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.H2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.2 R 0.15 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.660 CA :: 44.630 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.458 HA2 :: 4.123 HA3 :: 4.056 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.130 Ave N Shift Values>> N :: 109.91(4.29) 1.P5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.45 P 0.44 I 0.05 R 0.01 C Shift Assignments>> C :: 177.110 CA :: 63.070 CB :: 32.280 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 :: 4.426 HD2 :: 3.619 HD3 :: 3.602 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.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.19 H 0.18 R 0.18 Q 0.17 K 0.13 M 0.07 I 0.03 V 0.01 HN Overlap>> 1.L93 1.L93 C Shift Assignments>> C :: 175.440 CA :: 57.080 CB :: 30.010 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 :: 8.779 HA :: 4.170 HB2 :: 1.959 HB3 :: 1.943 HG2 :: 2.321 HG3 :: 2.180 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.510 Ave N Shift Values>> N :: 120.68(3.68) 1.Q7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.22 M 0.19 R 0.19 Q 0.13 E 0.12 K 0.11 C Shift Assignments>> C :: 175.490 CA :: 54.450 CB :: 30.980 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 :: 8.286 HA :: 4.808 HB2 :: 1.853 HB3 :: 1.813 HG2 :: 2.338 HG3 :: 2.020 HE21 :: 7.533 HE22 :: 6.822 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 :: 120.890 NE2 :: 111.610 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.31 Q 0.19 K 0.16 E 0.12 N 0.08 H 0.03 Y 0.03 R 0.02 C Shift Assignments>> C :: 174.850 CA :: 53.550 CB :: 34.800 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 :: 8.522 HA :: 4.712 HB2 :: 1.880 HB3 :: 1.830 HG2 :: 1.420 HG3 :: 1.337 HD2 :: 3.345 HD3 :: 3.081 HE :: 7.253 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.630 NE :: 84.830 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.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 R 0.19 E 0.17 Q 0.17 K 0.12 M 0.09 I 0.01 V 0.01 C Shift Assignments>> C :: 176.540 CA :: 56.290 CB :: 30.170 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.728 HA :: 4.405 HB2 :: 1.905 HB3 :: 1.808 HG2 :: 2.123 HG3 :: 2.123 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 :: 121.770 Ave N Shift Values>> N :: 120.68(3.68) 1.I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.33 F 0.24 I 0.19 E 0.15 M 0.01 D 0.01 N 0.01 L 0.01 C Shift Assignments>> C :: 174.770 CA :: 58.440 CB :: 37.970 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 :: 8.506 HA :: 4.031 HB :: 1.880 HG12 :: 1.380 HG13 :: 1.359 HG21 :: 0.741 HG22 :: 0.741 HG23 :: 0.741 HD11 :: 0.581 HD12 :: 0.581 HD13 :: 0.581 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.930 Ave N Shift Values>> N :: 121.6(4.72) 1.P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.45 P 0.3 I 0.06 R 0.04 K 0.03 E 0.03 M 0.02 H 0.02 Q 0.01 C Shift Assignments>> C :: 175.660 CA :: 61.830 CB :: 32.280 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 :: 4.636 HB2 :: 2.304 HB3 :: 1.632 HG2 :: 1.909 HG3 :: 1.762 HD2 :: 3.623 HD3 :: 3.607 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.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.19 K 0.12 N 0.11 F 0.11 Y 0.1 R 0.02 HN Overlap>> 1.S105 1.S105 C Shift Assignments>> C :: 176.990 CA :: 54.680 CB :: 40.820 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.767 HA :: 4.424 HB2 :: 2.856 HB3 :: 2.527 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 :: 118.770 Ave N Shift Values>> N :: 120.73(4.2) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.17 R 0.16 E 0.16 H 0.1 I 0.1 K 0.09 M 0.08 Q 0.07 P 0.03 C Shift Assignments>> C :: 174.090 CA :: 59.870 CB :: 31.060 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 :: 7.773 HA :: 4.432 HB :: 2.500 HG11 :: 0.733 HG12 :: 0.733 HG13 :: 0.733 HG21 :: 0.717 HG22 :: 0.717 HG23 :: 0.717 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.820 Ave N Shift Values>> N :: 121.02(4.96) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.350 CA :: 59.680 CB :: 63.830 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.202 HA :: 3.854 HB2 :: 3.693 HB3 :: 3.622 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.700 Ave N Shift Values>> N :: 116.3(3.95) 1.T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.330 CA :: 66.530 CB :: 69.520 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.922 HA :: 3.680 HB :: 4.277 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 :: 115.070 Ave N Shift Values>> N :: 115.7(5.05) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.19 D 0.18 K 0.14 F 0.06 Y 0.04 N 0.02 G 0.02 C Shift Assignments>> C :: 177.330 CA :: 54.490 CB :: 42.610 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 :: 7.161 HA :: 4.566 HB2 :: 1.818 HB3 :: 1.765 HG :: 1.430 HD11 :: 0.754 HD12 :: 0.754 HD13 :: 0.754 HD21 :: 0.712 HD22 :: 0.712 HD23 :: 0.712 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.100 Ave N Shift Values>> N :: 121.98(4.07) 1.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.440 CA :: 61.940 CB :: 70.980 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.162 HA :: 4.602 HB :: 4.080 HG21 :: 1.377 HG22 :: 1.377 HG23 :: 1.377 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 108.210 Ave N Shift Values>> N :: 115.7(5.05) 1.Y18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 F 0.11 Y 0.09 C Shift Assignments>> C :: 176.590 CA :: 63.710 CB :: 38.710 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.305 HA :: 3.604 HB2 :: 2.920 HB3 :: 2.861 HD1 :: 6.733 HD2 :: 6.733 HE1 :: 6.544 HE2 :: 6.544 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 :: 122.100 Ave N Shift Values>> N :: 120.79(4.69) 1.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.4 I 0.03 V 0.01 C Shift Assignments>> C :: 181.700 CA :: 55.170 CB :: 18.710 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.739 HA :: 3.858 HB1 :: 1.419 HB2 :: 1.419 HB3 :: 1.419 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.770 Ave N Shift Values>> N :: 123.23(3.7) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.2 R 0.19 H 0.15 Q 0.12 K 0.09 M 0.09 V 0.06 I 0.06 C Shift Assignments>> C :: 179.250 CA :: 58.630 CB :: 30.660 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 :: 7.603 HA :: 3.911 HB2 :: 2.016 HB3 :: 1.901 HG2 :: 2.398 HG3 :: 2.244 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 :: 118.040 Ave N Shift Values>> N :: 120.68(3.68) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.34 I 0.04 V 0.01 HN Overlap>> 1.Q35 1.Q35 C Shift Assignments>> C :: 179.030 CA :: 55.540 CB :: 18.710 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.845 HA :: 3.823 HB1 :: 1.305 HB2 :: 1.305 HB3 :: 1.305 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.330 Ave N Shift Values>> N :: 123.23(3.7) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 P 0.2 I 0.08 C Shift Assignments>> C :: 179.650 CA :: 66.950 CB :: 31.710 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 :: 8.286 HA :: 2.486 HB :: 1.633 HG11 :: 0.462 HG12 :: 0.462 HG13 :: 0.462 HG21 :: -0.030 HG22 :: -0.030 HG23 :: -0.030 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 :: 118.600 Ave N Shift Values>> N :: 121.02(4.96) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.37 K 0.11 P 0.1 R 0.09 M 0.07 E 0.07 H 0.05 I 0.05 Q 0.04 C Shift Assignments>> C :: 179.220 CA :: 60.550 CB :: 32.440 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 :: 7.486 HA :: 3.901 HB2 :: 1.884 HB3 :: 1.839 HG2 :: 1.525 HG3 :: 1.355 HD2 :: 1.633 HE2 :: 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 :: 122.100 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.23 K 0.19 M 0.14 Q 0.11 R 0.1 E 0.08 H 0.07 I 0.02 P 0.02 C Shift Assignments>> C :: 179.960 CA :: 59.490 CB :: 32.770 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 :: 7.781 HA :: 4.102 HB2 :: 1.830 HB3 :: 1.673 HG2 :: 1.440 HG3 :: 1.260 HD2 :: 1.548 HE2 :: 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 :: 120.920 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 K 0.16 F 0.15 L 0.15 Y 0.1 G 0.03 I 0.03 D 0.02 C Shift Assignments>> C :: 179.250 CA :: 58.780 CB :: 42.850 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 :: 8.793 HA :: 4.004 HB2 :: 1.743 HB3 :: 1.603 HG :: 1.396 HD11 :: 0.745 HD12 :: 0.745 HD13 :: 0.745 HD21 :: 0.553 HD22 :: 0.553 HD23 :: 0.553 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 :: 120.580 Ave N Shift Values>> N :: 121.98(4.07) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 179.180 CA :: 65.890 CB :: 69.110 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 :: 8.644 HA :: 5.016 HB :: 4.328 HG21 :: 1.360 HG22 :: 1.360 HG23 :: 1.360 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.130 Ave N Shift Values>> N :: 115.7(5.05) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.38 I 0.03 C Shift Assignments>> C :: 178.870 CA :: 54.980 CB :: 17.890 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.933 HA :: 4.191 HB1 :: 1.531 HB2 :: 1.531 HB3 :: 1.531 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.270 Ave N Shift Values>> N :: 123.23(3.7) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.21 C Shift Assignments>> C :: 176.710 CA :: 52.610 CB :: 19.190 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.379 HA :: 4.445 HB1 :: 1.805 HB2 :: 1.805 HB3 :: 1.805 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.170 Ave N Shift Values>> N :: 123.23(3.7) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.22 R 0.18 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.820 CA :: 44.510 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.710 HA2 :: 4.168 HA3 :: 3.536 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.720 Ave N Shift Values>> N :: 109.91(4.29) 1.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.33 Y 0.31 I 0.27 L 0.02 K 0.01 D 0.01 E 0.01 HN Overlap>> 1.E114 1.E114 C Shift Assignments>> C :: 174.770 CA :: 59.680 CB :: 39.680 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.909 HA :: 4.365 HB2 :: 2.779 HB3 :: 2.751 HD1 :: 7.434 HD2 :: 7.434 HE1 :: 7.023 HE2 :: 7.023 HZ :: 7.173 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 :: 119.740 Ave N Shift Values>> N :: 120.69(4.18) 1.G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 R 0.01 HN Overlap>> 1.G97 1.G97 C Shift Assignments>> C :: 172.640 CA :: 45.940 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.836 HA2 :: 4.470 HA3 :: 3.610 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.430 Ave N Shift Values>> N :: 109.91(4.29) 1.R32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.28 K 0.23 Q 0.17 H 0.11 R 0.11 E 0.06 V 0.01 C Shift Assignments>> C :: 173.210 CA :: 55.130 CB :: 32.770 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 :: 7.731 HA :: 4.351 HB2 :: 1.396 HB3 :: 0.836(S) HG2 :: 1.574 HG3 :: 1.532 HD2 :: 3.096 HD3 :: 2.967 HE :: 7.061 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 :: 123.020 NE :: 84.790 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.F33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.32 G 0.11 D 0.07 K 0.05 F 0.05 Y 0.03 HN Overlap>> 1.V64 1.V64 C Shift Assignments>> C :: 175.720 CA :: 55.690 CB :: 43.750 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 :: 8.295 HA :: 5.892 HB2 :: 3.180 HB3 :: 2.676 HD1 :: 7.178 HD2 :: 7.178 HE1 :: 7.010 HE2 :: 7.010 HZ :: 6.893 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.590 Ave N Shift Values>> N :: 120.69(4.18) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 Y 0.2 N 0.18 F 0.1 M 0.09 D 0.03 K 0.03 I 0.03 HN Overlap>> 1.F101 1.F101 C Shift Assignments>> C :: 173.500 CA :: 55.540 CB :: 37.000 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 :: 8.237 HA :: 4.590 HB2 :: 1.735 HB3 :: 1.640 HG2 :: 1.357 HG3 :: 1.316 HD2 :: 1.538 HE2 :: 2.980 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.090 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.21 Q 0.18 R 0.18 E 0.16 K 0.13 M 0.09 I 0.01 HN Overlap>> 1.A21 1.A21 C Shift Assignments>> C :: 175.320 CA :: 55.770 CB :: 30.010 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 :: 8.828 HA :: 5.139 HB2 :: 1.755 HB3 :: 1.671 HG2 :: 2.070 HG3 :: 1.977 HE21 :: 6.841 HE22 :: 6.428 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 125.310 NE2 :: 109.940 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 A 0.32 M 0.11 K 0.05 P 0.01 C Shift Assignments>> C :: 174.960 CA :: 50.720 CB :: 22.930 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.982 HA :: 4.667 HB1 :: 1.265 HB2 :: 1.265 HB3 :: 1.265 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.430 Ave N Shift Values>> N :: 123.23(3.7) 1.N37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.31 L 0.28 R 0.1 K 0.1 N 0.08 F 0.04 Y 0.03 G 0.02 HN Overlap>> 1.S102 1.D80 1.S102 1.D80 C Shift Assignments>> C :: 175.210 CA :: 52.490 CB :: 42.280 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 :: 8.701 HA :: 5.991(S) HB2 :: 2.551 HB3 :: 2.539 HD21 :: 7.389 HD22 :: 7.001 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 :: 118.330 ND2 :: 113.360 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.7 T 0.29 C Shift Assignments>> C :: 171.390 CA :: 55.690 CB :: 67.080 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.281 HA :: 4.966 HB2 :: 3.488 HB3 :: 3.474 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.810 Ave N Shift Values>> N :: 116.3(3.95) 1.P39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.46 P 0.46 I 0.04 C Shift Assignments>> C :: 175.700 CA :: 63.780 CB :: 32.360 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 :: 4.757 HB2 :: 2.337 HB3 :: 1.825 HG2 :: 2.057 HG3 :: 2.043 HD2 :: 3.880 HD3 :: 3.832 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.S40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.140 CA :: 57.420 CB :: 69.920(S) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.185 HA :: 3.382 HB2 :: 3.880 HB3 :: 3.780 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 :: 115.920 Ave N Shift Values>> N :: 116.3(3.95) 1.T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 S 0.04 C Shift Assignments>> C :: 176.270 CA :: 60.850 CB :: 67.730 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 :: 8.082 HA :: 4.607 HB :: 4.080 HG21 :: 1.357 HG22 :: 1.357 HG23 :: 1.357 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 :: 110.330 Ave N Shift Values>> N :: 115.7(5.05) 1.P42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.6 P 0.33 I 0.05 C Shift Assignments>> C :: 179.140 CA :: 65.890 CB :: 32.120 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 :: 3.920 HB2 :: 2.380 HB3 :: 1.880 HG2 :: 2.280 HG3 :: 2.180 HD2 :: 3.690 HD3 :: 3.671 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.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.2 K 0.16 R 0.15 E 0.14 Q 0.13 H 0.11 L 0.03 M 0.01 V 0.01 C Shift Assignments>> C :: 177.430 CA :: 59.310 CB :: 28.460 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.026 HA :: 4.107 HB2 :: 2.016 HB3 :: 1.937 HG2 :: 2.397 HG3 :: 2.293 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.730 Ave N Shift Values>> N :: 120.68(3.68) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.21 R 0.18 K 0.13 F 0.05 Y 0.03 N 0.03 G 0.02 C Shift Assignments>> C :: 175.800 CA :: 53.960 CB :: 42.610 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 :: 7.221 HA :: 4.289 HB2 :: 1.833 HB3 :: 1.461 HG :: 1.387 HD11 :: 0.946 HD12 :: 0.946 HD13 :: 0.946 HD21 :: 0.757 HD22 :: 0.757 HD23 :: 0.757 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 :: 119.840 Ave N Shift Values>> N :: 121.98(4.07) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.46 P 0.43 I 0.09 C Shift Assignments>> C :: 178.490 CA :: 65.140 CB :: 31.470 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 :: 7.020 HA :: 3.251 HB :: 1.867 HG11 :: 0.906 HG12 :: 0.906 HG13 :: 0.906 HG21 :: 0.830 HG22 :: 0.830 HG23 :: 0.830 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 :: 120.730 Ave N Shift Values>> N :: 121.02(4.96) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 R 0.01 C Shift Assignments>> C :: 173.500 CA :: 46.020 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.990 HA2 :: 4.148 HA3 :: 3.579 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.310 Ave N Shift Values>> N :: 109.91(4.29) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 M 0.24 E 0.14 K 0.09 Q 0.06 Y 0.05 F 0.02 H 0.01 D 0.01 HN Overlap>> 1.R110 1.R110 C Shift Assignments>> C :: 175.070 CA :: 52.720 CB :: 35.620 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 :: 8.303 HA :: 4.856 HB2 :: 1.680 HB3 :: 1.649 HG2 :: 1.356 HG3 :: 1.321 HD2 :: 1.506 HE2 :: 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 :: 120.270 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.48 V 0.42 I 0.06 C Shift Assignments>> C :: 177.510 CA :: 63.860 CB :: 31.880 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 :: 9.236 HA :: 4.286 HB :: 2.215 HG11 :: 0.754 HG12 :: 0.754 HG13 :: 0.754 HG21 :: 0.710 HG22 :: 0.710 HG23 :: 0.710 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 :: 120.450 Ave N Shift Values>> N :: 121.02(4.96) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 F 0.25 Y 0.22 C Shift Assignments>> C :: 176.560 CA :: 61.530 CB :: 39.360 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 :: 9.584 HA :: 4.332 HB :: 1.832 HG12 :: 1.580 HG13 :: 1.358 HG21 :: 0.993 HG22 :: 0.993 HG23 :: 0.993 HD11 :: 0.767 HD12 :: 0.767 HD13 :: 0.767 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 :: 125.930 Ave N Shift Values>> N :: 121.6(4.72) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.21 R 0.16 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 170.150 CA :: 44.590 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.590 HA2 :: 4.300 HA3 :: 4.181 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.940 Ave N Shift Values>> N :: 109.91(4.29) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.T118 1.T118 C Shift Assignments>> C :: 174.920 CA :: 59.340 CB :: 73.420 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 :: 8.275 HA :: 5.338 HB :: 4.080 HG1 :: 6.185 HG21 :: 0.903 HG22 :: 0.903 HG23 :: 0.903 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 :: 107.550 Ave N Shift Values>> N :: 115.7(5.05) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.4 N 0.22 L 0.18 K 0.05 F 0.03 R 0.03 Y 0.02 G 0.02 C Shift Assignments>> C :: 173.590 CA :: 50.690 CB :: 41.630 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 :: 8.969 HA :: 4.550 HB2 :: 2.864 HB3 :: 2.514 HD21 :: 7.475 HD22 :: 6.973 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.550 ND2 :: 110.530 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P53 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HD2 :: 4.093 HD3 :: 4.058 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.P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.57 P 0.27 I 0.04 K 0.02 Q 0.01 M 0.01 E 0.01 R 0.01 C Shift Assignments>> C :: 174.090 CA :: 62.470 CB :: 33.750 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 :: 4.603 HB2 :: 2.287 HB3 :: 2.022 HG2 :: 1.885 HG3 :: 1.860 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.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.29 C Shift Assignments>> C :: 178.740 CA :: 53.280 CB :: 18.710 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.979 HA :: 3.601 HB1 :: 1.295 HB2 :: 1.295 HB3 :: 1.295 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.660 Ave N Shift Values>> N :: 123.23(3.7) 1.N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 N 0.2 E 0.19 F 0.15 D 0.07 M 0.05 I 0.04 K 0.01 L 0.01 C Shift Assignments>> C :: 174.680 CA :: 55.650 CB :: 37.570 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 :: 9.376 HA :: 4.206 HB2 :: 3.207 HB3 :: 2.964 HD21 :: 7.580 HD22 :: 7.032 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.360 ND2 :: 113.060 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.21 Q 0.18 R 0.17 E 0.15 K 0.13 M 0.09 I 0.01 C Shift Assignments>> C :: 175.450 CA :: 55.500 CB :: 29.920 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 :: 7.849 HA :: 4.467 HB2 :: 2.155 HB3 :: 2.015 HG2 :: 2.414 HG3 :: 2.387 HE21 :: 7.783 HE22 :: 7.059 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 :: 119.530 NE2 :: 113.750 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.600 CA :: 62.390 CB :: 70.170 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 :: 8.613 HA :: 4.741 HB :: 3.916 HG21 :: 1.044 HG22 :: 1.044 HG23 :: 1.044 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.140 Ave N Shift Values>> N :: 115.7(5.05) 1.S59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.82 T 0.17 C Shift Assignments>> C :: 173.550 CA :: 56.900 CB :: 66.590 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.925 HA :: 4.732 HB2 :: 3.623 HB3 :: 3.585 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.170 Ave N Shift Values>> N :: 116.3(3.95) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.23 C Shift Assignments>> C :: 181.480 CA :: 52.790 CB :: 19.030 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.571 HA :: 4.789 HB1 :: 1.397 HB2 :: 1.397 HB3 :: 1.397 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.400 Ave N Shift Values>> N :: 123.23(3.7) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 Y 0.07 V 0.06 F 0.06 E 0.01 C Shift Assignments>> C :: 177.090 CA :: 63.970 CB :: 37.240 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 :: 8.496 HA :: 4.148 HB :: 1.401 HG12 :: 1.224 HG13 :: 1.187 HG21 :: 0.707 HG22 :: 0.707 HG23 :: 0.707 HD11 :: 0.248 HD12 :: 0.248 HD13 :: 0.248 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 :: 117.000 Ave N Shift Values>> N :: 121.6(4.72) 1.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.840 CA :: 61.410 CB :: 69.110 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 :: 7.229 HA :: 4.154 HB :: 4.438 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 :: 108.400 Ave N Shift Values>> N :: 115.7(5.05) 1.N63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.26 Y 0.06 F 0.06 L 0.05 C Shift Assignments>> C :: 174.520 CA :: 52.340 CB :: 39.270 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 :: 7.419 HA :: 4.751 HB2 :: 2.878 HB3 :: 2.843 HD21 :: 7.647 HD22 :: 7.127 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.150 ND2 :: 112.750 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.46 P 0.39 I 0.05 R 0.02 K 0.01 E 0.01 M 0.01 HN Overlap>> 1.F33 1.F33 C Shift Assignments>> C :: 175.630 CA :: 62.500 CB :: 32.360 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 :: 8.316 HA :: 3.797 HB :: 1.817 HG11 :: 0.833 HG12 :: 0.833 HG13 :: 0.833 HG21 :: 0.664 HG22 :: 0.664 HG23 :: 0.664 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.590 Ave N Shift Values>> N :: 121.02(4.96) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 P 0.29 I 0.03 K 0.02 Q 0.01 M 0.01 R 0.01 E 0.01 C Shift Assignments>> C :: 175.280 CA :: 62.390 CB :: 33.500 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 :: 8.607 HA :: 4.254 HB :: 2.157 HG11 :: 0.685 HG12 :: 0.685 HG13 :: 0.685 HG21 :: 0.632 HG22 :: 0.632 HG23 :: 0.632 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 :: 129.410 Ave N Shift Values>> N :: 121.02(4.96) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 Y 0.27 F 0.25 E 0.03 C Shift Assignments>> C :: 175.590 CA :: 60.510 CB :: 38.620 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 :: 8.661 HA :: 4.571 HB :: 1.974 HG12 :: 1.696 HG13 :: 1.333 HG21 :: 1.031 HG22 :: 1.031 HG23 :: 1.031 HD11 :: 0.730 HD12 :: 0.730 HD13 :: 0.730 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.780 Ave N Shift Values>> N :: 121.6(4.72) 1.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 F 0.21 Y 0.2 E 0.01 HN Overlap>> 1.V69 1.V69 C Shift Assignments>> C :: 174.010 CA :: 61.860 CB :: 38.950 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 :: 9.204 HA :: 4.078 HB :: 1.986 HG12 :: 1.749 HG13 :: 1.276 HG21 :: 0.309 HG22 :: 0.309 HG23 :: 0.309 HD11 :: 0.758 HD12 :: 0.758 HD13 :: 0.758 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 :: 129.560 Ave N Shift Values>> N :: 121.6(4.72) 1.I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 Y 0.2 F 0.18 E 0.02 C Shift Assignments>> C :: 175.150 CA :: 61.750 CB :: 38.380 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 :: 8.581 HA :: 4.329 HB :: 1.578 HG12 :: 1.370 HG13 :: 1.276 HG21 :: 0.901 HG22 :: 0.901 HG23 :: 0.901 HD11 :: 0.571 HD12 :: 0.571 HD13 :: 0.571 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 :: 128.640 Ave N Shift Values>> N :: 121.6(4.72) 1.V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.39 K 0.1 E 0.1 Q 0.09 M 0.07 I 0.07 P 0.05 Y 0.03 R 0.02 H 0.01 HN Overlap>> 1.I67 1.I67 C Shift Assignments>> C :: 176.750 CA :: 60.770 CB :: 34.230 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 :: 9.286 HA :: 4.696 HB :: 1.994 HG11 :: 0.991 HG12 :: 0.991 HG13 :: 0.991 HG21 :: 0.881 HG22 :: 0.881 HG23 :: 0.881 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 :: 129.550 Ave N Shift Values>> N :: 121.02(4.96) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 176.860 CA :: 46.770 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.437 HA2 :: 4.604 HA3 :: 3.882 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.940 Ave N Shift Values>> N :: 109.91(4.29) 1.S71 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 :: 175.230 CA :: 57.080 CB :: 65.450 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.284 HA :: 4.750 HB2 :: 3.857 HB3 :: 3.678 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 :: 119.440 Ave N Shift Values>> N :: 116.3(3.95) 1.G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 172.260 CA :: 45.420 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.267 HA2 :: 4.133 HA3 :: 3.382 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.470 Ave N Shift Values>> N :: 109.91(4.29) 1.P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.46 P 0.46 I 0.04 C Shift Assignments>> C :: 176.840 CA :: 63.630 CB :: 32.360 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 :: 4.375 HB2 :: 2.337 HB3 :: 1.912 HG2 :: 2.030 HG3 :: 2.030 HD2 :: 3.681 HD3 :: 3.681 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.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.22 C Shift Assignments>> C :: 177.450 CA :: 52.760 CB :: 19.270 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.797 HA :: 4.353 HB1 :: 1.370 HB2 :: 1.370 HB3 :: 1.370 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.920 Ave N Shift Values>> N :: 123.23(3.7) 1.T75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.800 CA :: 59.220 CB :: 72.200 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 :: 8.096 HA :: 5.021 HB :: 3.813 HG21 :: 0.963 HG22 :: 0.963 HG23 :: 0.963 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 :: 111.800 Ave N Shift Values>> N :: 115.7(5.05) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 Y 0.17 F 0.11 E 0.11 D 0.1 M 0.03 L 0.02 I 0.01 K 0.01 C Shift Assignments>> C :: 174.070 CA :: 54.450 CB :: 37.730 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 :: 8.892 HA :: 4.626 HB2 :: 1.825 HB3 :: 1.586 HG2 :: 1.371 HG3 :: 1.040 HD2 :: 1.550 HE2 :: 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 :: 120.430 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.32 L 0.08 Y 0.06 F 0.06 K 0.01 C Shift Assignments>> C :: 176.250 CA :: 52.640 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 :: 8.564 HA :: 5.033 HB2 :: 2.434 HB3 :: 2.400 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 :: 121.390 Ave N Shift Values>> N :: 120.73(4.2) 1.I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.33 I 0.31 Y 0.28 K 0.03 L 0.02 C Shift Assignments>> C :: 175.380 CA :: 60.320 CB :: 40.090 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 :: 8.174 HA :: 4.148 HB :: 1.931 HG12 :: 1.561 HG13 :: 0.873 HG21 :: 0.288 HG22 :: 0.288 HG23 :: 0.288 HD11 :: 0.538 HD12 :: 0.538 HD13 :: 0.538 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.950 Ave N Shift Values>> N :: 121.6(4.72) 1.P79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.44 P 0.36 I 0.07 R 0.03 K 0.02 E 0.02 M 0.01 H 0.01 C Shift Assignments>> C :: 174.880 CA :: 62.170 CB :: 32.120 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 :: 4.397 HB2 :: 1.600 HB3 :: 1.330 HG2 :: 1.600 HG3 :: 1.600 HD2 :: 3.670 HD3 :: 3.412 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.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.18 N 0.15 F 0.11 Y 0.1 K 0.09 R 0.01 HN Overlap>> 1.N37 1.N37 C Shift Assignments>> C :: 176.950 CA :: 54.450 CB :: 40.660 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 :: 8.648 HA :: 4.417 HB2 :: 2.818 HB3 :: 2.439 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 :: 118.330 Ave N Shift Values>> N :: 120.73(4.2) 1.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.2 R 0.15 E 0.15 I 0.1 H 0.09 K 0.08 M 0.07 Q 0.06 P 0.05 C Shift Assignments>> C :: 174.120 CA :: 60.100 CB :: 31.140 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 :: 7.489 HA :: 4.496 HB :: 2.436 HG11 :: 0.748 HG12 :: 0.748 HG13 :: 0.748 HG21 :: 0.575 HG22 :: 0.575 HG23 :: 0.575 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.920 Ave N Shift Values>> N :: 121.02(4.96) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.35 C Shift Assignments>> C :: 179.770 CA :: 53.620 CB :: 18.380 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.694 HA :: 3.778 HB1 :: 1.289 HB2 :: 1.289 HB3 :: 1.289 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.910 Ave N Shift Values>> N :: 123.23(3.7) 1.G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.16 R 0.1 F 0.01 D 0.01 C Shift Assignments>> C :: 173.710 CA :: 44.850 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.511 HA2 :: 4.269 HA3 :: 3.623 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.620 Ave N Shift Values>> N :: 109.91(4.29) 1.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.23 Q 0.18 R 0.18 E 0.13 K 0.12 M 0.1 C Shift Assignments>> C :: 176.180 CA :: 54.710 CB :: 30.010 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 :: 7.365 HA :: 4.502 HB2 :: 2.080 HB3 :: 2.019 HG2 :: 2.273 HG3 :: 2.237 HE21 :: 6.986 HE22 :: 6.426 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 :: 120.230 NE2 :: 106.260 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.440 CA :: 61.750 CB :: 70.410 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 :: 7.973 HA :: 4.638 HB :: 4.080 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) N Shift Assignments>> N :: 110.090 Ave N Shift Values>> N :: 115.7(5.05) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 P 0.07 I 0.07 C Shift Assignments>> C :: 177.130 CA :: 68.040 CB :: 31.710 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 :: 8.544 HA :: 3.233 HB :: 1.927 HG11 :: 0.916 HG12 :: 0.916 HG13 :: 0.916 HG21 :: 0.738 HG22 :: 0.738 HG23 :: 0.738 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 :: 120.080 Ave N Shift Values>> N :: 121.02(4.96) 1.D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 L 0.14 K 0.13 D 0.12 I 0.05 N 0.02 R 0.02 C Shift Assignments>> C :: 178.760 CA :: 57.270 CB :: 40.570 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 :: 8.596 HA :: 4.185 HB2 :: 2.583 HB3 :: 2.542 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.370 Ave N Shift Values>> N :: 120.73(4.2) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 P 0.21 I 0.03 C Shift Assignments>> C :: 177.430 CA :: 66.530 CB :: 32.770 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.086 HA :: 3.484 HB :: 2.035 HG11 :: 0.955 HG12 :: 0.955 HG13 :: 0.955 HG21 :: 0.910 HG22 :: 0.910 HG23 :: 0.910 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 :: 122.250 Ave N Shift Values>> N :: 121.02(4.96) 1.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.4 I 0.02 V 0.01 L 0.01 C Shift Assignments>> C :: 180.660 CA :: 55.200 CB :: 19.270 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.985 HA :: 4.518 HB1 :: 1.278 HB2 :: 1.278 HB3 :: 1.278 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.730 Ave N Shift Values>> N :: 123.23(3.7) 1.Q90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.32 R 0.15 K 0.12 E 0.1 Q 0.1 H 0.08 P 0.03 L 0.03 V 0.01 C Shift Assignments>> C :: 178.000 CA :: 59.980 CB :: 28.050 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 :: 8.383 HA :: 3.171 HB2 :: 1.925 HB3 :: 1.710 HG2 :: 2.342 HG3 :: 2.305 HE21 :: 6.877 HE22 :: 6.340 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 :: 114.790 NE2 :: 108.970 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.25 R 0.14 K 0.13 E 0.12 M 0.1 H 0.08 I 0.06 P 0.04 Q 0.04 C Shift Assignments>> C :: 179.750 CA :: 59.950 CB :: 31.880 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 :: 7.480 HA :: 4.083 HB2 :: 1.980 HB3 :: 1.939 HG2 :: 1.632 HG3 :: 1.442 HD2 :: 1.688 HE2 :: 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 :: 119.600 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.23 N 0.11 D 0.1 E 0.09 I 0.06 L 0.04 M 0.01 C Shift Assignments>> C :: 179.080 CA :: 56.410 CB :: 38.460 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 :: 8.526 HA :: 4.668 HB2 :: 2.939 HB3 :: 2.635 HD21 :: 8.071 HD22 :: 7.123 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 :: 118.870 ND2 :: 116.360 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 K 0.22 Y 0.18 R 0.11 L 0.1 I 0.08 D 0.02 HN Overlap>> 1.E6 1.E6 C Shift Assignments>> C :: 179.790 CA :: 59.190 CB :: 41.710 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 :: 8.868 HA :: 4.296 HB2 :: 2.223 HB3 :: 1.816 HG :: 1.625 HD11 :: 0.753 HD12 :: 0.753 HD13 :: 0.753 HD21 :: 0.630 HD22 :: 0.630 HD23 :: 0.630 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 :: 121.570 Ave N Shift Values>> N :: 121.98(4.07) 1.N94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.24 D 0.19 L 0.13 N 0.07 K 0.05 I 0.04 C Shift Assignments>> C :: 179.610 CA :: 56.410 CB :: 40.010 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 :: 9.012 HA :: 5.208 HB2 :: 3.315 HB3 :: 2.889 HD21 :: 8.333 HD22 :: 7.609 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 :: 120.300 ND2 :: 110.430 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 P 0.25 I 0.06 C Shift Assignments>> C :: 177.700 CA :: 66.530 CB :: 31.880 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 :: 7.893 HA :: 3.680 HB :: 2.349 HG11 :: 1.189 HG12 :: 1.189 HG13 :: 1.189 HG21 :: 0.753 HG22 :: 0.753 HG23 :: 0.753 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 :: 122.100 Ave N Shift Values>> N :: 121.02(4.96) 1.Y96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.34 Y 0.29 I 0.23 K 0.05 L 0.03 D 0.01 C Shift Assignments>> C :: 174.730 CA :: 59.760 CB :: 40.250 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 :: 7.434 HA :: 4.242 HB2 :: 3.266 HB3 :: 3.220 HD1 :: 7.438 HD2 :: 7.438 HE1 :: 6.943 HE2 :: 6.943 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.750 Ave N Shift Values>> N :: 120.79(4.69) 1.G97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 L 0.26 R 0.25 F 0.03 D 0.02 Y 0.01 K 0.01 HN Overlap>> 1.G31 1.G31 C Shift Assignments>> C :: 173.540 CA :: 44.250 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.782 HA2 :: 4.133 HA3 :: 3.481 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.500 Ave N Shift Values>> N :: 109.91(4.29) 1.F98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.34 Y 0.33 I 0.18 L 0.04 D 0.03 K 0.02 E 0.01 C Shift Assignments>> C :: 175.990 CA :: 58.740 CB :: 39.600 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 :: 7.594 HA :: 4.863 HB2 :: 3.180 HB3 :: 2.805 HD1 :: 7.534 HD2 :: 7.534 HE1 :: 7.172 HE2 :: 7.172 HZ :: 7.029 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 :: 120.320 Ave N Shift Values>> N :: 120.69(4.18) 1.T99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.760 CA :: 61.600 CB :: 71.790 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 :: 8.212 HA :: 4.280 HB :: 4.910 HG21 :: 1.072 HG22 :: 1.072 HG23 :: 1.072 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 :: 109.600 Ave N Shift Values>> N :: 115.7(5.05) 1.K100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 M 0.26 K 0.21 E 0.1 H 0.04 R 0.03 V 0.01 Y 0.01 C Shift Assignments>> C :: 173.380 CA :: 55.620 CB :: 34.150 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 :: 7.855 HA :: 4.272 HB2 :: 1.663 HB3 :: 1.525 HG2 :: 1.326 HG3 :: 1.181 HD2 :: 1.464 HE2 :: 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 :: 125.060 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.28 D 0.11 G 0.07 K 0.07 F 0.04 Y 0.03 HN Overlap>> 1.K34 1.K34 C Shift Assignments>> C :: 175.640 CA :: 54.790 CB :: 43.420 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 :: 8.308 HA :: 6.048 HB2 :: 3.310 HB3 :: 2.683 HD1 :: 7.195 HD2 :: 7.195 HE1 :: 7.080 HE2 :: 7.080 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.050 Ave N Shift Values>> N :: 120.69(4.18) 1.S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 HN Overlap>> 1.N37 1.N37 C Shift Assignments>> C :: 173.610 CA :: 56.820 CB :: 65.700 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.768 HA :: 4.745 HB2 :: 4.008 HB3 :: 3.612 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.350 Ave N Shift Values>> N :: 116.3(3.95) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.34 K 0.3 R 0.11 H 0.1 E 0.05 Q 0.03 V 0.02 C Shift Assignments>> C :: 174.430 CA :: 55.540 CB :: 33.180 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 :: 8.793 HA :: 5.540 HB2 :: 1.989 HB3 :: 1.889 HG2 :: 2.240 HG3 :: 2.145 HE21 :: 7.500 HE22 :: 6.831 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 :: 120.000 NE2 :: 111.020 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 L 0.28 M 0.14 K 0.01 C Shift Assignments>> C :: 175.630 CA :: 50.990 CB :: 22.200 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.837 HA :: 4.656 HB1 :: 1.205 HB2 :: 1.205 HB3 :: 1.205 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.090 Ave N Shift Values>> N :: 123.23(3.7) 1.S105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D12 1.D12 C Shift Assignments>> C :: 174.880 CA :: 57.690 CB :: 64.400 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.758 HA :: 5.304 HB2 :: 4.431 HB3 :: 3.716 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.800 Ave N Shift Values>> N :: 116.3(3.95) 1.V106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 Y 0.14 I 0.13 M 0.09 K 0.08 V 0.06 F 0.06 Q 0.03 C Shift Assignments>> C :: 174.140 CA :: 59.040 CB :: 35.860 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 :: 8.775 HA :: 4.666 HB :: 2.054 HG11 :: 0.710 HG12 :: 0.710 HG13 :: 0.710 HG21 :: 0.595 HG22 :: 0.595 HG23 :: 0.595 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.380 Ave N Shift Values>> N :: 121.02(4.96) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.2 K 0.12 N 0.11 F 0.11 Y 0.09 R 0.02 C Shift Assignments>> C :: 175.640 CA :: 54.600 CB :: 40.900 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.475 HA :: 4.739 HB2 :: 2.619 HB3 :: 2.500 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 :: 121.940 Ave N Shift Values>> N :: 120.73(4.2) 1.S108 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 :: 172.420 CA :: 55.690 CB :: 65.780 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.368 HA :: 4.972 HB2 :: 3.990 HB3 :: 3.666 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.490 Ave N Shift Values>> N :: 116.3(3.95) 1.P109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.45 P 0.4 I 0.06 R 0.02 K 0.01 E 0.01 M 0.01 C Shift Assignments>> C :: 177.940 CA :: 62.540 CB :: 32.200 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 :: 4.420 HB2 :: 2.259 HB3 :: 1.831 HG2 :: 2.034 HG3 :: 1.992 HD2 :: 3.529 HD3 :: 3.431 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.R110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 Q 0.16 I 0.16 E 0.15 H 0.13 R 0.09 L 0.04 M 0.02 V 0.01 HN Overlap>> 1.K47 1.K47 C Shift Assignments>> C :: 174.110 CA :: 58.780 CB :: 28.380 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 :: 8.372 HA :: 4.268 HB2 :: 1.396 HB3 :: 1.276 HG2 :: 1.674 HG3 :: 1.621 HD2 :: 3.227 HD3 :: 2.957 HE :: 7.829 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.270 NE :: 83.730 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.P111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.46 P 0.45 I 0.04 C Shift Assignments>> C :: 176.210 CA :: 63.480 CB :: 32.440 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.155 HB2 :: 2.280 HB3 :: 1.614 HG2 :: 1.969 HG3 :: 1.934 HD2 :: 3.571 HD3 :: 3.534 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.A112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.26 C Shift Assignments>> C :: 179.840 CA :: 53.060 CB :: 18.870 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.155 HA :: 3.868 HB1 :: 1.298 HB2 :: 1.298 HB3 :: 1.298 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.160 Ave N Shift Values>> N :: 123.23(3.7) 1.G113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.15 R 0.08 F 0.01 D 0.01 C Shift Assignments>> C :: 173.840 CA :: 44.930 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.041 HA2 :: 4.326 HA3 :: 3.419 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.260 Ave N Shift Values>> N :: 109.91(4.29) 1.E114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 H 0.17 M 0.16 E 0.15 K 0.13 Q 0.12 V 0.02 I 0.01 HN Overlap>> 1.F30 1.F30 C Shift Assignments>> C :: 175.720 CA :: 56.440 CB :: 31.140 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 :: 7.893 HA :: 4.184 HB2 :: 1.866 HB3 :: 1.687 HG2 :: 2.169 HG3 :: 1.921 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 :: 119.760 Ave N Shift Values>> N :: 120.68(3.68) 1.V115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.44 V 0.41 I 0.07 R 0.01 E 0.01 K 0.01 C Shift Assignments>> C :: 177.260 CA :: 62.920 CB :: 31.880 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 :: 9.167 HA :: 4.449 HB :: 2.194 HG11 :: 0.867 HG12 :: 0.867 HG13 :: 0.867 HG21 :: 0.810 HG22 :: 0.810 HG23 :: 0.810 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 :: 124.860 Ave N Shift Values>> N :: 121.02(4.96) 1.T116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.920 CA :: 61.790 CB :: 68.790 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.595 HA :: 4.412 HB :: 4.189 HG21 :: 1.026 HG22 :: 1.026 HG23 :: 1.026 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 :: 120.320 Ave N Shift Values>> N :: 115.7(5.05) 1.G117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.27 R 0.26 F 0.03 D 0.03 Y 0.01 K 0.01 C Shift Assignments>> C :: 170.670 CA :: 44.210 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.664 HA2 :: 4.327 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 :: 111.210 Ave N Shift Values>> N :: 109.91(4.29) 1.T118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.T51 1.T51 C Shift Assignments>> C :: 174.120 CA :: 59.380 CB :: 73.580 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 :: 8.332 HA :: 5.309 HB :: 4.033 HG1 :: 5.836 HG21 :: 0.877 HG22 :: 0.877 HG23 :: 0.877 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 :: 107.510 Ave N Shift Values>> N :: 115.7(5.05) 1.N119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.2 N 0.18 K 0.05 G 0.05 R 0.05 F 0.03 Y 0.02 C Shift Assignments>> C :: 173.460 CA :: 50.460 CB :: 41.960 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 :: 8.832 HA :: 4.672 HB2 :: 2.817 HB3 :: 2.460 HD21 :: 7.531 HD22 :: 6.839 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.450 ND2 :: 112.440 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P120 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HD2 :: 4.310 HD3 :: 4.180 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.P121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.56 P 0.28 I 0.03 K 0.03 Q 0.02 M 0.01 R 0.01 E 0.01 C Shift Assignments>> C :: 177.030 CA :: 62.320 CB :: 33.500 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 :: 4.725 HB2 :: 2.361 HB3 :: 1.764 HG2 :: 1.987 HG3 :: 1.987 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.A122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.37 I 0.01 C Shift Assignments>> C :: 178.230 CA :: 53.620 CB :: 18.050 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.599 HA :: 3.658 HB1 :: 1.333 HB2 :: 1.333 HB3 :: 1.333 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.110 Ave N Shift Values>> N :: 123.23(3.7) 1.G123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.15 R 0.08 F 0.01 D 0.01 C Shift Assignments>> C :: 174.260 CA :: 44.930 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.476 HA2 :: 4.305 HA3 :: 3.646 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.140 Ave N Shift Values>> N :: 109.91(4.29) 1.T124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.520 CA :: 63.820 CB :: 69.520 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 :: 7.679 HA :: 4.146 HB :: 3.885 HG21 :: 1.231 HG22 :: 1.231 HG23 :: 1.231 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.450 Ave N Shift Values>> N :: 115.7(5.05) 1.T125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.560 CA :: 63.110 CB :: 68.790 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 :: 8.838 HA :: 4.770 HB :: 3.919 HG21 :: 1.039 HG22 :: 1.039 HG23 :: 1.039 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 125.080 Ave N Shift Values>> N :: 115.7(5.05) 1.V126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.23 K 0.21 M 0.19 E 0.14 V 0.08 R 0.04 H 0.03 Y 0.02 I 0.01 C Shift Assignments>> C :: 173.080 CA :: 58.060 CB :: 34.150 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 :: 8.759 HA :: 5.038 HB :: 1.952 HG11 :: 1.047 HG12 :: 1.047 HG13 :: 1.047 HG21 :: 0.881 HG22 :: 0.881 HG23 :: 0.881 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.210 Ave N Shift Values>> N :: 121.02(4.96) 1.P127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.46 P 0.39 I 0.05 R 0.02 K 0.01 E 0.01 M 0.01 C Shift Assignments>> C :: 179.980 CA :: 62.540 CB :: 32.360 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 :: 4.900 HB2 :: 2.591 HB3 :: 2.172 HG2 :: 2.400 HG3 :: 2.288 HD2 :: 3.916 HD3 :: 3.828 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.47 V 0.4 I 0.1 C Shift Assignments>> C :: 175.470 CA :: 64.420 CB :: 31.310 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 :: 8.599 HA :: 4.026 HB :: 1.908 HG11 :: 0.741 HG12 :: 0.741 HG13 :: 0.741 HG21 :: 0.571 HG22 :: 0.571 HG23 :: 0.571 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.510 Ave N Shift Values>> N :: 121.02(4.96) 1.D129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.34 L 0.1 F 0.08 Y 0.08 K 0.02 C Shift Assignments>> C :: 175.420 CA :: 53.130 CB :: 39.920 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 :: 8.062 HA :: 4.756 HB2 :: 2.753 HB3 :: 2.627 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 :: 117.490 Ave N Shift Values>> N :: 120.73(4.2) 1.S130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 172.000 CA :: 58.700 CB :: 65.370 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.653 HA :: 4.388 HB2 :: 3.902 HB3 :: 3.877 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 :: 115.130 Ave N Shift Values>> N :: 116.3(3.95) 1.V131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.44 P 0.4 I 0.06 R 0.02 K 0.01 E 0.01 M 0.01 H 0.01 C Shift Assignments>> C :: 176.950 CA :: 62.540 CB :: 32.120 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 :: 8.395 HA :: 3.957 HB :: 1.826 HG11 :: 0.871 HG12 :: 0.871 HG13 :: 0.871 HG21 :: 0.652 HG22 :: 0.652 HG23 :: 0.652 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 :: 120.770 Ave N Shift Values>> N :: 121.02(4.96) 1.I132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 Y 0.3 F 0.3 E 0.02 L 0.01 C Shift Assignments>> C :: 174.260 CA :: 59.950 CB :: 39.030 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 :: 8.575 HA :: 4.181 HB :: 2.012 HG12 :: 1.165 HG13 :: 1.093 HG21 :: 0.656 HG22 :: 0.656 HG23 :: 0.656 HD11 :: 0.110 HD12 :: 0.110 HD13 :: 0.110 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 :: 130.380 Ave N Shift Values>> N :: 121.6(4.72) 1.E133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.28 K 0.2 H 0.16 R 0.16 E 0.08 Q 0.08 V 0.01 C Shift Assignments>> C :: 176.180 CA :: 54.860 CB :: 32.120 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 :: 8.372 HA :: 4.698 HB2 :: 1.795 HB3 :: 1.605 HG2 :: 2.335 HG3 :: 1.982 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 :: 127.500 Ave N Shift Values>> N :: 120.68(3.68) 1.L134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 K 0.2 D 0.17 R 0.15 F 0.08 Y 0.06 N 0.02 C Shift Assignments>> C :: 174.960 CA :: 55.240 CB :: 42.200 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 :: 9.130 HA :: 4.312 HB2 :: 1.870 HB3 :: 1.755 HG :: 1.228 HD11 :: 0.883 HD12 :: 0.883 HD13 :: 0.883 HD21 :: 0.667 HD22 :: 0.667 HD23 :: 0.667 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 :: 130.300 Ave N Shift Values>> N :: 121.98(4.07) 1.Q135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 R 0.21 Q 0.16 K 0.14 H 0.14 E 0.06 M 0.01 I 0.01 C Shift Assignments>> C :: 175.150 CA :: 54.710 CB :: 27.570 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 :: 8.334 HA :: 4.884 HB2 :: 1.596 HB3 :: 1.209 HG2 :: 1.962 HG3 :: 1.898 HE21 :: 7.095 HE22 :: 6.976 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 :: 123.870 NE2 :: 111.960 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.42 I 0.14 E 0.1 P 0.07 K 0.06 Q 0.04 Y 0.04 M 0.04 F 0.01 R 0.01 C Shift Assignments>> C :: 175.400 CA :: 61.410 CB :: 34.720 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 :: 4.435 HB :: 1.786 HG11 :: 0.710 HG12 :: 0.710 HG13 :: 0.710 HG21 :: 0.600 HG22 :: 0.600 HG23 :: 0.600 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 :: 125.300 Ave N Shift Values>> N :: 121.02(4.96) 1.S137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.040 CA :: 58.480 CB :: 63.340 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.760 HA :: 4.439 HB2 :: 3.665 HB3 :: 3.516 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.010 Ave N Shift Values>> N :: 116.3(3.95) 1.K138 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> Q 0.21 K 0.2 M 0.17 E 0.16 V 0.1 R 0.03 Y 0.03 H 0.03 I 0.02 C Shift Assignments>> C :: 179.770 CA :: 58.520 CB :: 34.310 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 :: 8.610 HA :: 4.131 HB2 :: 1.737 HB3 :: 1.703 HG2 :: 1.387 HG3 :: 1.329 HD2 :: 1.555 HE2 :: 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 :: 135.800(S) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) ########################################################################### Overall Results: #Consistent: 134 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 133 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 138 #Suspicious: 0 C Shift Results: #Consistent: 386 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 894 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 138 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.R32 HB3 = 0.836(S), Expected = 1.78, Std = 0.2800, ChiSquare = 7.4779e-04 1.N37 HA = 5.991(S), Expected = 4.70, Std = 0.3900, ChiSquare = 9.3211e-04 1.S40 CB = 69.920(S), Expected = 63.80, Std = 1.5700, ChiSquare = 9.6955e-05 1.K138 N = 135.800(S), Expected = 121.16, Std = 4.1100, ChiSquare = 3.6798e-04