2 :: 1.729 HB3 :: 1.521 HG2 :: 1.333 HG3 :: 1.226 HD2 :: 1.545 HD3 :: 1.545 HE2 :: 3.247 HE3 :: 3.193 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 :: 122.463 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.404 CA :: 57.093 CB :: 65.002 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.471 HA :: 4.997 HB2 :: 3.494 HB3 :: 3.494 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 :: 117.404 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.22 R 0.19 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.559 CA :: 44.370 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.003 HA2 :: 4.372 HA3 :: 3.841 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.046 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.18 C 0.17 Y 0.1 F 0.08 L 0.03 E 0.01 C Shift Assignments>> C :: 175.932 CA :: 53.718 CB :: 38.737 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 :: 8.696 HA :: 5.129 HB2 :: 2.555 HB3 :: 2.458 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.062 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 173.094 CA :: 45.900 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.844 HA2 :: 4.769 HA3 :: 3.642 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.119 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.C65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 C 0.32 L 0.08 C Shift Assignments>> C :: 173.048 CA :: 57.184 CB :: 46.795 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.525 HA :: 5.669 HB2 :: 3.493 HB3 :: 2.444 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 113.906 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 V 0.24 A 0.02 I 0.01 C Shift Assignments>> C :: 176.769 CA :: 58.483 CB :: 35.689 CG1 :: 21.986 CG2 :: 20.285 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 :: 9.099 HA :: 5.322 HB :: 2.221 HG11 :: 0.917 HG12 :: 0.917 HG13 :: 0.917 HG21 :: 0.946 HG22 :: 0.946 HG23 :: 0.946 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 :: 114.173 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.25 L 0.13 C 0.12 F 0.04 K 0.04 Y 0.04 R 0.01 C Shift Assignments>> C :: 176.645 CA :: 52.093 CB :: 40.826 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.140 HA :: 4.657 HB2 :: 3.385 HB3 :: 2.507 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.427 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 L 0.16 F 0.16 D 0.13 Y 0.13 C 0.13 R 0.04 N 0.02 I 0.02 C Shift Assignments>> C :: 174.955 CA :: 56.615 CB :: 41.128 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 :: 8.217 HA :: 4.668 HB2 :: 2.981 HB3 :: 2.734 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 :: 116.174 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.C69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 C 0.18 L 0.13 R 0.01 C Shift Assignments>> C :: 175.684 CA :: 55.124 CB :: 46.168 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.111 HA :: 4.847 HB2 :: 3.540 HB3 :: 3.067 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 110.668 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 173.342 CA :: 46.124 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.253 HA2 :: 4.066 HA3 :: 3.360 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.495 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.466 CA :: 57.651 CB :: 63.808 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.572 HA :: 4.672 HB2 :: 3.902 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 :: 119.068 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.M72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.27 C 0.27 M 0.17 R 0.14 Q 0.11 E 0.01 C Shift Assignments>> C :: 177.404 CA :: 55.067 CB :: 29.584 CG :: 31.838 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 :: 8.442 HA :: 5.132 HB2 :: 1.964 HB3 :: 1.923 HG2 :: 2.588 HG3 :: 2.505 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 :: 122.197 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.15 C Shift Assignments>> C :: 171.141 CA :: 60.077 CB :: 71.046 CG2 :: 19.658 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 :: 9.054 HA :: 4.630 HB :: 3.808 HG21 :: 0.882 HG22 :: 0.882 HG23 :: 0.882 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.263 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.544 CA :: 57.453 CB :: 64.032 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.493 HA :: 4.976 HB2 :: 3.728 HB3 :: 3.745 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.223 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.C75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.15 C 0.12 R 0.03 D 0.01 HN Overlap>> 1.L87 1.L87 C Shift Assignments>> C :: 173.590 CA :: 54.497 CB :: 45.541 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.893 HA :: 5.001 HB2 :: 3.497 HB3 :: 3.351 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.941 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.R76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.35 K 0.17 G 0.06 C Shift Assignments>> C :: 176.660 CA :: 56.378 CB :: 31.301 CG :: 27.5 CD :: 43.277 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 :: 8.753 HA :: 4.469 HB2 :: 1.949 HB3 :: 1.859 HG2 :: 1.736 HG3 :: 1.736 HD2 :: 3.263 HD3 :: 3.191 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.496 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.G77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.56 L 0.17 R 0.11 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.776 CA :: 44.729 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.855 HA2 :: 2.914 HA3 :: 1.957(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.292 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 173.125 CA :: 55.426 CB :: 65.764 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.527 HA :: 4.380 HB2 :: 3.462 HB3 :: 3.317 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.019 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 176.769 CA :: 64.077 CB :: 31.659 CG1 :: 22.228 CG2 :: 22.228 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 :: 8.464 HA :: 3.805 HB :: 1.767 HG11 :: 0.819 HG12 :: 0.819 HG13 :: 0.819 HG21 :: 0.506 HG22 :: 0.506 HG23 :: 0.506 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 :: 125.853 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.056 CA :: 57.764 CB :: 63.966 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.904 HA :: 4.533 HB2 :: 3.792 HB3 :: 3.792 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 124.609 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.23 R 0.21 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 170.474 CA :: 44.306 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.929 HA2 :: 3.934 HA3 :: 4.13 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.855 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.17 C Shift Assignments>> C :: 176.6 CA :: 63.531 CB :: 31.530 CG :: 27.764 CD :: 49.227 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 :: 4.306 HB2 :: 2.110 HB3 :: 1.958 HG2 :: 1.943 HG3 :: 2.157 HD2 :: 3.578 HD3 :: 3.578 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.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.939 CA :: 57.258 CB :: 63.440 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.744 HA :: 4.826 HB2 :: 3.932 HB3 :: 3.416 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 :: 119.57 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 176.087 CA :: 63.1 CB :: 70.7 CG2 :: 21.8 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 :: 8.752 HA :: 4.68 HB :: 4.30 HG21 :: 1.24 HG22 :: 1.24 HG23 :: 1.24 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.938 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.986 CA :: 57.349 CB :: 63.360 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.457 HA :: 4.591 HB2 :: 3.793 HB3 :: 3.618 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.338 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.H86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 H 0.35 W 0.22 C Shift Assignments>> C :: 174.118 CA :: 54.528 CB :: 32.571 CD2 :: 118.623 CE1 :: 138.854 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 :: 7.286 HA :: 5.314 HB2 :: 2.809 HB3 :: 1.971 HD2 :: 6.634 HE1 :: 7.75 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 :: 118.569 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 G 0.22 C 0.18 R 0.02 HN Overlap>> 1.C75 1.C75 C Shift Assignments>> C :: 176.846 CA :: 52.476 CB :: 43.488 CG :: 25.8 CD1 :: 25.8 CD2 :: 25.8 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.862 HA :: 4.68 HB2 :: 1.07 HB3 :: 1.51 HG :: 1.61 HD11 :: 0.48 HD12 :: 0.48 HD13 :: 0.48 HD21 :: 0.42 HD22 :: 0.42 HD23 :: 0.42 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.875 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.T88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 175.094 CA :: 64.145 CB :: 68.863 CG2 :: 23.0331 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 :: 9.07 HA :: 4.197 HB :: 4.248 HG21 :: 1.215 HG22 :: 1.215 HG23 :: 1.215 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 125.0 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.R89 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.34 R 0.31 K 0.27 G 0.06 C Shift Assignments>> C :: 171.947 CA :: 52.616 CB :: 31.648 CG :: 25.676 CD :: 42.676 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.791 HA :: 5.009 HB2 :: 1.505 HB3 :: 1.94 HG2 :: 0.94 HD2 :: 3.00 HD3 :: 2.28(S) 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 :: 130.078 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.P90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.51 P 0.48 C Shift Assignments>> C :: 179.854 CA :: 66.2 CB :: 31.9 CG :: 28.4 CD :: 51.6 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 :: 4.68 HB2 :: 2.3 HB3 :: 2.80 HG2 :: 2.19 HD2 :: 3.68 HD3 :: 3.78 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.S91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.761 CA :: 61.595 CB :: 62.331 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.323 HA :: 3.897 HB2 :: 3.882 HB3 :: 3.882 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.164 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 C 0.33 E 0.26 K 0.02 M 0.01 C Shift Assignments>> C :: 179.467 CA :: 60.280 CB :: 29.688 CG :: 37.212 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 :: 9.330 HA :: 4.072 HB2 :: 2.288 HB3 :: 2.150 HG2 :: 2.546 HG3 :: 2.329 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 :: 122.480 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.48 C Shift Assignments>> C :: 178.474 CA :: 57.794 CB :: 40.220 CG :: 26.038 CD1 :: 23.135 CD2 :: 24.0308 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 :: 7.977 HA :: 4.123 HB2 :: 1.845 HB3 :: 0.832 HG :: 1.051 HD11 :: 0.864 HD12 :: 0.864 HD13 :: 0.864 HD21 :: 0.244 HD22 :: 0.244 HD23 :: 0.244 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.875 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.Q94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 K 0.24 Q 0.24 E 0.09 R 0.08 M 0.03 I 0.01 C Shift Assignments>> C :: 177.436 CA :: 58.169 CB :: 28.435 CG :: 33.675 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 :: 8.312 HA :: 3.615 HB2 :: 2.423 HB3 :: 2.092 HE21 :: 7.844 HE22 :: 6.842 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.4 NE2 :: 115.1010 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.36 I 0.03 C 0.02 C Shift Assignments>> C :: 180.660 CA :: 55.067 CB :: 17.956 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.604 HA :: 4.235 HB1 :: 1.537 HB2 :: 1.537 HB3 :: 1.537 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.047 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 177.467 CA :: 66.123 CB :: 31.301 CG1 :: 22.137 CG2 :: 22.137 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 :: 7.128 HA :: 3.739 HB :: 2.124 HG11 :: 1.045 HG12 :: 1.045 HG13 :: 1.045 HG21 :: 0.752 HG22 :: 0.752 HG23 :: 0.752 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 :: 119.332 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.I97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 C 0.04 C Shift Assignments>> C :: 177.560 CA :: 66.663 CB :: 37.839 CG1 :: 29.957 CG2 :: 17.419 CD1 :: 12.761 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 :: 7.178 HA :: 3.414 HB :: 2.021 HG12 :: 1.564 HG13 :: 0.471 HG21 :: 0.917 HG22 :: 0.917 HG23 :: 0.917 HD11 :: 0.431 HD12 :: 0.431 HD13 :: 0.431 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 :: 119.943 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.2 C 0.16 K 0.11 L 0.11 D 0.09 I 0.05 R 0.01 N 0.01 C Shift Assignments>> C :: 179.141 CA :: 57.494 CB :: 40.555 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 :: 8.398 HA :: 4.285 HB2 :: 2.690 HB3 :: 2.690 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 :: 115.371 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S102 1.S102 C Shift Assignments>> C :: 177.591 CA :: 60.550 CB :: 63.966 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.259 HA :: 4.396 HB2 :: 4.018 HB3 :: 3.905 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.514 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.D100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 L 0.19 K 0.16 C 0.11 F 0.11 Y 0.09 N 0.05 R 0.04 C Shift Assignments>> C :: 179.094 CA :: 55.302 CB :: 41.199 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 :: 8.761 HA :: 4.885 HB2 :: 2.901 HB3 :: 2.702 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.435 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.28 R 0.17 M 0.03 G 0.03 C Shift Assignments>> C :: 177.591 CA :: 60.919 CB :: 31.392 CG :: 23.770 CD :: 29.940 CE :: 42.370 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 :: 8.267 HA :: 4.300 HB2 :: 2.032 HB3 :: 1.989 HG2 :: 1.677 HG3 :: 1.373 HD2 :: 1.673 HD3 :: 1.563 HE2 :: 3.060 HE3 :: 3.060 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.484 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S99 1.S99 C Shift Assignments>> C :: 176.722 CA :: 60.738 CB :: 62.826 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.259 HA :: 4.300 HB2 :: 3.941 HB3 :: 3.941 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.514 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.N103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 C 0.21 Y 0.15 D 0.13 F 0.11 E 0.04 L 0.03 I 0.01 M 0.01 C Shift Assignments>> C :: 175.141 CA :: 54.707 CB :: 38.376 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.90156 HA :: 4.460 HB2 :: 2.448 HB3 :: 2.229 HD21 :: 6.977 HD22 :: 7.103 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.07215 ND2 :: 112.75 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.Y104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 Y 0.33 C Shift Assignments>> C :: 175.513 CA :: 58.796 CB :: 41.242 CD1 :: 135.027 CD2 :: 135.027 CE1 :: 116.983 CE2 :: 116.983 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.507 HA :: 4.582 HB2 :: 3.230 HB3 :: 3.125 HD1 :: 7.161 HD2 :: 7.161 HE1 :: 6.625 HE2 :: 6.625 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 :: 115.737 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.C105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.17 D 0.16 Y 0.15 L 0.15 C 0.14 K 0.12 N 0.04 I 0.02 R 0.02 C Shift Assignments>> C :: 175.110 CA :: 56.325 CB :: 40.684 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.221 HA :: 4.547 HB2 :: 3.673 HB3 :: 3.082 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.008 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.T106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.133 CA :: 61.809 CB :: 70.438 CG2 :: 21.593 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 :: 8.457 HA :: 4.469 HB :: 4.348 HG21 :: 1.233 HG22 :: 1.233 HG23 :: 1.233 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.972 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.19 K 0.13 C 0.11 F 0.09 Y 0.08 N 0.07 R 0.03 C Shift Assignments>> C :: 176.288 CA :: 54.780 CB :: 41.152 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 :: 8.126 HA :: 4.640 HB2 :: 2.713 HB3 :: 2.713 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.953 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.K108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.18 M 0.03 G 0.01 C Shift Assignments>> C :: 176.862 CA :: 56.505 CB :: 32.823 CG :: 24.677 CD :: 29.214 CE :: 42.189 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 :: 8.379 HA :: 4.405 HB2 :: 1.947 HB3 :: 1.772 HG2 :: 1.455 HD2 :: 1.549 HE2 :: 2.888 HE3 :: 2.811 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 :: 122.900 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.S109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.598 CA :: 59.022 CB :: 63.876 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.384 HA :: 4.396 HB2 :: 3.897 HB3 :: 3.897 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.075 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.E110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.14 R 0.13 E 0.13 W 0.13 Q 0.13 C 0.11 K 0.09 M 0.06 I 0.01 C Shift Assignments>> C :: 176.350 CA :: 56.565 CB :: 30.047 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 :: 8.397 HA :: 4.340 HB2 :: 2.087 HB3 :: 1.945 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 :: 122.349 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.Q111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 K 0.25 M 0.17 Q 0.17 R 0.1 E 0.02 HN Overlap>> 1.E121 1.E121 C Shift Assignments>> C :: 175.715 CA :: 55.824 CB :: 29.783 CG :: 32.2324 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 :: 8.27748 HA :: 4.309 HB2 :: 2.098 HB3 :: 1.989 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 :: 121.05608 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.Q112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 Q 0.15 C 0.14 K 0.14 W 0.1 R 0.09 E 0.07 L 0.05 M 0.04 C Shift Assignments>> C :: 173.994 CA :: 53.884 CB :: 28.962 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 :: 8.42718 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.72885 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.P113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.61 C 0.38 C Shift Assignments>> CA :: 62.379 CB :: 34.317 CG :: 27.181 CD :: 50.467 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) FLAG polypeptide(L) 1.S114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.707 CA :: 58.736 CB :: 63.775 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.495 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.376 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.Q115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.21 E 0.13 M 0.12 R 0.03 C Shift Assignments>> C :: 175.435 CA :: 55.945 CB :: 29.821 CG :: 33.898 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 :: 8.363 HA :: 4.394 HB2 :: 1.989 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.111 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.A116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.18 C 0.02 L 0.01 C Shift Assignments>> C :: 177.513 CA :: 52.392 CB :: 19.485 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.305 HA :: 4.371 HB1 :: 1.362 HB2 :: 1.362 HB3 :: 1.362 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.423 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.T117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 172.381 CA :: 59.555 CB :: 69.628 CG2 :: 21.628 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 :: 8.162 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.505 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.P118 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.P119 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.P120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 176.691 CA :: 63.067 CB :: 32.286 CG :: 27.808 CD :: 50.825 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) FLAG polypeptide(L) 1.E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.37 M 0.09 K 0.05 I 0.05 Q 0.02 HN Overlap>> 1.Q111 1.Q111 C Shift Assignments>> C :: 176.025 CA :: 56.378 CB :: 30.315 CG :: 36.674 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 :: 8.377 HA :: 4.263 HB2 :: 2.010 HB3 :: 1.923 HG2 :: 2.254 HG3 :: 2.265 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 :: 121.041 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.I122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.43 A 0.01 HN Overlap>> 1.K17 1.K17 C Shift Assignments>> C :: 173.761 CA :: 58.436 CB :: 39.035 CG1 :: 27.270 CG2 :: 17.687 CD1 :: 13.1 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 :: 8.149 HA :: 4.50 HB :: 1.90 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.972 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.P123 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 115 #Clerical: 0 #Suspicious: 6 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 116 #Suspicious: 2 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 122 #Suspicious: 1 C Shift Results: #Consistent: 477 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 2 H Shift Results: #Consistent: 667 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 1 N Shift Results: #Consistent: 121 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A34 HA = 5.887(S), Expected = 4.26, Std = 0.4200, ChiSquare = 1.0715e-04 1.R35 HH21 = 8.430(A), Expected = 6.72, Std = 0.3200, ChiSquare = 9.1043e-08 1.K38 H = 10.618(S), Expected = 8.22, Std = 0.6400, ChiSquare = 1.7905e-04 1.W48 Typing: Suspicious 1.W48 CZ2 = 133.930(A), Expected = 114.19, Std = 1.0900, ChiSquare = 2.6531e-73 1.W48 CH2 = 118.070(A), Expected = 123.75, Std = 1.3400, ChiSquare = 2.2471e-05 1.W48 SRO Rule Break>> CD1 > CZ2 : 1 1.W48 SRO Rule Break>> CH2 > CZ2 : 0.990049751243781 1.Y51 Typing: Suspicious 1.Y51 CE1 = 127.372(S), Expected = 117.81, Std = 2.0900, ChiSquare = 4.7595e-06 1.Y51 CE2 = 127.372(S), Expected = 117.91, Std = 2.6000, ChiSquare = 2.7345e-04 1.L56 HB3 = -0.060(S), Expected = 1.57, Std = 0.3600, ChiSquare = 5.9607e-06 1.L56 HD21 = -0.198(S), Expected = 0.76, Std = 0.2800, ChiSquare = 6.2293e-04 1.L56 HD22 = -0.198(S), Expected = 0.76, Std = 0.2800, ChiSquare = 6.2293e-04 1.L56 HD23 = -0.198(S), Expected = 0.76, Std = 0.2800, ChiSquare = 6.2293e-04 1.G77 HA3 = 1.957(S), Expected = 3.93, Std = 0.4000, ChiSquare = 8.1184e-07 1.R89 HD3 = 2.28(S), Expected = 3.13, Std = 0.2200, ChiSquare = 1.1171e-04