Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.31 A 0.22 C Shift Assignments>> C :: 175.770 CA :: 54.140 CB :: 40.996 CG :: 25.600 CD1 :: 23.500 CD2 :: 21.800 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 :: 8.563 HA :: 4.333 HB2 :: 1.610 HB3 :: 1.610 HG :: 1.582 HD11 :: 0.910 HD12 :: 0.910 HD13 :: 0.910 HD21 :: 0.830 HD22 :: 0.830 HD23 :: 0.830 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 :: 124.260 Ave N Shift Values>> N :: 121.98(4.07) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.26 G 0.24 C 0.1 D 0.03 F 0.03 Y 0.02 K 0.01 HN Overlap>> 1.G38 1.G38 C Shift Assignments>> C :: 173.040 CA :: 44.000 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.508 HA2 :: 3.940 HA3 :: 3.990 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.120 Ave N Shift Values>> N :: 109.91(4.29) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.600 CA :: 57.200 CB :: 62.500 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.205 HA :: 4.380 HB2 :: 3.868 HB3 :: 3.868 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) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.26 K 0.24 E 0.14 R 0.04 M 0.02 I 0.01 C Shift Assignments>> C :: 173.560 CA :: 55.970 CB :: 28.440 CG :: 34.400 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 :: 8.653 HA :: 4.340 HB2 :: 1.967 HB3 :: 1.967 HG2 :: 2.281 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 :: 124.492 Ave N Shift Values>> N :: 120.68(3.68) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.800 CA :: 57.200 CB :: 62.240 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.229 HA :: 4.380 HB2 :: 3.868 HB3 :: 3.868 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 :: 117.967 Ave N Shift Values>> N :: 116.3(3.95) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.28 A 0.26 HN Overlap>> 1.A35 1.A35 C Shift Assignments>> C :: 175.750 CA :: 53.490 CB :: 40.992 CG :: 25.600 CD1 :: 23.500 CD2 :: 21.800 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 :: 8.132 HA :: 4.385 HB2 :: 1.574 HB3 :: 1.574 HG :: 1.610 HD11 :: 0.910 HD12 :: 0.910 HD13 :: 0.910 HD21 :: 0.830 HD22 :: 0.830 HD23 :: 0.830 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.509 Ave N Shift Values>> N :: 121.98(4.07) 1.M9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.34 A 0.2 C Shift Assignments>> C :: 173.010 CA :: 52.140 CB :: 31.000 CG :: 31.000 CE :: 15.500 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 :: 8.270 HA :: 4.800 HB2 :: 1.950 HB3 :: 2.050 HG2 :: 2.563 HG3 :: 2.563 HE1 :: 2.100 HE2 :: 2.100 HE3 :: 2.100 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 :: 123.827 Ave N Shift Values>> N :: 120.1(3.88) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.52 C 0.45 G 0.02 C Shift Assignments>> C :: 175.730 CA :: 62.250 CB :: 31.000 CG :: 25.860 CD :: 48.700 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 :: 4.440 HB2 :: 1.963 HB3 :: 2.309 HG2 :: 2.020 HG3 :: 2.020 HD2 :: 3.608 HD3 :: 3.685 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) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.730 CA :: 57.280 CB :: 62.238 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.344 HA :: 4.380 HB2 :: 3.868 HB3 :: 3.868 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 :: 117.068 Ave N Shift Values>> N :: 116.3(3.95) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 K 0.21 E 0.2 Q 0.19 M 0.02 R 0.02 I 0.01 HN Overlap>> 1.M23 1.M23 C Shift Assignments>> C :: 174.400 CA :: 54.750 CB :: 28.440 CG :: 35.200 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 :: 8.355 HA :: 4.324 HB2 :: 1.986 HB3 :: 1.986 HG2 :: 2.300 HG3 :: 2.300 HE21 :: 7.510 HE22 :: 6.850 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 :: 123.610 NE2 :: 114.200 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 174.590 CA :: 60.930 CB :: 31.579 CG1 :: 20.000 CG2 :: 20.000 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 :: 8.059 HA :: 4.050 HB :: 1.994 HG11 :: 0.906 HG12 :: 0.906 HG13 :: 0.906 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 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 :: 123.241 Ave N Shift Values>> N :: 121.02(4.96) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 174.590 CA :: 60.930 CB :: 31.579 CG1 :: 20.000 CG2 :: 20.000 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 :: 8.197 HA :: 4.125 HB :: 2.040 HG11 :: 0.906 HG12 :: 0.906 HG13 :: 0.906 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 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 :: 126.482 Ave N Shift Values>> N :: 121.02(4.96) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.26 R 0.15 M 0.04 A 0.03 C Shift Assignments>> C :: 175.570 CA :: 55.340 CB :: 31.610 CG :: 23.000 CD :: 27.500 CE :: 40.700 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 :: 8.441 HA :: 4.315 HB2 :: 1.780 HB3 :: 1.780 HG2 :: 1.420 HG3 :: 1.420 HD2 :: 1.650 HD3 :: 1.650 HE2 :: 2.980 HE3 :: 2.980 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.770 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.26 G 0.24 C 0.1 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.030 CA :: 44.000 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.489 HA2 :: 3.934 HA3 :: 3.996 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.507 Ave N Shift Values>> N :: 109.91(4.29) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.26 G 0.24 C 0.1 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.450 CA :: 44.000 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.266 HA2 :: 3.934 HA3 :: 3.996 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.548 Ave N Shift Values>> N :: 109.91(4.29) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.14 C 0.01 C Shift Assignments>> C :: 176.160 CA :: 51.000 CB :: 17.870 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.148 HA :: 4.237 HB1 :: 1.225 HB2 :: 1.225 HB3 :: 1.225 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.116 Ave N Shift Values>> N :: 123.23(3.7) 1.F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 F 0.43 HN Overlap>> 1.N24 1.N24 C Shift Assignments>> C :: 174.190 CA :: 56.192 CB :: 37.819 CD1 :: 131.500 CD2 :: 131.500 CE1 :: 131.500 CE2 :: 131.500 CZ :: 131.500 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 :: 8.255 HA :: 4.525 HB2 :: 3.100 HB3 :: 3.100 HD1 :: 7.180 HD2 :: 7.180 HE1 :: 7.300 HE2 :: 7.300 HZ :: 7.270 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.862 Ave N Shift Values>> N :: 120.69(4.18) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.28 C 0.13 L 0.07 Y 0.06 F 0.06 K 0.01 C Shift Assignments>> C :: 175.180 CA :: 52.900 CB :: 39.800 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.091 HA :: 4.560 HB2 :: 2.595 HB3 :: 2.658 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 :: 124.219 Ave N Shift Values>> N :: 120.73(4.2) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 L 0.24 R 0.23 C 0.1 F 0.02 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 173.410 CA :: 44.200 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.970 HA2 :: 3.868 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 :: 111.020 Ave N Shift Values>> N :: 109.91(4.29) 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 173.410 CA :: 60.980 CB :: 68.500 CG2 :: 20.110 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 :: 8.119 HA :: 4.324 HB :: 4.210 HG21 :: 1.180 HG22 :: 1.180 HG23 :: 1.180 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 :: 115.083 Ave N Shift Values>> N :: 115.7(5.05) 1.M23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.39 A 0.11 HN Overlap>> 1.Q12 1.Q12 C Shift Assignments>> C :: 174.400 CA :: 54.160 CB :: 31.000 CG :: 31.000 CE :: 15.500 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 :: 8.352 HA :: 4.521 HB2 :: 1.974 HB3 :: 2.112 HG2 :: 2.512 HG3 :: 2.512 HE1 :: 2.100 HE2 :: 2.100 HE3 :: 2.100 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 :: 123.630 Ave N Shift Values>> N :: 120.1(3.88) 1.N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 C 0.2 D 0.09 Y 0.04 F 0.03 E 0.01 M 0.01 L 0.01 HN Overlap>> 1.L108 1.F19 1.L108 1.F19 C Shift Assignments>> C :: 171.950 CA :: 51.600 CB :: 37.880 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 :: 8.330 HA :: 4.452 HB2 :: 2.794 HB3 :: 2.904 HD21 :: 7.530 HD22 :: 6.890 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.822 ND2 :: 114.440 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.27 G 0.08 C 0.08 D 0.05 K 0.04 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 171.070 CA :: 43.400 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.075 HA2 :: 3.807 HA3 :: 3.807 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.707 Ave N Shift Values>> N :: 109.91(4.29) 1.P26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.69 P 0.19 G 0.11 C Shift Assignments>> C :: 175.170 CA :: 62.250 CB :: 30.370 CG :: 25.300 CD :: 48.100 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 :: 4.125 HB2 :: 2.045 HB3 :: 2.315 HG2 :: 1.920 HG3 :: 1.920 HD2 :: 3.313 HD3 :: 3.390 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) 1.F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 F 0.42 C Shift Assignments>> C :: 174.590 CA :: 56.070 CB :: 37.580 CD1 :: 131.500 CD2 :: 131.500 CE1 :: 131.500 CE2 :: 131.500 CZ :: 131.500 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 :: 8.059 HA :: 4.525 HB2 :: 2.855 HB3 :: 2.855 HD1 :: 7.200 HD2 :: 7.230 HE1 :: 7.300 HE2 :: 7.300 HZ :: 7.270 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.393 Ave N Shift Values>> N :: 120.69(4.18) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.3 L 0.24 R 0.24 C 0.1 F 0.02 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 172.440 CA :: 44.170 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.968 HA2 :: 3.868 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 :: 111.330 Ave N Shift Values>> N :: 109.91(4.29) 1.H29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.42 W 0.31 C 0.26 C Shift Assignments>> C :: 174.200 CA :: 54.760 CB :: 29.100 CD2 :: 120.000 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 :: 8.197 HA :: 4.680 HB2 :: 2.864 HB3 :: 3.040 HD2 :: 7.100 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 :: 120.453 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.27 G 0.26 L 0.25 C 0.1 D 0.03 F 0.03 Y 0.01 K 0.01 C Shift Assignments>> C :: 172.630 CA :: 44.060 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.425 HA2 :: 3.864 HA3 :: 3.864 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.722 Ave N Shift Values>> N :: 109.91(4.29) 1.Y31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 F 0.31 Y 0.3 HN Overlap>> 1.E37 1.E37 C Shift Assignments>> C :: 174.990 CA :: 56.880 CB :: 37.242 CD1 :: 131.200 CD2 :: 131.200 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 :: 8.197 HA :: 4.515 HB2 :: 2.908 HB3 :: 3.021 HD1 :: 7.182 HD2 :: 7.122 HE1 :: 6.928 HE2 :: 6.928 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 :: 122.031 Ave N Shift Values>> N :: 120.79(4.69) 1.G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.27 G 0.26 L 0.25 C 0.1 D 0.03 F 0.03 Y 0.01 K 0.01 C Shift Assignments>> C :: 172.650 CA :: 44.060 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.401 HA2 :: 3.803 HA3 :: 3.803 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.777 Ave N Shift Values>> N :: 109.91(4.29) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.21 Q 0.21 K 0.2 M 0.05 R 0.01 I 0.01 C Shift Assignments>> C :: 175.760 CA :: 55.300 CB :: 29.100 CG :: 35.000 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 :: 8.238 HA :: 4.250 HB2 :: 1.907 HB3 :: 1.907 HG2 :: 2.186 HG3 :: 2.186 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 :: 122.227 Ave N Shift Values>> N :: 120.68(3.68) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.26 G 0.24 C 0.1 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.640 CA :: 44.000 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.498 HA2 :: 3.870 HA3 :: 3.870 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.957 Ave N Shift Values>> N :: 109.91(4.29) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.14 C 0.01 HN Overlap>> 1.L8 1.L8 C Shift Assignments>> C :: 176.740 CA :: 51.000 CB :: 17.870 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.197 HA :: 4.300 HB1 :: 1.330 HB2 :: 1.330 HB3 :: 1.330 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.545 Ave N Shift Values>> N :: 123.23(3.7) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.26 G 0.24 C 0.1 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.830 CA :: 44.000 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.384 HA2 :: 3.868 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 :: 109.924 Ave N Shift Values>> N :: 109.91(4.29) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.21 Q 0.21 K 0.2 M 0.05 R 0.01 I 0.01 HN Overlap>> 1.Y31 1.Y31 C Shift Assignments>> C :: 175.760 CA :: 55.300 CB :: 29.100 CG :: 35.000 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 :: 8.246 HA :: 4.250 HB2 :: 1.907 HB3 :: 1.907 HG2 :: 2.186 HG3 :: 2.186 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 :: 122.108 Ave N Shift Values>> N :: 120.68(3.68) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.26 G 0.24 C 0.1 D 0.03 F 0.03 Y 0.02 K 0.01 HN Overlap>> 1.G4 1.G4 C Shift Assignments>> C :: 172.840 CA :: 44.000 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.552 HA2 :: 3.927 HA3 :: 3.927 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.089 Ave N Shift Values>> N :: 109.91(4.29) 1.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.44 C Shift Assignments>> C :: 174.600 CA :: 59.750 CB :: 37.200 CG1 :: 25.800 CG2 :: 15.570 CD1 :: 11.500 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 :: 7.921 HA :: 4.120 HB :: 1.800 HG12 :: 1.068 HG13 :: 1.338 HG21 :: 0.831 HG22 :: 0.831 HG23 :: 0.831 HD11 :: 0.791 HD12 :: 0.791 HD13 :: 0.791 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 :: 121.250 Ave N Shift Values>> N :: 121.6(4.72) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.28 C 0.13 L 0.07 Y 0.06 F 0.06 K 0.01 C Shift Assignments>> C :: 174.590 CA :: 52.900 CB :: 39.760 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 :: 8.368 HA :: 4.595 HB2 :: 2.595 HB3 :: 2.658 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 :: 124.923 Ave N Shift Values>> N :: 120.73(4.2) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.28 C 0.13 L 0.07 Y 0.06 F 0.06 K 0.01 HN Overlap>> 1.R137 1.R137 C Shift Assignments>> C :: 174.780 CA :: 52.900 CB :: 39.760 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 :: 8.173 HA :: 4.595 HB2 :: 2.595 HB3 :: 2.658 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 :: 122.615 Ave N Shift Values>> N :: 120.73(4.2) 1.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 C Shift Assignments>> C :: 174.600 CA :: 60.460 CB :: 31.579 CG1 :: 21.500 CG2 :: 19.000 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 :: 7.947 HA :: 4.130 HB :: 2.092 HG11 :: 0.912 HG12 :: 0.912 HG13 :: 0.912 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 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 :: 120.935 Ave N Shift Values>> N :: 121.02(4.96) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.28 C 0.27 R 0.21 M 0.13 Q 0.07 C Shift Assignments>> C :: 174.780 CA :: 55.300 CB :: 29.120 CG :: 31.500 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 :: 8.494 HA :: 4.250 HB2 :: 1.981 HB3 :: 1.981 HG2 :: 2.234 HG3 :: 2.234 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 :: 127.422 Ave N Shift Values>> N :: 120.68(3.68) 1.W44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 W 0.43 H 0.05 C Shift Assignments>> CA :: 54.110 CB :: 27.000 CD1 :: 127.600 CE3 :: 122.000 CZ2 :: 112.600 CZ3 :: 121.300 CH2 :: 124.600 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 :: 8.831 HA :: 5.190 HB2 :: 2.850 HB3 :: 3.524 HD1 :: 7.480 HE1 :: 9.460 HE3 :: 7.680 HZ2 :: 7.238 HZ3 :: 7.100 HH2 :: 7.317 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 :: 125.901 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.41 I 0.05 C Shift Assignments>> CA :: 63.500 CB :: 30.420 CG1 :: 18.700 CG2 :: 19.500 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 :: 9.190 HA :: 3.865 HB :: 2.118 HG11 :: 0.805 HG12 :: 0.805 HG13 :: 0.805 HG21 :: 0.805 HG22 :: 0.805 HG23 :: 0.805 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 :: 130.970 Ave N Shift Values>> N :: 121.02(4.96) 1.V46 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Indeterminable PRTL>> C 0.54 V 0.44 C Shift Assignments>> C :: 173.400 CA :: 60.700 CB :: 29.280 CG1 :: 20.700 CG2 :: 22.420 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>> HA :: 3.022 HB :: -1.219(A) HG11 :: -0.175(S) HG12 :: -0.175(S) HG13 :: -0.175(S) HG21 :: 0.505 HG22 :: 0.505 HG23 :: 0.505 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) 1.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> C :: 174.780 CA :: 46.600 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.330 HA2 :: 3.536 HA3 :: 4.133 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.900 Ave N Shift Values>> N :: 109.91(4.29) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 R 0.21 K 0.13 M 0.03 A 0.01 L 0.01 C Shift Assignments>> C :: 175.570 CA :: 57.110 CB :: 30.420 CG :: 22.420 CD :: 27.500 CE :: 40.700 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 :: 7.578 HA :: 4.048 HB2 :: 1.712 HB3 :: 1.789 HG2 :: 1.350 HG3 :: 1.350 HD2 :: 1.642 HD3 :: 1.642 HE2 :: 3.012 HE3 :: 3.012 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 :: 120.668 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.21 N 0.11 C 0.11 K 0.1 F 0.05 R 0.05 Y 0.04 HN Overlap>> 1.E55 1.E55 C Shift Assignments>> C :: 173.810 CA :: 52.880 CB :: 41.650 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 :: 7.286 HA :: 4.778 HB2 :: 2.303 HB3 :: 2.303 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 :: 117.776 Ave N Shift Values>> N :: 120.73(4.2) 1.K50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> C 0.55 K 0.3 R 0.12 C Shift Assignments>> C :: 171.270 CA :: 60.230 CB :: 30.193 CG :: 24.700 CD :: 28.100 CE :: 40.700 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 :: 7.489 HA :: 4.040 HB2 :: 2.250 HB3 :: 2.280 HG2 :: 1.500 HG3 :: 1.850 HD2 :: 1.640 HD3 :: 1.640 HE2 :: 2.820 HE3 :: 3.150 HZ1 :: 8.630(U) HZ2 :: 8.630(U) HZ3 :: 8.630(U) 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 :: 123.278 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.37 G 0.36 P 0.25 C Shift Assignments>> C :: 178.110 CA :: 65.385 CB :: 29.740 CG :: 25.300 CD :: 48.100 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 :: 4.415 HB2 :: 1.825 HB3 :: 2.394 HG2 :: 2.047 HG3 :: 2.047 HD2 :: 3.401 HD3 :: 3.751 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) 1.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.03 C Shift Assignments>> C :: 175.170 CA :: 64.730 CB :: 67.250 CG2 :: 20.100 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 :: 7.270 HA :: 3.970 HB :: 3.930 HG21 :: 1.120 HG22 :: 1.120 HG23 :: 1.120 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 :: 114.690 Ave N Shift Values>> N :: 115.7(5.05) 1.Y53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 Y 0.3 H 0.09 C Shift Assignments>> C :: 177.710 CA :: 57.110 CB :: 35.277 CD1 :: 131.300 CD2 :: 131.300 CE1 :: 118.600 CE2 :: 118.600 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 :: 7.057 HA :: 4.716 HB2 :: 3.125 HB3 :: 3.247 HD1 :: 6.760 HD2 :: 6.760 HE1 :: 6.760 HE2 :: 6.760 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 :: 125.038 Ave N Shift Values>> N :: 120.79(4.69) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 N 0.19 Y 0.18 F 0.14 D 0.12 E 0.05 L 0.03 I 0.02 M 0.01 C Shift Assignments>> C :: 176.150 CA :: 55.400 CB :: 38.500 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 :: 9.565 HA :: 4.492 HB2 :: 2.788 HB3 :: 2.909 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 :: 124.208 Ave N Shift Values>> N :: 120.73(4.2) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.22 K 0.19 Q 0.18 I 0.05 R 0.02 M 0.01 HN Overlap>> 1.D49 1.D49 C Shift Assignments>> C :: 178.090 CA :: 57.880 CB :: 28.500 CG :: 35.000 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 :: 7.286 HA :: 4.136 HB2 :: 2.166 HB3 :: 2.204 HG2 :: 2.368 HG3 :: 2.569 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 :: 117.776 Ave N Shift Values>> N :: 120.68(3.68) 1.I56 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 :: 177.720 CA :: 62.500 CB :: 37.868 CG1 :: 26.400 CG2 :: 16.200 CD1 :: 11.500 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 :: 7.228 HA :: 3.924 HB :: 2.400 HG12 :: 1.316 HG13 :: 1.924 HG21 :: 1.106 HG22 :: 1.106 HG23 :: 1.106 HD11 :: 1.055 HD12 :: 1.055 HD13 :: 1.055 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.595 Ave N Shift Values>> N :: 121.6(4.72) 1.F57 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 F 0.38 C Shift Assignments>> C :: 175.360 CA :: 61.200 CB :: 38.281 CD1 :: 133.300 CD2 :: 133.300 CE1 :: 130.000 CE2 :: 130.000 CZ :: 131.300 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 :: 9.085 HA :: 3.069 HB2 :: 3.074 HB3 :: 3.269 HD1 :: 7.580 HD2 :: 7.580 HE1 :: 7.260 HE2 :: 7.270 HZ :: 6.830 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 127.184 Ave N Shift Values>> N :: 120.69(4.18) SRO Rule Breaks>> (HA > HB2 : 0.9952) (HA > HB3 : 0.9955) 1.Y58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 Y 0.48 H 0.02 HN Overlap>> 1.H129 1.H129 C Shift Assignments>> C :: 175.760 CA :: 60.237 CB :: 36.086 CD1 :: 133.300 CD2 :: 133.300 CE1 :: 117.300 CE2 :: 117.300 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 :: 7.888 HA :: 3.990 HB2 :: 2.886 HB3 :: 3.375 HD1 :: 7.391 HD2 :: 7.313 HE1 :: 6.870 HE2 :: 6.870 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 :: 112.386 Ave N Shift Values>> N :: 120.79(4.69) 1.T59 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 :: 174.010 CA :: 61.629 CB :: 68.515 CG2 :: 20.100 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 :: 8.059 HA :: 4.650 HB :: 4.517 HG21 :: 1.449 HG22 :: 1.449 HG23 :: 1.449 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.312 Ave N Shift Values>> N :: 115.7(5.05) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 C 0.34 L 0.01 HN Overlap>> 1.K88 1.K88 C Shift Assignments>> C :: 172.450 CA :: 52.904 CB :: 38.500 CG :: 24.150 CD1 :: 25.850 CD2 :: 20.700 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 :: 7.350 HA :: 4.443 HB2 :: 1.293 HB3 :: 1.500 HG :: 1.596 HD11 :: 0.472 HD12 :: 0.472 HD13 :: 0.472 HD21 :: 0.675 HD22 :: 0.675 HD23 :: 0.675 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.235 Ave N Shift Values>> N :: 121.98(4.07) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.92 C 0.07 C Shift Assignments>> C :: 172.450 CA :: 55.990 CB :: 60.375 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.839 HA :: 3.975 HB2 :: 3.907 HB3 :: 3.988 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.211 Ave N Shift Values>> N :: 116.3(3.95) 1.P62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.6 P 0.36 G 0.02 C Shift Assignments>> C :: 175.950 CA :: 61.600 CB :: 29.750 CG :: 26.400 CD :: 48.700 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 :: 4.180 HB2 :: 1.195 HB3 :: 1.538 HG2 :: 1.252 HG3 :: 1.863 HD2 :: 3.096 HD3 :: 3.435 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) 1.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.37 C Shift Assignments>> C :: 175.750 CA :: 60.369 CB :: 32.878 CG1 :: 19.000 CG2 :: 19.500 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 :: 8.726 HA :: 4.205 HB :: 1.950 HG11 :: 0.910 HG12 :: 0.910 HG13 :: 0.910 HG21 :: 0.924 HG22 :: 0.924 HG23 :: 0.924 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 :: 123.943 Ave N Shift Values>> N :: 121.02(4.96) 1.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 N 0.26 M 0.12 E 0.1 Y 0.04 K 0.04 Q 0.02 F 0.01 D 0.01 C Shift Assignments>> C :: 174.210 CA :: 52.940 CB :: 36.000 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.703 HA :: 4.402 HB2 :: 2.805 HB3 :: 3.092 HD21 :: 7.650 HD22 :: 6.920 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 129.450 ND2 :: 114.900 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.29 R 0.25 L 0.25 C 0.1 F 0.02 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 172.820 CA :: 44.130 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.840 HA2 :: 3.730 HA3 :: 4.253 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.484 Ave N Shift Values>> N :: 109.91(4.29) 1.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 K 0.28 R 0.03 A 0.02 C Shift Assignments>> C :: 174.600 CA :: 53.600 CB :: 36.540 CG :: 24.100 CD :: 28.100 CE :: 41.200 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 :: 7.489 HA :: 5.399 HB2 :: 1.710 HB3 :: 1.715 HG2 :: 1.307 HG3 :: 1.446 HD2 :: 1.570 HD3 :: 1.740 HE2 :: 3.060 HE3 :: 2.920 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 :: 118.362 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 I 0.16 A 0.03 C Shift Assignments>> C :: 174.200 CA :: 57.276 CB :: 39.700 CG1 :: 23.000 CG2 :: 15.570 CD1 :: 14.300 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.207 HA :: 4.979 HB :: 1.791 HG12 :: 1.441 HG13 :: 1.441 HG21 :: -0.035 HG22 :: -0.035 HG23 :: -0.035 HD11 :: 0.439 HD12 :: 0.439 HD13 :: 0.439 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 :: 117.774 Ave N Shift Values>> N :: 121.6(4.72) 1.T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.15 A 0.01 C Shift Assignments>> C :: 174.780 CA :: 59.094 CB :: 69.762 CG2 :: 20.700 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 :: 8.261 HA :: 4.501 HB :: 4.712 HG21 :: 1.335 HG22 :: 1.335 HG23 :: 1.335 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 :: 111.798 Ave N Shift Values>> N :: 115.7(5.05) 1.G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> C :: 174.600 CA :: 46.600 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.930 HA2 :: 3.541 HA3 :: 3.800 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.960 Ave N Shift Values>> N :: 109.91(4.29) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.42 C 0.01 I 0.01 C Shift Assignments>> C :: 179.090 CA :: 53.500 CB :: 17.240 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.337 HA :: 3.930 HB1 :: 1.300 HB2 :: 1.300 HB3 :: 1.300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.480 Ave N Shift Values>> N :: 123.23(3.7) 1.N71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.16 N 0.16 M 0.13 Y 0.06 K 0.06 Q 0.03 F 0.02 C Shift Assignments>> C :: 175.970 CA :: 54.108 CB :: 36.000 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 :: 7.562 HA :: 4.641 HB2 :: 2.532 HB3 :: 2.850 HD21 :: 8.107 HD22 :: 7.088 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 :: 118.164 ND2 :: 116.300 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.44 C 0.02 I 0.01 C Shift Assignments>> C :: 178.880 CA :: 54.129 CB :: 17.880 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.792 HA :: 4.090 HB1 :: 1.780 HB2 :: 1.780 HB3 :: 1.780 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.359 Ave N Shift Values>> N :: 123.23(3.7) 1.K73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.88 R 0.09 M 0.01 C Shift Assignments>> C :: 176.340 CA :: 59.130 CB :: 31.031 CG :: 27.500 CD :: 24.700 CE :: 40.100 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.815 HA :: 3.945 HB2 :: 1.680 HB3 :: 1.785 HG2 :: 1.150 HG3 :: 1.320 HD2 :: 1.272 HD3 :: 1.272 HE2 :: 2.077(S) HE3 :: 2.280 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.497 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.38 R 0.11 M 0.03 C Shift Assignments>> C :: 176.740 CA :: 58.470 CB :: 31.083 CG :: 24.200 CD :: 28.700 CE :: 40.700 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 :: 7.366 HA :: 3.988 HB2 :: 1.979 HB3 :: 1.979 HG2 :: 1.480 HG3 :: 1.510 HD2 :: 1.735 HD3 :: 1.735 HE2 :: 2.960 HE3 :: 2.960 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.059 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.25 K 0.23 E 0.15 R 0.04 M 0.02 I 0.01 C Shift Assignments>> C :: 178.300 CA :: 56.020 CB :: 28.500 CG :: 34.500 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 :: 7.123 HA :: 4.377 HB2 :: 1.993 HB3 :: 2.185 HG2 :: 2.340 HG3 :: 2.420 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 :: 117.855 Ave N Shift Values>> N :: 120.68(3.68) 1.M76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.39 I 0.03 C Shift Assignments>> C :: 177.520 CA :: 58.510 CB :: 33.500 CG :: 30.500 CE :: 16.100 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 :: 8.491 HA :: 3.997 HB2 :: 2.162 HB3 :: 2.217 HG2 :: 2.957 HG3 :: 2.957 HE1 :: 2.094 HE2 :: 2.094 HE3 :: 2.094 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 :: 120.777 Ave N Shift Values>> N :: 120.1(3.88) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 I 0.33 V 0.12 C Shift Assignments>> C :: 177.130 CA :: 63.490 CB :: 30.370 CG1 :: 17.200 CG2 :: 19.500 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 :: 8.539 HA :: 3.994 HB :: 2.319 HG11 :: 1.071 HG12 :: 1.071 HG13 :: 1.071 HG21 :: 1.042 HG22 :: 1.042 HG23 :: 1.042 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 :: 117.890 Ave N Shift Values>> N :: 121.02(4.96) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.4 R 0.11 M 0.02 C Shift Assignments>> C :: 175.760 CA :: 57.820 CB :: 30.990 CG :: 24.700 CD :: 28.700 CE :: 40.700 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 :: 7.432 HA :: 4.090 HB2 :: 1.980 HB3 :: 2.013 HG2 :: 1.436 HG3 :: 1.700 HD2 :: 1.740 HD3 :: 1.760 HE2 :: 2.960 HE3 :: 2.960 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 :: 123.689 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.410 CA :: 59.110 CB :: 64.760 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.562 HA :: 4.068 HB2 :: 3.831 HB3 :: 4.185 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 :: 114.378 Ave N Shift Values>> N :: 116.3(3.95) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 L 0.36 R 0.09 K 0.05 C Shift Assignments>> C :: 174.590 CA :: 56.650 CB :: 27.860 CG :: 23.500 CD :: 27.500 CE :: 40.700 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 :: 7.830 HA :: 3.940 HB2 :: 2.193 HB3 :: 2.040 HG2 :: 1.425 HG3 :: 1.425 HD2 :: 1.710 HD3 :: 1.710 HE2 :: 3.020 HE3 :: 3.030 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.509 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.27 A 0.19 C Shift Assignments>> C :: 172.250 CA :: 52.273 CB :: 40.399 CG :: 25.800 CD1 :: 25.300 CD2 :: 22.400 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 :: 7.497 HA :: 4.470 HB2 :: 1.061 HB3 :: 1.553 HG :: 1.587 HD11 :: 0.872 HD12 :: 0.872 HD13 :: 0.872 HD21 :: 0.933 HD22 :: 0.933 HD23 :: 0.933 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 :: 122.497 Ave N Shift Values>> N :: 121.98(4.07) 1.P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.5 P 0.48 C Shift Assignments>> CA :: 61.100 CB :: 31.100 CG :: 26.400 CD :: 49.200 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 :: 4.501 HB2 :: 2.141 HB3 :: 2.540 HG2 :: 2.069 HG3 :: 2.141 HD2 :: 3.325 HD3 :: 3.980 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) 1.N83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.22 Y 0.12 N 0.11 M 0.08 F 0.06 K 0.03 I 0.02 D 0.01 C Shift Assignments>> CA :: 55.500 CB :: 36.700 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>> HA :: 4.281 HB2 :: 2.840 HB3 :: 2.840 HD21 :: 7.680 HD22 :: 6.980 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>> ND2 :: 115.000 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.87 C 0.08 S 0.04 C Shift Assignments>> C :: 175.970 CA :: 63.474 CB :: 66.620 CG2 :: 20.700 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 :: 7.010 HA :: 4.050 HB :: 4.151 HG21 :: 1.309 HG22 :: 1.309 HG23 :: 1.309 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) 1.V85 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 :: 176.590 CA :: 64.100 CB :: 30.350 CG1 :: 21.280 CG2 :: 21.280 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.902 HA :: 3.680 HB :: 2.153 HG11 :: 0.989 HG12 :: 0.989 HG13 :: 0.989 HG21 :: 1.100 HG22 :: 1.100 HG23 :: 1.100 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 :: 124.800 Ave N Shift Values>> N :: 121.02(4.96) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 L 0.21 A 0.06 C Shift Assignments>> C :: 178.120 CA :: 56.652 CB :: 39.142 CG :: 25.000 CD1 :: 25.280 CD2 :: 21.850 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.099 HA :: 3.890 HB2 :: 1.150 HB3 :: 1.770 HG :: 1.541 HD11 :: 0.804 HD12 :: 0.804 HD13 :: 0.804 HD21 :: 0.737 HD22 :: 0.737 HD23 :: 0.737 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 :: 120.859 Ave N Shift Values>> N :: 121.98(4.07) 1.G87 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 R 0.01 C Shift Assignments>> C :: 175.200 CA :: 45.989 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.441 HA2 :: 3.932 HA3 :: 3.960 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.518 Ave N Shift Values>> N :: 109.91(4.29) 1.K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.36 R 0.14 M 0.02 HN Overlap>> 1.L60 1.L60 C Shift Assignments>> C :: 177.910 CA :: 57.910 CB :: 31.000 CG :: 24.100 CD :: 28.100 CE :: 40.700 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 :: 7.350 HA :: 4.142 HB2 :: 2.082 HB3 :: 2.082 HG2 :: 1.435 HG3 :: 1.681 HD2 :: 2.158 HD3 :: 2.158 HE2 :: 3.010 HE3 :: 3.250 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.235 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 175.190 CA :: 65.360 CB :: 36.610 CG1 :: 29.850 CG2 :: 15.570 CD1 :: 12.710 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 :: 8.124 HA :: 3.476 HB :: 1.893 HG12 :: 0.748 HG13 :: 1.885 HG21 :: 0.904 HG22 :: 0.904 HG23 :: 0.904 HD11 :: 0.649 HD12 :: 0.649 HD13 :: 0.649 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 :: 121.757 Ave N Shift Values>> N :: 121.6(4.72) 1.W90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.62 C 0.36 H 0.01 C Shift Assignments>> C :: 174.200 CA :: 59.760 CB :: 27.250 CD1 :: 127.300 CE3 :: 118.600 CZ2 :: 114.000 CZ3 :: 121.300 CH2 :: 123.300 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 :: 8.596 HA :: 3.800 HB2 :: 3.300 HB3 :: 3.416 HD1 :: 7.150 HE1 :: 10.379 HE3 :: 7.310 HZ2 :: 7.163 HZ3 :: 6.880 HH2 :: 6.770 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 :: 121.291 NE1 :: 131.993 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.37 R 0.13 M 0.02 C Shift Assignments>> C :: 178.110 CA :: 57.847 CB :: 31.100 CG :: 24.200 CD :: 28.100 CE :: 40.700 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 :: 7.489 HA :: 3.874 HB2 :: 1.969 HB3 :: 1.969 HG2 :: 1.544 HG3 :: 1.544 HD2 :: 1.748 HD3 :: 1.748 HE2 :: 3.057 HE3 :: 3.057 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.209 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.32 A 0.12 R 0.03 G 0.02 C Shift Assignments>> C :: 175.760 CA :: 55.940 CB :: 42.270 CG :: 25.890 CD1 :: 25.280 CD2 :: 21.280 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 :: 7.579 HA :: 3.995 HB2 :: 1.067 HB3 :: 1.931 HG :: 1.783 HD11 :: 0.844 HD12 :: 0.844 HD13 :: 0.844 HD21 :: 0.674 HD22 :: 0.674 HD23 :: 0.674 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 :: 119.224 Ave N Shift Values>> N :: 121.98(4.07) 1.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.23 C 0.01 C Shift Assignments>> C :: 175.580 CA :: 52.260 CB :: 17.860 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.107 HA :: 4.110 HB1 :: 1.150 HB2 :: 1.150 HB3 :: 1.150 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.645 Ave N Shift Values>> N :: 123.23(3.7) 1.D94 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.4 P 0.23 N 0.18 M 0.08 K 0.02 Q 0.01 E 0.01 Y 0.01 HN Overlap>> 1.D125 1.D125 C Shift Assignments>> C :: 177.330 CA :: 50.370 CB :: 35.384 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 :: 7.423 HA :: 4.527 HB2 :: 1.200(A) HB3 :: 2.233 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 :: 114.919 Ave N Shift Values>> N :: 120.73(4.2) 1.V95 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 :: 176.540 CA :: 64.100 CB :: 31.000 CG1 :: 20.700 CG2 :: 21.200 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 :: 8.319 HA :: 3.473 HB :: 1.792 HG11 :: 0.915 HG12 :: 0.915 HG13 :: 0.915 HG21 :: 1.045 HG22 :: 1.045 HG23 :: 1.045 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 129.221 Ave N Shift Values>> N :: 121.02(4.96) 1.D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 C 0.16 D 0.14 Y 0.04 F 0.03 L 0.01 C Shift Assignments>> C :: 174.590 CA :: 51.600 CB :: 38.500 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 :: 7.912 HA :: 4.521 HB2 :: 2.287 HB3 :: 3.120 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 :: 115.396 Ave N Shift Values>> N :: 120.73(4.2) 1.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 L 0.3 R 0.07 K 0.06 C Shift Assignments>> C :: 174.400 CA :: 56.450 CB :: 27.920 CG :: 23.600 CD :: 27.900 CE :: 40.500 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 :: 7.530 HA :: 3.840 HB2 :: 1.932 HB3 :: 2.012 HG2 :: 1.364 HG3 :: 1.364 HD2 :: 1.650 HD3 :: 1.756 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 :: 115.319 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.21 C 0.14 Y 0.05 F 0.04 L 0.03 C Shift Assignments>> C :: 176.540 CA :: 52.248 CB :: 39.100 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 :: 8.344 HA :: 4.631 HB2 :: 2.435 HB3 :: 2.987 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 :: 120.311 Ave N Shift Values>> N :: 120.73(4.2) 1.G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.16 R 0.11 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.270 CA :: 44.750 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.639 HA2 :: 3.804 HA3 :: 4.322 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.430 Ave N Shift Values>> N :: 109.91(4.29) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 G 0.32 C 0.13 A 0.03 C Shift Assignments>> C :: 174.980 CA :: 52.200 CB :: 44.120 CG :: 26.400 CD1 :: 24.700 CD2 :: 23.500 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 :: 8.149 HA :: 5.138 HB2 :: 1.526 HB3 :: 1.657 HG :: 1.531 HD11 :: 0.802 HD12 :: 0.802 HD13 :: 0.802 HD21 :: 0.901 HD22 :: 0.901 HD23 :: 0.901 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 :: 123.086 Ave N Shift Values>> N :: 121.98(4.07) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 C 0.13 L 0.08 G 0.03 C Shift Assignments>> C :: 175.960 CA :: 51.600 CB :: 42.210 CG :: 25.280 CD1 :: 25.850 CD2 :: 20.140 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 :: 8.694 HA :: 5.823 HB2 :: 1.586 HB3 :: 1.856 HG :: 1.581 HD11 :: 0.831 HD12 :: 0.831 HD13 :: 0.831 HD21 :: 0.067 HD22 :: 0.067 HD23 :: 0.067 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 :: 120.743 Ave N Shift Values>> N :: 121.98(4.07) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.25 C 0.14 L 0.04 F 0.03 Y 0.03 C Shift Assignments>> C :: 173.810 CA :: 50.980 CB :: 39.700 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 :: 9.182 HA :: 5.596 HB2 :: 2.560 HB3 :: 3.280 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 :: 123.943 Ave N Shift Values>> N :: 120.73(4.2) 1.D103 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.27 E 0.19 Y 0.17 N 0.1 F 0.09 M 0.05 I 0.03 D 0.03 K 0.02 C Shift Assignments>> C :: 178.300 CA :: 56.000 CB :: 37.238 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 :: 8.531 HA :: 2.821(S) HB2 :: 1.693(S) HB3 :: 2.051 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 :: 117.112 Ave N Shift Values>> N :: 120.73(4.2) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.18 K 0.09 Q 0.03 M 0.01 C Shift Assignments>> C :: 177.520 CA :: 59.130 CB :: 29.134 CG :: 36.200 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 :: 7.976 HA :: 4.049 HB2 :: 2.110 HB3 :: 2.110 HG2 :: 1.995 HG3 :: 2.491 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.567 Ave N Shift Values>> N :: 120.68(3.68) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.09 M 0.08 K 0.06 Q 0.04 C Shift Assignments>> C :: 177.910 CA :: 58.500 CB :: 30.376 CG :: 36.100 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 :: 8.721 HA :: 3.995 HB2 :: 2.220 HB3 :: 2.472 HG2 :: 2.310 HG3 :: 2.910 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 :: 123.027 Ave N Shift Values>> N :: 120.68(3.68) 1.F106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 C 0.42 C Shift Assignments>> C :: 176.940 CA :: 59.900 CB :: 38.513 CD1 :: 131.300 CD2 :: 131.300 CE1 :: 130.600 CE2 :: 130.600 CZ :: 131.300 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 :: 9.397 HA :: 4.210 HB2 :: 3.017 HB3 :: 3.188 HD1 :: 7.430 HD2 :: 7.500 HE1 :: 5.824 HE2 :: 5.920 HZ :: 7.300 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.455 Ave N Shift Values>> N :: 120.69(4.18) 1.A107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.36 I 0.02 C 0.01 C Shift Assignments>> C :: 176.730 CA :: 54.110 CB :: 16.618 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.082 HA :: 3.768 HB1 :: 1.822 HB2 :: 1.822 HB3 :: 1.822 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.488 Ave N Shift Values>> N :: 123.23(3.7) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.43 A 0.05 R 0.03 HN Overlap>> 1.N24 1.N24 C Shift Assignments>> C :: 175.970 CA :: 56.620 CB :: 41.090 CG :: 26.200 CD1 :: 26.400 CD2 :: 21.850 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 :: 8.401 HA :: 4.048 HB2 :: 1.772 HB3 :: 2.582 HG :: 1.540 HD11 :: 1.197 HD12 :: 1.197 HD13 :: 1.197 HD21 :: 1.162 HD22 :: 1.162 HD23 :: 1.162 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 :: 120.863 Ave N Shift Values>> N :: 121.98(4.07) 1.A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.77 A 0.18 I 0.02 C 0.01 C Shift Assignments>> C :: 177.130 CA :: 54.120 CB :: 15.367 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.629 HA :: 3.632 HB1 :: 1.172 HB2 :: 1.172 HB3 :: 1.172 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.580 Ave N Shift Values>> N :: 123.23(3.7) 1.N110 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.29 E 0.22 Y 0.11 N 0.11 M 0.08 F 0.05 K 0.04 I 0.02 D 0.01 Q 0.01 C Shift Assignments>> C :: 175.760 CA :: 55.417 CB :: 36.610 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 :: 7.212 HA :: 3.765 HB2 :: 1.251(S) HB3 :: 1.377(S) HD21 :: 7.570 HD22 :: 6.900 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.235 ND2 :: 114.600 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.H111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 H 0.36 W 0.17 C Shift Assignments>> C :: 174.980 CA :: 59.150 CB :: 30.360 CD2 :: 117.300 CE1 :: 139.300 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 :: 8.327 HA :: 4.062 HB2 :: 3.012 HB3 :: 3.272 HD2 :: 6.280 HE1 :: 7.540 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 :: 124.375 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 A 0.27 L 0.19 R 0.02 C Shift Assignments>> C :: 176.940 CA :: 56.015 CB :: 40.980 CG :: 25.800 CD1 :: 26.400 CD2 :: 20.120 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 :: 8.278 HA :: 3.815 HB2 :: 1.110 HB3 :: 2.050 HG :: 1.952 HD11 :: 0.812 HD12 :: 0.812 HD13 :: 0.812 HD21 :: 0.739 HD22 :: 0.739 HD23 :: 0.739 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 :: 118.709 Ave N Shift Values>> N :: 121.98(4.07) 1.I113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 175.180 CA :: 64.720 CB :: 36.610 CG1 :: 29.200 CG2 :: 15.570 CD1 :: 12.100 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 :: 7.774 HA :: 3.289 HB :: 1.912 HG12 :: 0.731 HG13 :: 1.945 HG21 :: 0.872 HG22 :: 0.872 HG23 :: 0.872 HD11 :: 0.760 HD12 :: 0.760 HD13 :: 0.760 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.897 Ave N Shift Values>> N :: 121.6(4.72) 1.K114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.27 K 0.19 L 0.01 C Shift Assignments>> C :: 177.710 CA :: 59.100 CB :: 30.470 CG :: 23.500 CD :: 26.800 CE :: 41.200 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 :: 7.530 HA :: 3.790 HB2 :: 1.940 HB3 :: 1.980 HG2 :: 1.192 HG3 :: 1.450 HD2 :: 1.960 HD3 :: 1.999 HE2 :: 2.950 HE3 :: 2.950 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.815 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.18 C Shift Assignments>> C :: 177.120 CA :: 64.500 CB :: 30.351 CG1 :: 19.500 CG2 :: 20.100 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 :: 8.099 HA :: 3.720 HB :: 2.036 HG11 :: 0.683 HG12 :: 0.683 HG13 :: 0.683 HG21 :: 0.650 HG22 :: 0.650 HG23 :: 0.650 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 :: 118.639 Ave N Shift Values>> N :: 121.02(4.96) 1.K116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.29 K 0.18 L 0.04 A 0.01 C Shift Assignments>> C :: 180.450 CA :: 56.000 CB :: 30.340 CG :: 23.500 CD :: 26.600 CE :: 41.200 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 :: 7.847 HA :: 4.534 HB2 :: 1.740 HB3 :: 2.076 HG2 :: 1.281 HG3 :: 1.480 HD2 :: 1.710 HD3 :: 1.710 HE2 :: 2.960 HE3 :: 2.960 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 :: 122.696 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 L 0.3 A 0.13 C Shift Assignments>> C :: 178.300 CA :: 56.620 CB :: 40.361 CG :: 25.800 CD1 :: 25.000 CD2 :: 20.700 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 :: 8.955 HA :: 4.080 HB2 :: 1.432 HB3 :: 2.050 HG :: 1.531 HD11 :: 0.855 HD12 :: 0.855 HD13 :: 0.855 HD21 :: 0.920 HD22 :: 0.920 HD23 :: 0.920 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 :: 124.964 Ave N Shift Values>> N :: 121.98(4.07) 1.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.22 K 0.21 E 0.2 R 0.02 M 0.02 I 0.01 C Shift Assignments>> C :: 175.170 CA :: 55.380 CB :: 28.510 CG :: 35.000 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 :: 7.804 HA :: 4.156 HB2 :: 2.150 HB3 :: 2.200 HG2 :: 2.232 HG3 :: 2.524 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 :: 119.413 Ave N Shift Values>> N :: 120.68(3.68) 1.G119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.27 G 0.1 C 0.08 D 0.04 F 0.04 K 0.04 Y 0.02 C Shift Assignments>> C :: 173.210 CA :: 43.500 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.854 HA2 :: 3.608 HA3 :: 4.129 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.507 Ave N Shift Values>> N :: 109.91(4.29) 1.H120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.46 C 0.27 W 0.25 C Shift Assignments>> C :: 173.220 CA :: 53.500 CB :: 29.700 CD2 :: 119.300 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 :: 7.689 HA :: 4.605 HB2 :: 2.864 HB3 :: 3.051 HD2 :: 7.150 HE1 :: 8.750 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 121.641 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.26 K 0.22 E 0.13 M 0.06 R 0.02 C Shift Assignments>> C :: 175.360 CA :: 54.129 CB :: 29.120 CG :: 34.500 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 :: 8.491 HA :: 4.270 HB2 :: 1.846 HB3 :: 1.991 HG2 :: 2.261 HG3 :: 2.391 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 :: 121.447 Ave N Shift Values>> N :: 120.68(3.68) 1.L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 C 0.47 L 0.03 C Shift Assignments>> C :: 173.430 CA :: 50.977 CB :: 39.786 CG :: 29.800 CD1 :: 22.000 CD2 :: 25.200 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 :: 8.660 HA :: 4.413 HB2 :: 1.159 HB3 :: 1.668 HG :: 2.026 HD11 :: 0.789 HD12 :: 0.789 HD13 :: 0.789 HD21 :: 0.857 HD22 :: 0.857 HD23 :: 0.857 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 :: 124.924 Ave N Shift Values>> N :: 121.98(4.07) 1.P123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.84 G 0.11 P 0.03 C Shift Assignments>> C :: 173.830 CA :: 60.400 CB :: 30.390 CG :: 25.800 CD :: 47.800 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 :: 4.550 HB2 :: 2.264 HB3 :: 2.320 HG2 :: 1.820 HG3 :: 1.900 HD2 :: 3.332 HD3 :: 3.731 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) 1.A124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.29 C 0.01 HN Overlap>> 1.H138 1.H138 C Shift Assignments>> C :: 175.760 CA :: 52.860 CB :: 17.860 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.441 HA :: 4.060 HB1 :: 1.380 HB2 :: 1.380 HB3 :: 1.380 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.201 Ave N Shift Values>> N :: 123.23(3.7) 1.D125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.26 D 0.2 L 0.17 C 0.16 R 0.07 N 0.05 K 0.02 F 0.01 Y 0.01 HN Overlap>> 1.D94 1.D94 C Shift Assignments>> C :: 173.610 CA :: 50.340 CB :: 42.840 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 :: 7.464 HA :: 4.625 HB2 :: 2.320 HB3 :: 2.490 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 :: 114.966 Ave N Shift Values>> N :: 120.73(4.2) 1.L126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.3 A 0.03 C Shift Assignments>> C :: 173.220 CA :: 51.630 CB :: 41.032 CG :: 25.000 CD1 :: 24.100 CD2 :: 24.700 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 :: 8.865 HA :: 4.160 HB2 :: 1.547 HB3 :: 1.547 HG :: 1.714 HD11 :: 0.870 HD12 :: 0.870 HD13 :: 0.870 HD21 :: 0.962 HD22 :: 0.962 HD23 :: 0.962 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 :: 124.880 Ave N Shift Values>> N :: 121.98(4.07) 1.P127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.88 P 0.1 C Shift Assignments>> CA :: 59.800 CB :: 29.800 CG :: 25.850 CD :: 49.200 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 :: 4.852 HB2 :: 1.910 HB3 :: 2.478 HG2 :: 1.538 HG3 :: 2.116 HD2 :: 3.485 HD3 :: 4.085 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) 1.P128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.15 G 0.01 C Shift Assignments>> C :: 177.520 CA :: 64.740 CB :: 30.990 CG :: 25.800 CD :: 49.200 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 :: 4.201 HB2 :: 2.032 HB3 :: 2.424 HG2 :: 2.100 HG3 :: 2.200 HD2 :: 3.390 HD3 :: 3.878 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) 1.H129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.39 C 0.32 W 0.28 HN Overlap>> 1.Y58 1.Y58 C Shift Assignments>> C :: 174.600 CA :: 56.600 CB :: 27.900 CD2 :: 118.600 CE1 :: 139.300 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 :: 7.945 HA :: 4.628 HB2 :: 3.030 HB3 :: 3.413 HD2 :: 6.900 HE1 :: 7.780 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 112.388 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 A 0.32 C 0.23 G 0.03 C Shift Assignments>> C :: 175.700 CA :: 52.970 CB :: 42.210 CG :: 25.100 CD1 :: 23.500 CD2 :: 21.800 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 :: 7.700 HA :: 4.625 HB2 :: 1.450 HB3 :: 1.680 HG :: 0.953 HD11 :: 0.773 HD12 :: 0.773 HD13 :: 0.773 HD21 :: 0.594 HD22 :: 0.594 HD23 :: 0.594 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 :: 120.630 Ave N Shift Values>> N :: 121.98(4.07) 1.V131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.45 C Shift Assignments>> CA :: 60.150 CB :: 30.800 CG1 :: 19.500 CG2 :: 21.200 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 :: 7.200 HA :: 3.720 HB :: 1.964 HG11 :: 0.800 HG12 :: 0.800 HG13 :: 0.800 HG21 :: 0.976 HG22 :: 0.976 HG23 :: 0.976 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 :: 125.320 Ave N Shift Values>> N :: 121.02(4.96) 1.P132 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.89 P 0.09 C Shift Assignments>> CA :: 59.200 CB :: 30.400 CG :: 26.200 CD :: 49.500 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 :: 2.650(S) HB2 :: 1.390 HB3 :: 1.780 HG2 :: 1.740 HG3 :: 1.820 HD2 :: 3.230 HD3 :: 4.280 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) 1.P133 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> G 0.47 C 0.33 P 0.19 C Shift Assignments>> C :: 177.320 CA :: 64.760 CB :: 30.990 CG :: 25.850 CD :: 47.500 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.602 HB2 :: 1.853 HB3 :: 2.172 HG2 :: 1.542 HG3 :: 2.117 HD2 :: 1.980(S) HD3 :: 2.170(S) 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) SRO Rule Breaks>> (HD2 > HG3 : 0.9949) 1.S134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.200 CA :: 59.740 CB :: 61.000 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.150 HA :: 4.125 HB2 :: 3.860 HB3 :: 3.860 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 :: 114.572 Ave N Shift Values>> N :: 116.3(3.95) 1.K135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> C 0.57 K 0.17 R 0.14 A 0.08 L 0.01 M 0.01 C Shift Assignments>> C :: 174.790 CA :: 52.340 CB :: 30.980 CG :: 23.500 CD :: 26.700 CE :: 40.700 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 :: 7.847 HA :: 4.460 HB2 :: 1.500 HB3 :: 1.987 HG2 :: 1.094 HG3 :: 1.411 HD2 :: 1.480 HD3 :: 1.480 HE2 :: 2.971 HE3 :: 2.971 HZ1 :: 8.000(U) HZ2 :: 8.000(U) HZ3 :: 8.000(U) 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 :: 120.702 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.25 L 0.17 R 0.17 C Shift Assignments>> C :: 174.580 CA :: 55.360 CB :: 29.100 CG :: 25.500 CD :: 41.800 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 :: 7.066 HA :: 4.080 HB2 :: 1.600 HB3 :: 1.733 HG2 :: 1.441 HG3 :: 1.441 HD2 :: 2.960 HD3 :: 3.150 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 :: 121.523 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.28 R 0.2 L 0.1 HN Overlap>> 1.D41 1.D41 C Shift Assignments>> C :: 174.400 CA :: 54.100 CB :: 29.700 CG :: 25.500 CD :: 41.800 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 :: 8.221 HA :: 4.274 HB2 :: 1.686 HB3 :: 1.756 HG2 :: 1.495 HG3 :: 1.557 HD2 :: 2.960 HD3 :: 3.150 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 :: 122.696 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.H138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.43 W 0.29 C 0.26 HN Overlap>> 1.A124 1.A124 C Shift Assignments>> C :: 175.660 CA :: 54.110 CB :: 28.500 CD2 :: 120.000 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 :: 8.460 HA :: 4.662 HB2 :: 3.150 HB3 :: 3.150 HD2 :: 7.150 HE1 :: 8.550 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 :: 123.110 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.26 Q 0.17 K 0.16 M 0.08 I 0.02 C Shift Assignments>> C :: 179.670 CA :: 56.630 CB :: 29.712 CG :: 35.200 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 :: 8.173 HA :: 4.088 HB2 :: 1.863 HB3 :: 2.033 HG2 :: 2.147 HG3 :: 2.147 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 :: 129.137 Ave N Shift Values>> N :: 120.68(3.68) 2.CA1 Overall Status: Residue type CA not supported. ########################################################################### Overall Results: #Consistent: 129 #Clerical: 2 #Suspicious: 6 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 137 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 137 #Suspicious: 2 C Shift Results: #Consistent: 602 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 948 #Duplicate: 0 #Unknown: 6 #Suspicious: 11 #Anomalous: 2 N Shift Results: #Consistent: 131 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V46 HB = -1.219(A), Expected = 1.99, Std = 0.3300, ChiSquare = 2.3767e-22 1.V46 HG11 = -0.175(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.7042e-04 1.V46 HG12 = -0.175(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.7042e-04 1.V46 HG13 = -0.175(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.7042e-04 1.K50 HZ1 = 8.630(U) 1.K50 HZ2 = 8.630(U) 1.K50 HZ3 = 8.630(U) 1.F57 SRO Rule Break>> HA > HB2 : 0.995201919232307 1.F57 SRO Rule Break>> HA > HB3 : 0.99548625359048 1.K73 HE2 = 2.077(S), Expected = 2.93, Std = 0.2000, ChiSquare = 1.9990e-05 1.D94 HB2 = 1.200(A), Expected = 2.74, Std = 0.2900, ChiSquare = 1.0942e-07 1.D103 HA = 2.821(S), Expected = 4.61, Std = 0.3100, ChiSquare = 7.8818e-09 1.D103 HB2 = 1.693(S), Expected = 2.74, Std = 0.2900, ChiSquare = 3.0579e-04 1.N110 HB2 = 1.251(S), Expected = 2.80, Std = 0.3400, ChiSquare = 5.2166e-06 1.N110 HB3 = 1.377(S), Expected = 2.78, Std = 0.3400, ChiSquare = 3.6837e-05 1.P132 HA = 2.650(S), Expected = 4.41, Std = 0.3600, ChiSquare = 1.0141e-06 1.P133 HD2 = 1.980(S), Expected = 3.64, Std = 0.3600, ChiSquare = 4.0052e-06 1.P133 HD3 = 2.170(S), Expected = 3.63, Std = 0.4000, ChiSquare = 2.6224e-04 1.P133 SRO Rule Break>> HD2 > HG3 : 0.994893221912721 1.K135 HZ1 = 8.000(U) 1.K135 HZ2 = 8.000(U) 1.K135 HZ3 = 8.000(U)