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.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 M 0.41 A 0.1 HN Overlap>> 1.C11 1.C11 C Shift Assignments>> C :: 175.846 CA :: 55.860 CB :: 33.887 CG :: 31.580 CE :: 21.095 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 :: 8.302 HA :: 4.388 HB2 :: 1.796 HB3 :: 1.920 HG2 :: 2.333 HG3 :: 2.276 HE1 :: 1.364 HE2 :: 1.364 HE3 :: 1.364 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 :: 123.660 Ave N Shift Values>> N :: 120.1(3.88) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.33 R 0.28 G 0.01 M 0.01 C Shift Assignments>> C :: 175.500 CA :: 56.587 CB :: 33.978 CG :: 26.006 CD :: 29.206 CE :: 42.340 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 :: 8.545 HA :: 4.366 HB2 :: 1.528 HB3 :: 1.843 HG2 :: 1.474 HG3 :: 1.612 HD2 :: 1.606 HD3 :: 1.545 HE2 :: 2.982 HE3 :: 3.040 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 :: 125.400 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.19 M 0.01 C Shift Assignments>> C :: 176.385 CA :: 56.000 CB :: 33.960 CG :: 25.400 CD :: 28.988 CE :: 41.960 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.702 HA :: 5.080 HB2 :: 1.786 HG2 :: 1.326 HG3 :: 1.580 HD2 :: 1.546 HE2 :: 2.780 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 :: 123.868 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 172.999 CA :: 60.505 CB :: 34.595 CG1 :: 21.262 CG2 :: 21.262 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 :: 9.022 HA :: 4.946 HB :: 1.800 HG11 :: 0.088 HG12 :: 0.088 HG13 :: 0.088 HG21 :: 0.684 HG22 :: 0.684 HG23 :: 0.684 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 :: 126.850 Ave N Shift Values>> N :: 121.02(4.96) 1.M8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.3 C 0.21 C Shift Assignments>> C :: 174.153 CA :: 52.418 CB :: 34.999 CG :: 32.438 CE :: 17.564 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 :: 8.740 HA :: 4.945 HB2 :: 1.032 HB3 :: 1.665 HG2 :: 1.550 HE1 :: 0.562 HE2 :: 0.562 HE3 :: 0.562 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 126.608 Ave N Shift Values>> N :: 120.1(3.88) 1.F9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.38 Y 0.3 C 0.28 G 0.02 C Shift Assignments>> C :: 174.538 CA :: 56.832 CB :: 42.396 CD1 :: 131.600 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 :: 8.116 HA :: 5.120 HB2 :: 2.606 HB3 :: 2.533 HD1 :: 6.768 HE1 :: 6.929 HZ :: 6.840 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 125.250 Ave N Shift Values>> N :: 120.69(4.18) 1.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.44 C Shift Assignments>> C :: 174.980 CA :: 60.389 CB :: 35.534 CG1 :: 20.806 CG2 :: 20.606 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.772 HA :: 5.338 HB :: 1.674 HG11 :: 0.646 HG12 :: 0.646 HG13 :: 0.646 HG21 :: 0.278 HG22 :: 0.278 HG23 :: 0.278 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.000 Ave N Shift Values>> N :: 121.02(4.96) 1.C11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.2 C 0.15 W 0.14 V 0.12 P 0.07 E 0.07 R 0.06 H 0.04 K 0.03 Q 0.03 M 0.01 HN Overlap>> 1.M4 1.M4 C Shift Assignments>> CA :: 61.200 CB :: 30.032 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.288 HA :: 5.486 HB2 :: 3.706 HB3 :: 3.028 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 123.660 Ave N Shift Values>> N :: 119.95(4.79) 1.K12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.44 C 0.33 G 0.11 K 0.1 C Shift Assignments>> CA :: 54.830 CB :: 30.820 CG :: 27.834 CD :: 43.608 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 :: 8.141 HA :: 5.291 HB2 :: 1.926 HB3 :: 1.713 HG2 :: 1.476 HG3 :: 1.594 HD2 :: 3.222 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) 1.N14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> HD21 :: 8.085 HD22 :: 7.711 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 :: 111.100 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.21 P 0.2 T 0.19 I 0.15 S 0.14 C 0.02 F 0.02 Y 0.01 W 0.01 C Shift Assignments>> CB :: 62.910 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.740 HB2 :: 3.986 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) 1.C16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.598 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) 1.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.36 V 0.32 C 0.1 I 0.09 W 0.05 R 0.01 E 0.01 C Shift Assignments>> CA :: 62.760 CB :: 31.498 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 :: 7.959 HA :: 3.826 HB2 :: 1.491 HD2 :: 3.758 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) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.24 T 0.24 I 0.2 P 0.14 C 0.03 F 0.03 Y 0.02 W 0.02 S 0.01 C Shift Assignments>> CA :: 62.330 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.436 HA :: 3.825 HB2 :: 4.037 HB3 :: 3.040 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 :: 114.000 Ave N Shift Values>> N :: 116.3(3.95) 1.Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.22 L 0.15 C 0.13 Q 0.1 I 0.08 K 0.08 W 0.07 H 0.07 E 0.05 C Shift Assignments>> CA :: 57.740 CB :: 26.800 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 6.192 HA :: 4.046 HB2 :: 2.012 HB3 :: 1.626 HE21 :: 6.440 HE22 :: 6.322 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.105 NE2 :: 107.509 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.M20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 M 0.29 I 0.07 HN Overlap>> 1.N128 1.N128 C Shift Assignments>> C :: 176.924 CA :: 60.250 CB :: 33.748 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 :: 8.006 HA :: 3.858 HB2 :: 2.112 HB3 :: 2.342 HG2 :: 2.962 HE1 :: 0.775 HE2 :: 0.775 HE3 :: 0.775 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.650 Ave N Shift Values>> N :: 120.1(3.88) 1.A21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.73 A 0.14 I 0.09 C 0.02 C Shift Assignments>> C :: 177.539 CA :: 56.100 CB :: 16.815 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.735 HA :: 3.578 HB1 :: 0.422(S) HB2 :: 0.422(S) HB3 :: 0.422(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.648 Ave N Shift Values>> N :: 123.23(3.7) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.24 K 0.14 Q 0.13 I 0.1 M 0.02 R 0.01 C Shift Assignments>> C :: 177.539 CA :: 59.786 CB :: 29.283 CG :: 34.960 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 :: 7.845 HA :: 3.680 HB2 :: 1.930 HG2 :: 2.090 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.600 Ave N Shift Values>> N :: 120.68(3.68) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 C 0.25 P 0.24 A 0.09 N 0.03 D 0.01 L 0.01 C Shift Assignments>> C :: 176.154 CA :: 48.110 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.869 HA2 :: 3.750 HA3 :: 3.222 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.459 Ave N Shift Values>> N :: 109.91(4.29) 1.F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.48 F 0.29 C 0.21 C Shift Assignments>> C :: 177.809 CA :: 62.761 CB :: 39.415 CD1 :: 131.690 CE1 :: 132.300 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 :: 8.312 HA :: 4.388 HB2 :: 2.842 HB3 :: 3.040 HD1 :: 7.113 HE1 :: 7.410 HZ :: 7.387 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 :: 120.160 Ave N Shift Values>> N :: 120.69(4.18) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.24 C 0.07 V 0.05 L 0.04 I 0.02 T 0.02 C Shift Assignments>> C :: 179.464 CA :: 56.010 CB :: 19.831 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.248 HA :: 3.914 HB1 :: 1.679 HB2 :: 1.679 HB3 :: 1.679 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.160 Ave N Shift Values>> N :: 123.23(3.7) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.26 R 0.25 Q 0.04 M 0.01 P 0.01 V 0.01 C Shift Assignments>> C :: 177.732 CA :: 58.932 CB :: 32.012 CG :: 26.000 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 :: 8.788 HA :: 4.222 HB2 :: 1.868 HB3 :: 2.060 HG2 :: 1.488 HG3 :: 1.756 HE2 :: 2.942 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.590 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.430 CA :: 65.467 CB :: 69.580 CG2 :: 21.060 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 :: 7.208 HA :: 4.258 HB :: 4.249 HG21 :: 1.362 HG22 :: 1.362 HG23 :: 1.362 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 :: 114.650 Ave N Shift Values>> N :: 115.7(5.05) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.32 R 0.15 G 0.01 A 0.01 HN Overlap>> 1.E127 1.E127 C Shift Assignments>> C :: 178.502 CA :: 56.869 CB :: 42.228 CG :: 27.500 CD1 :: 25.520 CD2 :: 22.599 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 :: 8.766 HA :: 4.350 HB2 :: 1.619 HG :: 1.992 HD11 :: 0.928 HD12 :: 0.928 HD13 :: 0.928 HD21 :: 1.002 HD22 :: 1.002 HD23 :: 1.002 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.400 Ave N Shift Values>> N :: 121.98(4.07) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.1 C 0.08 R 0.05 C Shift Assignments>> C :: 173.460 CA :: 45.152 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.868 HA2 :: 3.666 HA3 :: 4.238 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.196 Ave N Shift Values>> N :: 109.91(4.29) 1.A30 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 :: 178.655 CA :: 54.289 CB :: 18.155 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.964 HA :: 4.310 HB1 :: 1.566 HB2 :: 1.566 HB3 :: 1.566 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.401 Ave N Shift Values>> N :: 123.23(3.7) 1.G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 173.961 CA :: 45.825 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.230 HA2 :: 3.780 HA3 :: 4.276 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.651 Ave N Shift Values>> N :: 109.91(4.29) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.32 R 0.24 M 0.01 G 0.01 C Shift Assignments>> C :: 175.808 CA :: 57.468 CB :: 35.314 CG :: 25.316 CD :: 29.380 CE :: 42.200 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 :: 8.421 HA :: 4.586 HB2 :: 1.752 HB3 :: 1.964 HG2 :: 1.432 HD2 :: 1.638 HD3 :: 1.731 HE2 :: 3.000 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 :: 118.968 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.35 G 0.06 A 0.02 C Shift Assignments>> C :: 173.499 CA :: 59.136 CB :: 42.531 CG1 :: 25.461 CG2 :: 19.149 CD1 :: 13.880 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 :: 7.659 HA :: 5.010 HB :: 1.786 HG12 :: 1.348 HG13 :: 1.106 HG21 :: 0.888 HG22 :: 0.888 HG23 :: 0.888 HD11 :: 0.788 HD12 :: 0.788 HD13 :: 0.788 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 :: 111.378 Ave N Shift Values>> N :: 121.6(4.72) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.11 C 0.05 L 0.04 C Shift Assignments>> C :: 177.116 CA :: 50.893 CB :: 20.858 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.846 HA :: 4.929 HB1 :: 1.392 HB2 :: 1.392 HB3 :: 1.392 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.474 Ave N Shift Values>> N :: 123.23(3.7) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 HN Overlap>> 1.E105 1.T36 1.L89 1.E105 1.T36 1.L89 C Shift Assignments>> C :: 174.538 CA :: 61.562 CB :: 34.979 CG1 :: 22.839 CG2 :: 22.300 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 :: 8.906 HA :: 5.200 HB :: 2.026 HG11 :: 1.156 HG12 :: 1.156 HG13 :: 1.156 HG21 :: 0.950 HG22 :: 0.950 HG23 :: 0.950 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 :: 123.574 Ave N Shift Values>> N :: 121.02(4.96) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.76 C 0.23 HN Overlap>> 1.V35 1.E105 1.V35 1.E105 1.L89 1.L89 C Shift Assignments>> C :: 171.305 CA :: 61.057 CB :: 72.038 CG2 :: 22.536 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 :: 8.866 HA :: 4.506 HB :: 3.862 HG21 :: 1.082 HG22 :: 1.082 HG23 :: 1.082 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 123.600 Ave N Shift Values>> N :: 115.7(5.05) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.74 T 0.25 C Shift Assignments>> C :: 172.883 CA :: 57.627 CB :: 66.709 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.280 HA :: 5.654 HB2 :: 3.611 HB3 :: 3.846 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 :: 117.560 Ave N Shift Values>> N :: 116.3(3.95) 1.C38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 C 0.13 M 0.13 H 0.12 W 0.12 E 0.11 K 0.1 Q 0.08 V 0.01 C Shift Assignments>> C :: 172.152 CA :: 56.543 CB :: 31.272 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.840 HA :: 5.122 HB2 :: 2.258 HB3 :: 2.388 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.398 Ave N Shift Values>> N :: 119.95(4.79) 1.G39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.35 L 0.27 G 0.12 C 0.08 D 0.04 F 0.03 K 0.03 Y 0.02 C Shift Assignments>> C :: 173.730 CA :: 43.634 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.600 HA2 :: 5.546(S) HA3 :: 3.354 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.668 Ave N Shift Values>> N :: 109.91(4.29) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 L 0.29 R 0.01 A 0.01 C Shift Assignments>> C :: 178.732 CA :: 58.056 CB :: 40.119 CG :: 27.200 CD1 :: 22.028 CD2 :: 25.778 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 :: 7.586 HA :: 4.044 HB2 :: 1.638 HB3 :: 2.050 HG :: 1.636 HD11 :: 0.762 HD12 :: 0.762 HD13 :: 0.762 HD21 :: 0.926 HD22 :: 0.926 HD23 :: 0.926 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.250 Ave N Shift Values>> N :: 121.98(4.07) 1.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 M 0.2 E 0.1 C Shift Assignments>> C :: 173.730 CA :: 54.428 CB :: 33.862 CG :: 36.409 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 :: 8.190 HA :: 4.468 HB2 :: 1.880 HB3 :: 2.134 HG2 :: 2.301 HG3 :: 2.126 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.000 Ave N Shift Values>> N :: 120.68(3.68) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 174.615 CA :: 57.280 CB :: 65.600 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.420 HA :: 4.262 HB2 :: 3.228 HB3 :: 3.730 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.820 Ave N Shift Values>> N :: 116.3(3.95) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.422 CA :: 57.494 CB :: 63.341 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.580 HA :: 4.406 HB2 :: 3.904 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.100 Ave N Shift Values>> N :: 116.3(3.95) 1.R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.29 K 0.18 G 0.12 C Shift Assignments>> C :: 174.923 CA :: 54.519 CB :: 32.431 CG :: 25.544 CD :: 43.562 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.052 HA :: 4.654 HB2 :: 1.768 HB3 :: 1.948 HG2 :: 1.368 HG3 :: 1.642 HD2 :: 3.136 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.991 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.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.09 C Shift Assignments>> C :: 175.307 CA :: 65.040 CB :: 31.104 CG2 :: 22.060 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 :: 8.950 HA :: 3.766 HB :: 1.906 HG21 :: 0.776 HG22 :: 0.776 HG23 :: 0.776 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.410 Ave N Shift Values>> N :: 121.02(4.96) 1.H46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 H 0.29 W 0.17 Y 0.02 C Shift Assignments>> C :: 175.731 CA :: 56.433 CB :: 32.940 CD2 :: 118.500 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 :: 8.641 HA :: 4.365 HB2 :: 3.028 HB3 :: 3.268 HD2 :: 7.185 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 132.883 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.P47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 180.195 CA :: 65.583 CB :: 32.163 CG :: 27.639 CD :: 51.060 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 :: 4.231 HB2 :: 2.016 HB3 :: 2.391 HG2 :: 1.990 HD2 :: 3.094 HD3 :: 3.780 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.T48 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 176.924 CA :: 65.767 CB :: 67.556 CG2 :: 22.595 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 :: 11.340(A) HA :: 3.992 HB :: 3.502 HG21 :: 0.199(S) HG22 :: 0.199(S) HG23 :: 0.199(S) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 121.671 Ave N Shift Values>> N :: 115.7(5.05) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.19 I 0.09 C 0.03 V 0.01 C Shift Assignments>> C :: 178.963 CA :: 56.211 CB :: 17.917 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.496 HA :: 3.914 HB1 :: 1.724 HB2 :: 1.724 HB3 :: 1.724 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.000 Ave N Shift Values>> N :: 123.23(3.7) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 HN Overlap>> 1.W93 1.W93 C Shift Assignments>> C :: 179.502 CA :: 65.679 CB :: 38.046 CG1 :: 29.820 CG2 :: 17.493 CD1 :: 13.486 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 :: 7.911 HA :: 3.394 HB :: 1.962 HG12 :: 0.502 HG13 :: 1.764 HG21 :: 0.897 HG22 :: 0.897 HG23 :: 0.897 HD11 :: 0.796 HD12 :: 0.796 HD13 :: 0.796 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 :: 118.018 Ave N Shift Values>> N :: 121.6(4.72) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.32 I 0.04 C 0.03 C Shift Assignments>> C :: 180.810 CA :: 55.403 CB :: 18.160 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.743 HA :: 4.262 HB1 :: 1.488 HB2 :: 1.488 HB3 :: 1.488 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.143 Ave N Shift Values>> N :: 123.23(3.7) 1.M52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 M 0.23 A 0.06 C Shift Assignments>> C :: 179.733 CA :: 56.463 CB :: 34.991 CG :: 34.142 CE :: 21.626 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 :: 8.656 HA :: 4.508 HB2 :: 1.673 HB3 :: 2.290 HG2 :: 2.453 HE1 :: 1.952 HE2 :: 1.952 HE3 :: 1.952 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 :: 117.047 Ave N Shift Values>> N :: 120.1(3.88) 1.M53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.26 A 0.22 I 0.01 HN Overlap>> 1.F71 1.F71 C Shift Assignments>> C :: 179.079 CA :: 55.286 CB :: 29.022 CG :: 33.223 CE :: 17.126 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 :: 8.000 HA :: 4.783 HB2 :: 1.892 HB3 :: 2.082 HG2 :: 2.226 HG3 :: 2.658 HE1 :: 2.074 HE2 :: 2.074 HE3 :: 2.074 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.586 Ave N Shift Values>> N :: 120.1(3.88) 1.E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.29 I 0.27 K 0.06 Q 0.01 M 0.01 C Shift Assignments>> C :: 180.657 CA :: 60.034 CB :: 29.164 CG :: 36.358 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 :: 8.241 HA :: 3.916 HB2 :: 2.362 HB3 :: 2.185 HG2 :: 2.224 HG3 :: 2.389 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.357 Ave N Shift Values>> N :: 120.68(3.68) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.33 I 0.23 M 0.03 K 0.02 C Shift Assignments>> C :: 178.117 CA :: 59.418 CB :: 30.321 CG :: 37.168 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 :: 7.528 HA :: 4.158 HB2 :: 2.246 HB3 :: 2.152 HG2 :: 2.356 HG3 :: 2.662 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 :: 117.770 Ave N Shift Values>> N :: 120.68(3.68) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.42 C Shift Assignments>> C :: 175.808 CA :: 59.708 CB :: 30.442 CG1 :: 19.812 CG2 :: 21.416 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 :: 7.222 HA :: 4.754 HB :: 2.779 HG11 :: 1.105 HG12 :: 1.105 HG13 :: 1.105 HG21 :: 1.000 HG22 :: 1.000 HG23 :: 1.000 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 :: 108.491 Ave N Shift Values>> N :: 121.02(4.96) 1.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 174.422 CA :: 46.389 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.840 HA2 :: 3.854 HA3 :: 4.096 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.252 Ave N Shift Values>> N :: 109.91(4.29) 1.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.31 C Shift Assignments>> C :: 173.537 CA :: 60.663 CB :: 41.067 CG1 :: 27.324 CG2 :: 16.854 CD1 :: 14.900 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 :: 7.900 HA :: 4.136 HB :: 1.122 HG12 :: 0.908 HG13 :: 1.442 HG21 :: 0.400 HG22 :: 0.400 HG23 :: 0.400 HD11 :: 0.582 HD12 :: 0.582 HD13 :: 0.582 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 :: 121.993 Ave N Shift Values>> N :: 121.6(4.72) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.21 L 0.15 C 0.11 K 0.06 F 0.05 Y 0.04 R 0.01 C Shift Assignments>> C :: 177.424 CA :: 52.376 CB :: 41.030 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 :: 8.766 HA :: 4.726 HB2 :: 2.619 HB3 :: 2.870 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 127.780 Ave N Shift Values>> N :: 120.73(4.2) 1.I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 176.847 CA :: 61.115 CB :: 38.335 CG1 :: 27.909 CG2 :: 18.400 CD1 :: 14.702 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 :: 8.684 HA :: 4.468 HB :: 2.225 HG12 :: 0.972 HG13 :: 1.090 HG21 :: 0.694 HG22 :: 0.694 HG23 :: 0.694 HD11 :: 0.490 HD12 :: 0.490 HD13 :: 0.490 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 :: 120.620 Ave N Shift Values>> N :: 121.6(4.72) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.038 CA :: 62.056 CB :: 63.065 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.740 HA :: 3.955 HB2 :: 3.250 HB3 :: 3.765 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.406 Ave N Shift Values>> N :: 116.3(3.95) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.18 R 0.13 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 175.115 CA :: 44.638 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.534 HA2 :: 3.545 HA3 :: 4.358 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.454 Ave N Shift Values>> N :: 109.91(4.29) 1.Q63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.34 I 0.1 K 0.08 Q 0.01 M 0.01 C Shift Assignments>> C :: 174.884 CA :: 56.280 CB :: 28.537 CG :: 36.998 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.312 HA :: 4.392 HB2 :: 2.084 HB3 :: 2.374 HG2 :: 2.222 HE21 :: 8.539 HE22 :: 6.412 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.700 NE2 :: 111.092 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 175.577 CA :: 60.338 CB :: 69.828 CG2 :: 21.956 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 :: 8.364 HA :: 4.408 HB :: 4.252 HG21 :: 1.182 HG22 :: 1.182 HG23 :: 1.182 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.901 Ave N Shift Values>> N :: 115.7(5.05) 1.S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.307 CA :: 55.500 CB :: 63.717 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.750 HA :: 5.042 HB2 :: 3.251 HB3 :: 3.686 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.550 Ave N Shift Values>> N :: 116.3(3.95) 1.D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.26 L 0.12 C 0.12 F 0.04 K 0.04 Y 0.03 R 0.01 HN Overlap>> 1.L82 1.L82 C Shift Assignments>> C :: 172.768 CA :: 51.968 CB :: 40.827 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 :: 9.756 HA :: 5.076 HB2 :: 2.572 HB3 :: 2.716 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 128.961 Ave N Shift Values>> N :: 120.73(4.2) 1.P67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.64 C 0.35 C Shift Assignments>> C :: 178.117 CA :: 61.710 CB :: 31.970 CD :: 50.520 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 :: 4.795 HB2 :: 2.073 HB3 :: 2.414 HG2 :: 2.851 HD2 :: 3.909 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.I68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> C :: 176.270 CA :: 64.909 CB :: 39.149 CG1 :: 29.480 CG2 :: 16.010 CD1 :: 12.888 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 :: 8.739 HA :: 4.118 HB :: 1.251 HG12 :: 0.976 HG13 :: 0.751 HG21 :: 0.942 HG22 :: 0.942 HG23 :: 0.942 HD11 :: -0.498(S) HD12 :: -0.498(S) HD13 :: -0.498(S) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.169 Ave N Shift Values>> N :: 121.6(4.72) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.3 I 0.2 K 0.09 Q 0.03 C Shift Assignments>> C :: 176.846 CA :: 58.833 CB :: 28.564 CG :: 36.290 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 :: 8.600 HA :: 4.392 HB2 :: 2.150 HG2 :: 2.348 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.089 Ave N Shift Values>> N :: 120.68(3.68) 1.N70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 C 0.25 Y 0.06 E 0.05 D 0.05 M 0.04 F 0.03 K 0.01 C Shift Assignments>> C :: 173.922 CA :: 52.898 CB :: 37.169 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 :: 7.768 HA :: 4.548 HB2 :: 2.406 HD21 :: 7.556 HD22 :: 6.876 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 :: 118.980 ND2 :: 110.180 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F71 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 G 0.16 Y 0.11 HN Overlap>> 1.M53 1.M53 C Shift Assignments>> C :: 173.076 CA :: 57.130 CB :: 42.967 CD1 :: 133.000 CE1 :: 124.100(S) 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 :: 8.026 HA :: 4.884 HB2 :: 3.030 HB3 :: 3.402 HD1 :: 7.346 HE1 :: 6.560 HZ :: 7.205 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.527 Ave N Shift Values>> N :: 120.69(4.18) 1.N72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.25 C 0.14 L 0.05 F 0.03 Y 0.03 C Shift Assignments>> C :: 174.961 CA :: 51.346 CB :: 39.676 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 :: 9.101 HA :: 5.010 HB2 :: 2.674 HB3 :: 2.891 HD21 :: 7.519 HD22 :: 6.959 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 :: 120.600 ND2 :: 114.400 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A73 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> M 0.5 A 0.42 C 0.02 I 0.02 C Shift Assignments>> C :: 177.309 CA :: 54.776 CB :: 18.152 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.293 HA :: 1.891(A) HB1 :: -0.274(S) HB2 :: -0.274(S) HB3 :: -0.274(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.736 Ave N Shift Values>> N :: 123.23(3.7) 1.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.15 C 0.13 F 0.13 Y 0.12 N 0.09 K 0.08 R 0.01 I 0.01 C Shift Assignments>> C :: 177.539 CA :: 55.225 CB :: 40.532 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 :: 7.382 HA :: 4.227 HB2 :: 2.359 HB3 :: 2.504 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 :: 109.720 Ave N Shift Values>> N :: 120.73(4.2) 1.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.15 F 0.14 C 0.13 Y 0.12 N 0.08 K 0.08 I 0.01 R 0.01 C Shift Assignments>> C :: 175.577 CA :: 55.378 CB :: 40.504 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 :: 7.689 HA :: 4.229 HB2 :: 2.196 HB3 :: 2.719 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.220 Ave N Shift Values>> N :: 120.73(4.2) 1.Y76 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.36 C Shift Assignments>> C :: 173.845 CA :: 59.476 CB :: 40.118 CE1 :: 130.260(S) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.644 HA :: 4.094 HB2 :: 2.669 HB3 :: 2.822 HD1 :: 7.004 HE1 :: 7.132 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.522 Ave N Shift Values>> N :: 120.79(4.69) 1.D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.21 C 0.15 R 0.14 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.307 CA :: 56.186 CB :: 44.888 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 :: 8.480 HA :: 4.946 HB2 :: 2.635 HB3 :: 2.946 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.210 Ave N Shift Values>> N :: 120.73(4.2) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.44 I 0.01 C Shift Assignments>> C :: 173.614 CA :: 60.273 CB :: 35.156 CG1 :: 20.188 CG2 :: 21.867 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 :: 7.915 HA :: 4.622 HB :: 1.958 HG11 :: 0.831 HG12 :: 0.831 HG13 :: 0.831 HG21 :: 0.696 HG22 :: 0.696 HG23 :: 0.696 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.760 Ave N Shift Values>> N :: 121.02(4.96) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.47 C Shift Assignments>> C :: 172.537 CA :: 60.957 CB :: 35.362 CG1 :: 20.480 CG2 :: 21.062 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 :: 8.389 HA :: 4.660 HB :: 2.322 HG11 :: 1.242 HG12 :: 1.242 HG13 :: 1.242 HG21 :: 1.066 HG22 :: 1.066 HG23 :: 1.066 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 :: 128.345 Ave N Shift Values>> N :: 121.02(4.96) 1.I80 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.95 I 0.03 A 0.01 C Shift Assignments>> C :: 176.231 CA :: 55.895 CB :: 37.647 CG1 :: 24.960 CG2 :: 13.900 CD1 :: 10.640 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 :: 8.474 HA :: 4.448 HB :: 1.436 HG12 :: 0.394 HG13 :: 0.635 HG21 :: -1.100(S) HG22 :: -1.100(S) HG23 :: -1.100(S) HD11 :: 0.242 HD12 :: 0.242 HD13 :: 0.242 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.888 Ave N Shift Values>> N :: 121.6(4.72) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.615 CA :: 56.063 CB :: 64.950 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.615 HA :: 5.023 HB2 :: 4.348 HB3 :: 3.788 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.000 Ave N Shift Values>> N :: 116.3(3.95) 1.L82 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.38 G 0.07 L 0.02 K 0.01 HN Overlap>> 1.D66 1.D66 C Shift Assignments>> C :: 176.539 CA :: 55.449 CB :: 43.134 CG :: 28.410 CD1 :: 27.920 CD2 :: 28.680(A) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.821 HA :: 5.072 HB2 :: 1.392 HB3 :: 2.206 HG :: 1.810 HD11 :: 0.820 HD12 :: 0.820 HD13 :: 0.820 HD21 :: 1.172 HD22 :: 1.172 HD23 :: 1.172 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 :: 129.000 Ave N Shift Values>> N :: 121.98(4.07) 1.C83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 P 0.17 C 0.12 V 0.09 W 0.07 E 0.02 R 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 175.615 CA :: 62.940 CB :: 29.005 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.180 HA :: 4.020 HB2 :: 2.928 HB3 :: 2.592 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.484 Ave N Shift Values>> N :: 119.95(4.79) 1.G84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.31 L 0.27 G 0.19 C 0.09 D 0.03 F 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 173.635 CA :: 43.867 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.400 HA2 :: 3.702 HA3 :: 4.548 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.560 Ave N Shift Values>> N :: 109.91(4.29) 1.C85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.3 C 0.14 R 0.12 W 0.09 K 0.06 P 0.06 Q 0.05 E 0.05 H 0.04 L 0.03 HN Overlap>> 1.E113 1.E113 C Shift Assignments>> C :: 176.462 CA :: 60.320 CB :: 27.480 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.382 HA :: 4.225 HB2 :: 2.845 HB3 :: 2.884 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.963 Ave N Shift Values>> N :: 119.95(4.79) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 173.576 CA :: 45.689 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.924 HA2 :: 3.770 HA3 :: 4.122 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.080 Ave N Shift Values>> N :: 109.91(4.29) 1.V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 174.153 CA :: 61.797 CB :: 33.266 CG1 :: 20.908 CG2 :: 21.963 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 :: 7.269 HA :: 4.149 HB :: 1.832 HG11 :: 0.770 HG12 :: 0.770 HG13 :: 0.770 HG21 :: 0.782 HG22 :: 0.782 HG23 :: 0.782 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 :: 120.210 Ave N Shift Values>> N :: 121.02(4.96) 1.N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.25 L 0.12 C 0.12 F 0.04 K 0.04 Y 0.04 C Shift Assignments>> C :: 174.422 CA :: 52.092 CB :: 40.790 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 :: 8.482 HA :: 5.080 HB2 :: 2.569 HB3 :: 2.718 HD21 :: 6.872 HD22 :: 7.496 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 :: 125.000 ND2 :: 114.200 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.39 A 0.01 R 0.01 HN Overlap>> 1.V35 1.E105 1.T36 1.V35 1.E105 1.T36 C Shift Assignments>> C :: 171.305 CA :: 53.210 CB :: 40.140 CG :: 27.790 CD1 :: 24.250 CD2 :: 26.160 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 :: 8.810 HA :: 4.374 HB2 :: 1.266 HB3 :: 1.415 HG :: 1.696 HD11 :: 0.642 HD12 :: 0.642 HD13 :: 0.642 HD21 :: 0.786 HD22 :: 0.786 HD23 :: 0.786 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 :: 123.590 Ave N Shift Values>> N :: 121.98(4.07) 1.P90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.34 C Shift Assignments>> CA :: 61.800 CB :: 31.290 CG :: 28.200 CD :: 50.290 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>> HB2 :: 2.056 HB3 :: 2.790 HG2 :: 2.204 HG3 :: 2.264 HD2 :: 3.294 HD3 :: 3.695 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.P91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 178.963 CA :: 65.169 CB :: 32.112 CG :: 27.675 CD :: 50.677 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.146 HB2 :: 1.932 HB3 :: 2.310 HG2 :: 2.049 HG3 :: 2.110 HD2 :: 3.815 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.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 I 0.25 E 0.24 K 0.08 Q 0.03 C Shift Assignments>> C :: 177.539 CA :: 59.151 CB :: 27.784 CG :: 36.262 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.798 HA :: 3.894 HB2 :: 1.640 HB3 :: 1.783 HG2 :: 2.118 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.340 Ave N Shift Values>> N :: 120.68(3.68) 1.W93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.44 H 0.01 HN Overlap>> 1.I50 1.I50 C Shift Assignments>> C :: 176.385 CA :: 59.724 CB :: 29.942 CD1 :: 125.800 CZ2 :: 115.560 CZ3 :: 119.910 CH2 :: 124.100 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 :: 7.910 HA :: 4.096 HB2 :: 3.049 HB3 :: 3.308 HD1 :: 6.996 HE1 :: 10.276 HE3 :: 7.558 HZ2 :: 7.340 HZ3 :: 6.280 HH2 :: 6.580 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 :: 118.000 NE1 :: 130.617 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V94 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>> C :: 177.000 CA :: 60.392 CB :: 30.880 CG1 :: 19.271 CG2 :: 21.118 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 :: 6.960 HA :: 4.196 HB :: 1.566 HG11 :: 0.694 HG12 :: 0.694 HG13 :: 0.694 HG21 :: 0.073 HG22 :: 0.073 HG23 :: 0.073 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 :: 109.241 Ave N Shift Values>> N :: 121.02(4.96) 1.T95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 175.577 CA :: 60.847 CB :: 68.642 CG2 :: 21.692 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 6.940 HA :: 4.508 HB :: 4.500 HG21 :: 1.124 HG22 :: 1.124 HG23 :: 1.124 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.376 Ave N Shift Values>> N :: 115.7(5.05) 1.Q96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.25 Q 0.18 R 0.14 M 0.02 E 0.01 C Shift Assignments>> C :: 175.192 CA :: 54.039 CB :: 26.294 CG :: 33.335 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.925 HA :: 4.406 HB2 :: 1.739 HB3 :: 2.608 HG2 :: 2.066 HG3 :: 2.512 HE21 :: 7.206 HE22 :: 6.796 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.640 NE2 :: 114.400 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 C 0.32 E 0.22 K 0.04 Q 0.01 C Shift Assignments>> C :: 177.501 CA :: 61.220 CB :: 29.311 CG :: 36.106 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 :: 8.292 HA :: 3.889 HB2 :: 2.232 HB3 :: 2.476 HG2 :: 2.222 HG3 :: 2.392 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 :: 122.271 Ave N Shift Values>> N :: 120.68(3.68) 1.I98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.36 C Shift Assignments>> C :: 175.346 CA :: 60.422 CB :: 41.602 CG1 :: 28.219 CG2 :: 17.780 CD1 :: 13.060 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 :: 7.841 HA :: 4.471 HB :: 1.766 HG12 :: 1.242 HG13 :: 1.552 HG21 :: 0.834 HG22 :: 0.834 HG23 :: 0.834 HD11 :: 0.856 HD12 :: 0.856 HD13 :: 0.856 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 114.600 Ave N Shift Values>> N :: 121.6(4.72) 1.F99 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 Y 0.4 G 0.05 F 0.02 C Shift Assignments>> C :: 175.384 CA :: 56.760 CB :: 42.500 CD1 :: 131.500 CE1 :: 134.535(A) 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 :: 8.332 HA :: 5.904 HB2 :: 2.692 HB3 :: 3.518 HD1 :: 7.168 HE1 :: 5.910 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 129.893 Ave N Shift Values>> N :: 120.69(4.18) 1.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 M 0.16 E 0.06 C Shift Assignments>> C :: 171.690 CA :: 54.948 CB :: 34.559 CG :: 35.980 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 :: 7.456 HA :: 4.201 HB2 :: 1.966 HB3 :: 1.682 HG2 :: 1.950 HG3 :: 2.260 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 :: 124.220 Ave N Shift Values>> N :: 120.68(3.68) 1.D101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.24 R 0.12 C 0.12 K 0.07 N 0.05 G 0.05 F 0.03 Y 0.02 C Shift Assignments>> C :: 175.500 CA :: 52.365 CB :: 42.683 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 :: 8.342 HA :: 4.879 HB2 :: 2.458 HB3 :: 2.917 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.870 Ave N Shift Values>> N :: 120.73(4.2) 1.W102 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 H 0.11 W 0.01 C Shift Assignments>> C :: 175.423 CA :: 53.923 CB :: 29.500 CD1 :: 124.420 CZ2 :: 115.560 CZ3 :: 127.940(S) CH2 :: 123.310 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 :: 9.240 HA :: 5.049 HB2 :: 3.478 HB3 :: 2.680 HD1 :: 6.840 HE1 :: 11.666 HE3 :: 7.265 HZ2 :: 7.330 HZ3 :: 6.798 HH2 :: 6.910 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 :: 127.298 NE1 :: 133.500 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.24 K 0.22 R 0.17 E 0.03 M 0.02 C Shift Assignments>> C :: 173.730 CA :: 56.322 CB :: 27.155 CG :: 33.222 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 :: 8.802 HA :: 4.260 HB2 :: 1.966 HB3 :: 2.062 HG2 :: 2.189 HG3 :: 2.332 HE21 :: 7.705 HE22 :: 6.756 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 127.280 NE2 :: 112.869 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.17 C 0.15 A 0.03 C Shift Assignments>> C :: 176.539 CA :: 52.816 CB :: 45.310 CG :: 27.517 CD1 :: 23.351 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 :: 8.228 HA :: 4.668 HB2 :: 1.650 HB3 :: 1.582 HG :: 0.898 HD11 :: 0.816 HD12 :: 0.816 HD13 :: 0.816 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.474 Ave N Shift Values>> N :: 121.98(4.07) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 K 0.08 M 0.08 I 0.06 Q 0.04 HN Overlap>> 1.V35 1.V35 1.T36 1.L89 1.T36 1.L89 C Shift Assignments>> C :: 174.422 CA :: 56.854 CB :: 30.033 CG :: 36.320 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 :: 8.860 HA :: 3.940 HB2 :: 1.635 HB3 :: 1.735 HG2 :: 2.098 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 :: 123.553 Ave N Shift Values>> N :: 120.68(3.68) 1.D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.22 C 0.17 L 0.13 K 0.03 F 0.03 Y 0.02 R 0.02 G 0.01 C Shift Assignments>> C :: 176.270 CA :: 50.261 CB :: 41.454 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 :: 8.360 HA :: 4.499 HB2 :: 2.611 HB3 :: 3.008 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 :: 120.994 Ave N Shift Values>> N :: 120.73(4.2) 1.P107 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.74 C 0.24 C Shift Assignments>> C :: 173.961 CA :: 62.710 CB :: 30.849 CG :: 27.021 CD :: 49.201 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 :: 3.829 HB2 :: 0.192(S) HB3 :: 0.986 HG2 :: 1.116 HG3 :: 1.216 HD2 :: 3.916 HD3 :: 4.108 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.D108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.17 F 0.14 C 0.12 D 0.11 Y 0.11 R 0.07 I 0.01 N 0.01 C Shift Assignments>> C :: 177.924 CA :: 56.696 CB :: 41.505 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 :: 7.541 HA :: 4.232 HB2 :: 2.693 HB3 :: 2.774 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.820 Ave N Shift Values>> N :: 120.73(4.2) 1.G109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 174.884 CA :: 45.804 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.050 HA2 :: 3.860 HA3 :: 4.250 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.045 Ave N Shift Values>> N :: 109.91(4.29) 1.Q110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.25 K 0.19 E 0.14 M 0.11 R 0.02 C Shift Assignments>> C :: 174.884 CA :: 54.448 CB :: 29.720 CG :: 34.336 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 :: 8.424 HA :: 4.728 HB2 :: 2.044 HB3 :: 2.362 HG2 :: 2.050 HG3 :: 2.284 HE21 :: 7.472 HE22 :: 7.140 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.390 NE2 :: 115.305 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S111 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 :: 175.346 CA :: 57.810 CB :: 65.155 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.253 HA :: 4.512 HB2 :: 4.122 HB3 :: 4.461 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 :: 114.803 Ave N Shift Values>> N :: 116.3(3.95) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.41 R 0.04 HN Overlap>> 1.V122 1.V122 C Shift Assignments>> C :: 179.040 CA :: 58.348 CB :: 41.211 CG :: 26.800 CD1 :: 25.609 CD2 :: 22.620 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.778 HA :: 4.225 HB2 :: 1.462 HB3 :: 1.844 HG :: 1.845 HD11 :: 0.928 HD12 :: 0.928 HD13 :: 0.928 HD21 :: 0.772 HD22 :: 0.772 HD23 :: 0.772 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 :: 120.928 Ave N Shift Values>> N :: 121.98(4.07) 1.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.34 C 0.32 E 0.26 K 0.03 HN Overlap>> 1.C85 1.C85 C Shift Assignments>> C :: 179.656 CA :: 60.228 CB :: 29.194 CG :: 36.775 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 :: 8.358 HA :: 4.104 HB2 :: 2.072 HB3 :: 2.016 HG2 :: 2.368 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 :: 117.939 Ave N Shift Values>> N :: 120.68(3.68) 1.V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.04 C Shift Assignments>> C :: 178.732 CA :: 66.498 CB :: 31.003 CG1 :: 20.637 CG2 :: 22.719 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 :: 7.690 HA :: 3.722 HB :: 2.228 HG11 :: 0.675 HG12 :: 0.675 HG13 :: 0.675 HG21 :: 1.058 HG22 :: 1.058 HG23 :: 1.058 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.843 Ave N Shift Values>> N :: 121.02(4.96) 1.F115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.47 Y 0.3 C 0.22 C Shift Assignments>> C :: 179.079 CA :: 63.670 CB :: 40.093 CD1 :: 131.221 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 :: 8.048 HA :: 3.661 HB2 :: 2.863 HB3 :: 3.403 HD1 :: 6.992 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 :: 120.282 Ave N Shift Values>> N :: 120.69(4.18) 1.R116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 C 0.15 W 0.14 V 0.1 E 0.07 P 0.06 R 0.06 H 0.04 K 0.04 Q 0.03 M 0.01 C Shift Assignments>> C :: 179.579 CA :: 61.212 CB :: 29.800 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 :: 8.680 HA :: 3.804 HB2 :: 1.834 HB3 :: 1.916 HG2 :: 1.011 HG3 :: 1.475 HD2 :: 3.118 HD3 :: 3.161 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 :: 118.239 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.T117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 177.386 CA :: 67.036 CB :: 68.550 CG2 :: 21.425 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.381 HA :: 3.944 HB :: 4.385 HG21 :: 1.192 HG22 :: 1.192 HG23 :: 1.192 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 121.660 Ave N Shift Values>> N :: 115.7(5.05) 1.V118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 177.501 CA :: 66.585 CB :: 31.778 CG1 :: 21.200 CG2 :: 23.644 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 :: 8.566 HA :: 3.876 HB :: 1.905 HG11 :: 0.910 HG12 :: 0.910 HG13 :: 0.910 HG21 :: 0.945 HG22 :: 0.945 HG23 :: 0.945 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.407 Ave N Shift Values>> N :: 121.02(4.96) 1.R119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 G 0.33 R 0.27 C Shift Assignments>> C :: 177.847 CA :: 60.654 CB :: 31.131 CG :: 26.800 CD :: 44.400 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 :: 8.718 HA :: 4.052 HB2 :: 1.852 HB3 :: 2.494 HG2 :: 1.885 HG3 :: 2.161 HD2 :: 2.764 HD3 :: 3.494 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 :: 121.605 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.G120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 C 0.23 L 0.03 P 0.02 A 0.02 C Shift Assignments>> C :: 176.847 CA :: 47.399 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.932 HA2 :: 3.845 HA3 :: 4.010 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.940 Ave N Shift Values>> N :: 109.91(4.29) 1.Q121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.23 K 0.22 E 0.14 R 0.04 I 0.03 M 0.02 C Shift Assignments>> C :: 179.579 CA :: 58.760 CB :: 28.856 CG :: 34.103 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.906 HA :: 4.092 HB2 :: 1.900 HB3 :: 2.478 HG2 :: 2.355 HG3 :: 2.562 HE21 :: 7.220 HE22 :: 6.432 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 :: 123.527 NE2 :: 108.990 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 HN Overlap>> 1.L112 1.L112 C Shift Assignments>> C :: 176.808 CA :: 67.315 CB :: 31.293 CG1 :: 22.763 CG2 :: 24.351 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 :: 8.836 HA :: 3.341 HB :: 2.435 HG11 :: 1.020 HG12 :: 1.020 HG13 :: 1.020 HG21 :: 1.108 HG22 :: 1.108 HG23 :: 1.108 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 :: 120.932 Ave N Shift Values>> N :: 121.02(4.96) 1.K123 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.41 K 0.36 R 0.18 G 0.02 M 0.01 C Shift Assignments>> C :: 177.386 CA :: 61.228 CB :: 31.741 CG :: 25.178 CD :: 29.711 CE :: 42.211 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 :: 8.072 HA :: 2.596(S) HB2 :: 0.656(S) HB3 :: 1.456 HG2 :: 0.308(S) HG3 :: 0.852 HD2 :: 1.394 HD3 :: 1.436 HE2 :: 2.789 HE3 :: 2.900 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 :: 121.030 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.E124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.15 K 0.08 Q 0.03 M 0.03 C Shift Assignments>> C :: 178.963 CA :: 59.100 CB :: 29.728 CG :: 36.149 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 :: 7.453 HA :: 3.980 HB2 :: 1.898 HB3 :: 1.970 HG2 :: 2.268 HG3 :: 2.111 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.988 Ave N Shift Values>> N :: 120.68(3.68) 1.R125 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.35 K 0.26 L 0.23 R 0.11 G 0.03 C Shift Assignments>> C :: 179.387 CA :: 58.990 CB :: 26.620 CG :: 27.786 CD :: 42.561 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 :: 7.380 HA :: 3.548 HB2 :: -0.600(A) HB3 :: 0.710(S) HG2 :: 1.024 HG3 :: 1.212 HD2 :: 2.230(S) HD3 :: 2.038(S) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.880 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.V126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 177.386 CA :: 67.850 CB :: 31.050 CG1 :: 22.264 CG2 :: 24.886 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 :: 8.687 HA :: 3.824 HB :: 2.231 HG11 :: 0.952 HG12 :: 0.952 HG13 :: 0.952 HG21 :: 1.356 HG22 :: 1.356 HG23 :: 1.356 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.660 Ave N Shift Values>> N :: 121.02(4.96) 1.E127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 C 0.32 E 0.17 HN Overlap>> 1.L28 1.L28 C Shift Assignments>> C :: 179.925 CA :: 60.658 CB :: 29.579 CG :: 37.858 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 :: 8.696 HA :: 3.780 HB2 :: 1.912 HB3 :: 2.186 HG2 :: 2.135 HG3 :: 2.343 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 :: 121.363 Ave N Shift Values>> N :: 120.68(3.68) 1.N128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 Y 0.22 F 0.17 N 0.11 D 0.09 E 0.06 I 0.04 L 0.03 M 0.01 HN Overlap>> 1.M20 1.M20 C Shift Assignments>> C :: 177.155 CA :: 56.084 CB :: 38.479 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 :: 7.932 HA :: 4.411 HB2 :: 2.722 HB3 :: 2.800 HD21 :: 7.631 HD22 :: 6.999 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 :: 118.720 ND2 :: 113.274 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.37 K 0.15 G 0.03 C Shift Assignments>> C :: 178.502 CA :: 58.295 CB :: 42.481 CG :: 26.694 CD1 :: 22.781 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 :: 8.220 HA :: 4.295 HB2 :: 2.056 HB3 :: 2.459 HG :: 1.028 HD11 :: 1.016 HD12 :: 1.016 HD13 :: 1.016 HD21 :: 1.586 HD22 :: 1.586 HD23 :: 1.586 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 :: 123.119 Ave N Shift Values>> N :: 121.98(4.07) 1.I130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> C :: 178.386 CA :: 65.556 CB :: 37.547 CG1 :: 30.626 CG2 :: 17.647 CD1 :: 14.490 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 :: 8.589 HA :: 3.462 HB :: 1.912 HG12 :: 1.061 HG13 :: 1.865 HG21 :: 0.888 HG22 :: 0.888 HG23 :: 0.888 HD11 :: 0.776 HD12 :: 0.776 HD13 :: 0.776 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 :: 118.388 Ave N Shift Values>> N :: 121.6(4.72) 1.A131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.43 C 0.02 I 0.02 C Shift Assignments>> C :: 179.271 CA :: 54.776 CB :: 18.262 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.596 HA :: 4.192 HB1 :: 1.534 HB2 :: 1.534 HB3 :: 1.534 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.498 Ave N Shift Values>> N :: 123.23(3.7) 1.K132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.35 R 0.22 M 0.02 G 0.01 C Shift Assignments>> C :: 178.502 CA :: 58.285 CB :: 33.311 CG :: 25.058 CD :: 29.837 CE :: 42.369 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 :: 7.708 HA :: 4.348 HB2 :: 2.052 HG2 :: 1.596 HD2 :: 1.738 HE2 :: 2.909 HE3 :: 2.988 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.255 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 175.000 CA :: 61.391 CB :: 38.781 CG1 :: 25.230 CG2 :: 17.480 CD1 :: 14.847 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 :: 7.606 HA :: 4.558 HB :: 2.106 HG12 :: 1.542 HG13 :: 1.346 HG21 :: 0.878 HG22 :: 0.878 HG23 :: 0.878 HD11 :: 0.699 HD12 :: 0.699 HD13 :: 0.699 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 112.632 Ave N Shift Values>> N :: 121.6(4.72) 1.S134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.85 T 0.14 C Shift Assignments>> C :: 178.271 CA :: 60.808 CB :: 65.574 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.552 HA :: 4.363 HB2 :: 3.816 HB3 :: 3.944 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 124.380 Ave N Shift Values>> N :: 116.3(3.95) ########################################################################### Overall Results: #Consistent: 120 #Clerical: 0 #Suspicious: 9 #Anomalous: 5 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 126 #Suspicious: 2 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 133 #Suspicious: 1 C Shift Results: #Consistent: 514 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 2 H Shift Results: #Consistent: 813 #Duplicate: 0 #Unknown: 0 #Suspicious: 23 #Anomalous: 3 N Shift Results: #Consistent: 133 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A21 HB1 = 0.422(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.2711e-04 1.A21 HB2 = 0.422(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.2711e-04 1.A21 HB3 = 0.422(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.2711e-04 1.G39 HA2 = 5.546(S), Expected = 3.95, Std = 0.4000, ChiSquare = 6.6073e-05 1.T48 H = 11.340(A), Expected = 8.27, Std = 0.6200, ChiSquare = 7.3601e-07 1.T48 HG21 = 0.199(S), Expected = 1.16, Std = 0.2800, ChiSquare = 5.9883e-04 1.T48 HG22 = 0.199(S), Expected = 1.16, Std = 0.2800, ChiSquare = 5.9883e-04 1.T48 HG23 = 0.199(S), Expected = 1.16, Std = 0.2800, ChiSquare = 5.9883e-04 1.I68 HD11 = -0.498(S), Expected = 0.70, Std = 0.3000, ChiSquare = 6.5151e-05 1.I68 HD12 = -0.498(S), Expected = 0.70, Std = 0.3000, ChiSquare = 6.5151e-05 1.I68 HD13 = -0.498(S), Expected = 0.70, Std = 0.3000, ChiSquare = 6.5151e-05 1.F71 Typing: Suspicious 1.F71 CE1 = 124.100(S), Expected = 130.48, Std = 1.2900, ChiSquare = 7.5857e-07 1.A73 HA = 1.891(A), Expected = 4.26, Std = 0.4200, ChiSquare = 1.6958e-08 1.A73 HB1 = -0.274(S), Expected = 1.38, Std = 0.2500, ChiSquare = 3.6905e-11 1.A73 HB2 = -0.274(S), Expected = 1.38, Std = 0.2500, ChiSquare = 3.6905e-11 1.A73 HB3 = -0.274(S), Expected = 1.38, Std = 0.2500, ChiSquare = 3.6905e-11 1.Y76 Typing: Suspicious 1.Y76 CE1 = 130.260(S), Expected = 117.81, Std = 2.0900, ChiSquare = 2.5701e-09 1.I80 HG21 = -1.100(S), Expected = 0.80, Std = 0.2900, ChiSquare = 5.6877e-11 1.I80 HG22 = -1.100(S), Expected = 0.80, Std = 0.2900, ChiSquare = 5.6877e-11 1.I80 HG23 = -1.100(S), Expected = 0.80, Std = 0.2900, ChiSquare = 5.6877e-11 1.L82 CD2 = 28.680(A), Expected = 24.10, Std = 1.7800, ChiSquare = 1.0081e-02 1.F99 CE1 = 134.535(A), Expected = 130.48, Std = 1.2900, ChiSquare = 1.6699e-03 1.W102 CZ3 = 127.940(S), Expected = 121.57, Std = 1.7600, ChiSquare = 2.9538e-04 1.P107 HB2 = 0.192(S), Expected = 2.05, Std = 0.3900, ChiSquare = 1.8970e-06 1.K123 HA = 2.596(S), Expected = 4.28, Std = 0.4500, ChiSquare = 1.8240e-04 1.K123 HB2 = 0.656(S), Expected = 1.79, Std = 0.2500, ChiSquare = 5.7331e-06 1.K123 HG2 = 0.308(S), Expected = 1.38, Std = 0.2700, ChiSquare = 7.1761e-05 1.K123 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K123 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.R125 HB2 = -0.600(A), Expected = 1.79, Std = 0.2800, ChiSquare = 1.3929e-17 1.R125 HB3 = 0.710(S), Expected = 1.78, Std = 0.2800, ChiSquare = 1.3268e-04 1.R125 HD2 = 2.230(S), Expected = 3.13, Std = 0.2300, ChiSquare = 9.1140e-05 1.R125 HD3 = 2.038(S), Expected = 3.13, Std = 0.2200, ChiSquare = 6.9185e-07