Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.47 I 0.37 A 0.13 C Shift Assignments>> CE :: 16.787 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>> HE1 :: 2.145 HE2 :: 2.145 HE3 :: 2.145 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) 1.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.39 C 0.37 R 0.18 M 0.03 C Shift Assignments>> C :: 175.908 CA :: 56.581 CB :: 32.958 CG :: 24.675 CD :: 29.015 CE :: 42.145 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>> HA :: 4.376 HB2 :: 1.851 HB3 :: 1.851 HG2 :: 1.460 HG3 :: 1.460 HD2 :: 1.733 HD3 :: 1.733 HE2 :: 3.046 HE3 :: 3.046 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) 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.34 K 0.25 G 0.01 HN Overlap>> 1.I59 1.I59 C Shift Assignments>> C :: 175.908 CA :: 56.290 CB :: 34.978 CG :: 26.388 CD :: 29.499 CE :: 42.421 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 :: 8.613 HA :: 4.383 HB2 :: 1.922 HB3 :: 1.727 HG2 :: 1.633 HG3 :: 1.208 HD2 :: 1.935 HD3 :: 1.757 HE2 :: 2.973 HE3 :: 2.973 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 :: 123.165 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 M 0.29 E 0.24 Q 0.06 K 0.02 C Shift Assignments>> C :: 174.912 CA :: 54.675 CB :: 31.764 CG :: 35.678 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.653 HA :: 4.591 HB2 :: 2.042 HB3 :: 1.901 HG2 :: 2.276 HG3 :: 2.276 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 :: 121.186 Ave N Shift Values>> N :: 120.68(3.68) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.13 M 0.05 C Shift Assignments>> C :: 176.377 CA :: 56.229 CB :: 32.991 CG :: 24.260 CD :: 29.457 CE :: 41.895 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 :: 8.443 HA :: 3.785 HB2 :: 1.528 HB3 :: 1.390 HG2 :: 0.769 HG3 :: 0.520 HD2 :: 1.564 HD3 :: 1.564 HE2 :: 2.876 HE3 :: 2.876 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.266 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 173.154 CA :: 59.295 CB :: 40.381 CG1 :: 26.881 CG2 :: 17.220 CD1 :: 13.827 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 :: 9.075 HA :: 4.365 HB :: 1.575 HG12 :: 0.936 HG13 :: 1.296 HG21 :: 0.776 HG22 :: 0.776 HG23 :: 0.776 HD11 :: 0.806 HD12 :: 0.806 HD13 :: 0.806 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 :: 126.795 Ave N Shift Values>> N :: 121.6(4.72) 1.H7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.37 C 0.33 W 0.29 C Shift Assignments>> C :: 173.681 CA :: 54.463 CB :: 31.717 CD2 :: 120.052 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 :: 8.253 HA :: 5.507 HB2 :: 3.024 HB3 :: 2.820 HD2 :: 7.024 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 122.645 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 C 0.16 L 0.14 A 0.04 C Shift Assignments>> C :: 174.736 CA :: 53.120 CB :: 45.723 CG :: 25.437 CD1 :: 23.350 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 :: 8.853 HA :: 4.517 HB2 :: 1.461 HB3 :: 1.388 HG :: 0.896 HD11 :: 0.875 HD12 :: 0.875 HD13 :: 0.875 HD21 :: 0.875 HD22 :: 0.875 HD23 :: 0.875 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 :: 127.233 Ave N Shift Values>> N :: 121.98(4.07) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 M 0.2 E 0.15 HN Overlap>> 1.E31 1.E31 C Shift Assignments>> C :: 174.795 CA :: 54.675 CB :: 33.315 CG :: 36.830 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 :: 7.881 HA :: 5.220 HB2 :: 1.697 HB3 :: 1.697 HG2 :: 1.910 HG3 :: 1.910 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.621 Ave N Shift Values>> N :: 120.68(3.68) 1.Y10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.41 G 0.03 C Shift Assignments>> C :: 174.033 CA :: 56.681 CB :: 42.437 CD1 :: 133.211 CE1 :: 117.587 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 :: 9.280 HA :: 4.666 HB2 :: 2.832 HB3 :: 2.638 HD1 :: 6.934 HD2 :: 6.934 HE1 :: 6.718 HE2 :: 6.718 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 :: 122.148 Ave N Shift Values>> N :: 120.79(4.69) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 K 0.23 C 0.19 R 0.04 G 0.03 HN Overlap>> 1.I59 1.I59 C Shift Assignments>> C :: 176.963 CA :: 54.014 CB :: 42.680 CG :: 27.312 CD1 :: 24.408 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 :: 8.730 HA :: 5.153 HB2 :: 1.649 HB3 :: 1.470 HG :: 1.607 HD11 :: 0.861 HD12 :: 0.861 HD13 :: 0.861 HD21 :: 0.861 HD22 :: 0.861 HD23 :: 0.861 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 :: 123.138 Ave N Shift Values>> N :: 121.98(4.07) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.32 C 0.23 R 0.02 K 0.01 HN Overlap>> 1.F70 1.F70 C Shift Assignments>> CA :: 54.208 CB :: 44.800 CG :: 27.835 CD1 :: 24.273 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 :: 9.397 HA :: 4.740 HB2 :: 1.630 HB3 :: 1.551 HD11 :: 0.855 HD12 :: 0.855 HD13 :: 0.855 HD21 :: 0.855 HD22 :: 0.855 HD23 :: 0.855 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.227 Ave N Shift Values>> N :: 121.98(4.07) 1.N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 D 0.3 C 0.12 L 0.08 F 0.05 Y 0.05 K 0.01 HN Overlap>> 1.K43 1.K43 C Shift Assignments>> C :: 174.033 CA :: 52.646 CB :: 40.007 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 :: 8.445 HA :: 5.276 HB2 :: 2.787 HB3 :: 2.638 HD21 :: 7.705 HD22 :: 7.013 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.541 ND2 :: 111.814 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.13 C 0.04 L 0.02 C Shift Assignments>> C :: 177.080 CA :: 51.420 CB :: 20.352 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.238 HA :: 4.618 HB1 :: 1.105 HB2 :: 1.105 HB3 :: 1.105 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.641 Ave N Shift Values>> N :: 123.23(3.7) 1.T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> CA :: 63.101 CB :: 69.270 CG2 :: 21.220 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 :: 8.459 HA :: 4.258 HB :: 4.099 HG21 :: 1.144 HG22 :: 1.144 HG23 :: 1.144 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.877 Ave N Shift Values>> N :: 115.7(5.05) 1.S16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.24 Y 0.24 F 0.17 E 0.09 N 0.07 I 0.06 D 0.06 L 0.02 M 0.01 C Shift Assignments>> C :: 177.959 CA :: 56.666 CB :: 38.259 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> HA :: 4.666 HB2 :: 2.754 HB3 :: 2.903 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) 1.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 C Shift Assignments>> C :: 177.842 CA :: 63.552 CB :: 37.405 CG1 :: 28.870 CG2 :: 17.292 CD1 :: 12.352 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 :: 7.595 HA :: 3.838 HB :: 1.839 HG12 :: 1.517 HG13 :: 1.255 HG21 :: 0.984 HG22 :: 0.984 HG23 :: 0.984 HD11 :: 0.832 HD12 :: 0.832 HD13 :: 0.832 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 :: 121.118 Ave N Shift Values>> N :: 121.6(4.72) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.39 R 0.06 HN Overlap>> 1.D80 1.D80 C Shift Assignments>> C :: 177.256 CA :: 57.433 CB :: 41.245 CG :: 26.803 CD1 :: 26.560 CD2 :: 22.839 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 :: 7.235 HA :: 4.070 HB2 :: 1.495 HB3 :: 1.017 HG :: 1.615 HD11 :: 0.531 HD12 :: 0.531 HD13 :: 0.531 HD21 :: 0.496 HD22 :: 0.496 HD23 :: 0.496 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 :: 121.049 Ave N Shift Values>> N :: 121.98(4.07) 1.W21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.45 H 0.01 C Shift Assignments>> C :: 180.362 CA :: 58.687 CB :: 31.286 CD1 :: 125.733 CZ2 :: 114.247 CZ3 :: 120.659 CH2 :: 124.066 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.364 HA :: 4.831 HB2 :: 3.171 HB3 :: 3.330 HD1 :: 6.988 HE1 :: 11.706 HZ2 :: 7.313 HH2 :: 7.138 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 :: 115.916 NE1 :: 130.378 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.260 CA :: 62.348 CB :: 62.348 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.386 HA :: 4.078 HB2 :: 3.954 HB3 :: 3.888 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 :: 116.446 Ave N Shift Values>> N :: 116.3(3.95) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.4 C 0.03 I 0.02 HN Overlap>> 1.L111 1.L111 C Shift Assignments>> C :: 178.545 CA :: 55.016 CB :: 18.569 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.800 HA :: 4.041 HB1 :: 1.382 HB2 :: 1.382 HB3 :: 1.382 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.101 Ave N Shift Values>> N :: 123.23(3.7) 1.I24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 173.916 CA :: 61.746 CB :: 38.954 CG1 :: 25.476 CG2 :: 17.144 CD1 :: 13.716 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 :: 7.229 HA :: 4.848 HB :: 2.287 HG12 :: 1.045 HG13 :: 1.045 HG21 :: 0.900 HG22 :: 0.900 HG23 :: 0.900 HD11 :: 0.870 HD12 :: 0.870 HD13 :: 0.870 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 :: 105.641(S) Ave N Shift Values>> N :: 121.6(4.72) 1.S25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.88 T 0.11 C Shift Assignments>> C :: 174.267 CA :: 57.985 CB :: 66.166 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.965 HA :: 4.509 HB2 :: 1.537(S) HB3 :: 3.146 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 :: 106.608 Ave N Shift Values>> N :: 116.3(3.95) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.58 C 0.36 A 0.04 C Shift Assignments>> CA :: 57.483 CB :: 70.664 CG2 :: 22.011 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 :: 7.134 HA :: 4.769 HB :: 4.343 HG21 :: 1.128 HG22 :: 1.128 HG23 :: 1.128 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 :: 109.824 Ave N Shift Values>> N :: 115.7(5.05) 1.P27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 177.022 CA :: 66.295 CB :: 31.939 CG :: 28.193 CD :: 50.369 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 :: 3.888 HB2 :: 2.017 HB3 :: 2.017 HG2 :: 1.707 HG3 :: 2.267 HD2 :: 3.937 HD3 :: 3.789 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.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.904 CA :: 65.057 CB :: 68.453 CG2 :: 22.066 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 :: 7.602 HA :: 3.962 HB :: 4.008 HG21 :: 1.236 HG22 :: 1.236 HG23 :: 1.236 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 :: 107.273 Ave N Shift Values>> N :: 115.7(5.05) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 C 0.18 L 0.03 A 0.01 C Shift Assignments>> C :: 176.963 CA :: 47.057 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.760 HA2 :: 4.153 HA3 :: 3.896 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.972 Ave N Shift Values>> N :: 109.91(4.29) 1.L30 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 G 0.25 A 0.06 I 0.04 C Shift Assignments>> C :: 180.362 CA :: 57.953 CB :: 43.595 CG :: 26.928 CD1 :: 17.655(S) CD2 :: 17.282(S) 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 :: 8.562 HA :: 4.207 HB2 :: 1.115 HB3 :: 1.942 HG :: 1.295 HD11 :: 0.879 HD12 :: 0.879 HD13 :: 0.879 HD21 :: 0.773 HD22 :: 0.773 HD23 :: 0.773 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.183 Ave N Shift Values>> N :: 121.98(4.07) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.29 I 0.21 K 0.02 M 0.01 HN Overlap>> 1.E9 1.E9 C Shift Assignments>> C :: 176.787 CA :: 57.383 CB :: 29.500 CG :: 38.159 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 :: 7.847 HA :: 4.517 HB2 :: 2.207 HB3 :: 2.012 HG2 :: 2.584 HG3 :: 2.017 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 :: 119.539 Ave N Shift Values>> N :: 120.68(3.68) 1.D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.19 D 0.16 C 0.1 R 0.1 F 0.09 Y 0.07 N 0.02 C Shift Assignments>> C :: 176.377 CA :: 55.577 CB :: 41.835 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 :: 7.851 HA :: 4.931 HB2 :: 3.060 HB3 :: 3.060 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 :: 116.786 Ave N Shift Values>> N :: 120.73(4.2) 1.W33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.47 H 0.01 C Shift Assignments>> C :: 172.509 CA :: 57.935 CB :: 29.648 CD1 :: 127.921 CZ2 :: 114.428 CH2 :: 122.585 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 :: 7.439 HA :: 4.831 HB2 :: 3.044 HB3 :: 3.044 HD1 :: 7.616 HE1 :: 10.514 HZ2 :: 7.387 HH2 :: 7.779 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 :: 112.352 NE1 :: 131.955 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.F34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.44 Y 0.33 C 0.22 C Shift Assignments>> C :: 174.619 CA :: 60.091 CB :: 41.420 CD2 :: 131.362 CE2 :: 130.209 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 :: 7.488 HA :: 3.689 HB2 :: 2.106 HB3 :: 0.719(S) HD1 :: 6.222 HD2 :: 6.222 HE1 :: 6.084 HE2 :: 6.084 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 :: 125.044 Ave N Shift Values>> N :: 120.69(4.18) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 L 0.11 M 0.1 C 0.1 C Shift Assignments>> C :: 174.326 CA :: 50.455 CB :: 21.617 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.327 HA :: 4.162 HB1 :: 0.572 HB2 :: 0.572 HB3 :: 0.572 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.462 Ave N Shift Values>> N :: 123.23(3.7) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.19 F 0.12 D 0.12 C 0.11 Y 0.1 R 0.08 N 0.01 I 0.01 C Shift Assignments>> C :: 177.139 CA :: 56.480 CB :: 41.634 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 :: 7.251 HA :: 4.558 HB2 :: 2.638 HB3 :: 2.638 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.988 Ave N Shift Values>> N :: 120.73(4.2) 1.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.39 R 0.15 G 0.01 C Shift Assignments>> C :: 174.091 CA :: 54.875 CB :: 35.634 CG :: 24.841 CD :: 28.594 CE :: 42.059 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 :: 7.607 HA :: 4.691 HB2 :: 1.433 HB3 :: 1.524 HG2 :: 1.340 HG3 :: 1.153 HD2 :: 1.617 HD3 :: 1.617 HE2 :: 2.876 HE3 :: 2.810 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 :: 118.480 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 174.326 CA :: 60.994 CB :: 33.710 CG1 :: 21.978 CG2 :: 21.649 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 :: 9.712 HA :: 4.633 HB :: 1.918 HG11 :: 0.786 HG12 :: 0.786 HG13 :: 0.786 HG21 :: 0.356 HG22 :: 0.356 HG23 :: 0.356 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 :: 127.226 Ave N Shift Values>> N :: 121.02(4.96) 1.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.46 C Shift Assignments>> C :: 174.677 CA :: 60.342 CB :: 34.782 CG1 :: 19.891 CG2 :: 21.235 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 :: 4.326 HB :: 1.851 HG11 :: 0.766 HG12 :: 0.766 HG13 :: 0.766 HG21 :: 0.843 HG22 :: 0.843 HG23 :: 0.843 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 :: 124.620 Ave N Shift Values>> N :: 121.02(4.96) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 HN Overlap>> 1.I68 1.I68 C Shift Assignments>> C :: 173.857 CA :: 56.216 CB :: 65.877 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.818 HA :: 5.196 HB2 :: 3.628 HB3 :: 3.628 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 :: 119.023 Ave N Shift Values>> N :: 116.3(3.95) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.17 N 0.16 C 0.11 K 0.08 F 0.06 Y 0.05 R 0.02 C Shift Assignments>> C :: 175.967 CA :: 53.170 CB :: 41.087 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 :: 8.320 HA :: 4.773 HB2 :: 2.878 HB3 :: 2.596 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.740 Ave N Shift Values>> N :: 120.73(4.2) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.23 C 0.19 D 0.1 L 0.07 I 0.06 N 0.04 K 0.02 E 0.01 C Shift Assignments>> C :: 175.381 CA :: 57.037 CB :: 39.554 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 :: 8.738 HA :: 4.139 HB2 :: 2.932 HB3 :: 2.932 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 :: 116.995 Ave N Shift Values>> N :: 120.73(4.2) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.41 R 0.14 M 0.01 G 0.01 HN Overlap>> 1.N13 1.N13 C Shift Assignments>> C :: 175.967 CA :: 57.433 CB :: 34.079 CG :: 24.685 CD :: 28.667 CE :: 42.207 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 :: 8.456 HA :: 4.500 HB2 :: 2.038 HB3 :: 1.893 HG2 :: 1.463 HG3 :: 1.400 HD2 :: 1.662 HD3 :: 1.662 HE2 :: 2.980 HE3 :: 2.980 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.563 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 HN Overlap>> 1.H71 1.H71 C Shift Assignments>> C :: 173.271 CA :: 61.696 CB :: 71.025 CG2 :: 22.235 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 :: 9.060 HA :: 4.972 HB :: 4.078 HG21 :: 1.139 HG22 :: 1.139 HG23 :: 1.139 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.464 Ave N Shift Values>> N :: 115.7(5.05) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.4 C Shift Assignments>> C :: 174.384 CA :: 60.643 CB :: 33.710 CG1 :: 21.394 CG2 :: 22.186 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 :: 9.535 HA :: 4.542 HB :: 1.611 HG11 :: 0.720 HG12 :: 0.720 HG13 :: 0.720 HG21 :: 0.032 HG22 :: 0.032 HG23 :: 0.032 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 :: 125.681 Ave N Shift Values>> N :: 121.02(4.96) 1.T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 172.626 CA :: 62.549 CB :: 69.306 CG2 :: 21.275 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 :: 9.126 HA :: 4.542 HB :: 3.840 HG21 :: 0.974 HG22 :: 0.974 HG23 :: 0.974 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 122.682 Ave N Shift Values>> N :: 115.7(5.05) 1.F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.42 C 0.32 F 0.23 G 0.01 C Shift Assignments>> C :: 174.209 CA :: 56.932 CB :: 42.086 CD1 :: 131.862 CE1 :: 130.671 CZ :: 132.459 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 :: 8.928 HA :: 4.533 HB2 :: 2.787 HB3 :: 3.068 HD1 :: 7.214 HD2 :: 7.214 HE1 :: 6.640 HE2 :: 6.640 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 :: 126.234 Ave N Shift Values>> N :: 120.69(4.18) 1.C48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.14 R 0.13 E 0.13 W 0.13 Q 0.13 C 0.12 K 0.09 M 0.06 I 0.01 C Shift Assignments>> CA :: 56.530 CB :: 30.099 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.196 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 :: 116.977 Ave N Shift Values>> N :: 119.95(4.79) 1.W49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 174.640 CD1 :: 126.412 CZ2 :: 113.482 CH2 :: 123.372 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>> HA :: 4.335 HB2 :: 2.820 HB3 :: 2.820 HD1 :: 7.169 HE1 :: 9.722 HZ2 :: 6.548 HH2 :: 6.805 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>> NE1 :: 129.423 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.07 R 0.02 C Shift Assignments>> CA :: 45.547 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.723 HA2 :: 4.102 HA3 :: 3.896 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.711 Ave N Shift Values>> N :: 109.91(4.29) 1.K51 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.677 CA :: 62.133 CB :: 70.381 CG2 :: 21.824 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>> HA :: 4.561 HB :: 4.323 HG21 :: 1.115 HG22 :: 1.115 HG23 :: 1.115 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 M 0.16 Q 0.06 K 0.05 I 0.03 HN Overlap>> 1.L114 1.L114 C Shift Assignments>> C :: 176.241 CA :: 56.831 CB :: 30.952 CG :: 35.952 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 :: 7.844 HA :: 4.616 HB2 :: 2.290 HB3 :: 2.290 HG2 :: 2.236 HG3 :: 2.236 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 :: 122.687 Ave N Shift Values>> N :: 120.68(3.68) 1.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 C 0.32 Q 0.16 E 0.05 K 0.03 C Shift Assignments>> C :: 174.912 CA :: 54.596 CB :: 32.137 CG :: 33.450 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 :: 8.623 HA :: 5.664 HB2 :: 1.990 HB3 :: 1.990 HG2 :: 2.254 HG3 :: 2.254 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 124.017 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 K 0.22 G 0.07 R 0.06 C Shift Assignments>> C :: 174.560 CA :: 56.781 CB :: 35.651 CG :: 27.751 CD :: 43.072 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 :: 9.360 HA :: 4.715 HB2 :: 1.942 HB3 :: 1.752 HG2 :: 1.732 HG3 :: 1.732 HD2 :: 3.193 HD3 :: 3.193 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 :: 123.727 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.Q56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.39 C 0.36 Q 0.12 E 0.1 K 0.01 C Shift Assignments>> C :: 175.615 CA :: 55.062 CB :: 32.630 CG :: 34.300 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 :: 9.034 HA :: 5.760(S) HB2 :: 2.174 HB3 :: 1.944 HG2 :: 2.473 HG3 :: 2.473 HE21 :: 7.233 HE22 :: 6.806 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 :: 123.193 NE2 :: 111.299 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.24 P 0.11 K 0.08 A 0.07 M 0.04 R 0.01 C Shift Assignments>> C :: 175.791 CA :: 50.512 CB :: 23.848 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.985 HA :: 5.609 HB1 :: 1.335 HB2 :: 1.335 HB3 :: 1.335 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.748 Ave N Shift Values>> N :: 123.23(3.7) 1.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.27 G 0.16 C 0.09 D 0.04 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> C :: 174.033 CA :: 43.769 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.353 HA2 :: 4.997 HA3 :: 3.830 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.615 Ave N Shift Values>> N :: 109.91(4.29) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.23 HN Overlap>> 1.L11 1.K3 1.L11 1.K3 C Shift Assignments>> C :: 176.670 CA :: 62.348 CB :: 38.074 CG1 :: 28.499 CG2 :: 16.997 CD1 :: 12.862 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 :: 4.012 HB :: 1.653 HG12 :: 1.517 HG13 :: 0.644 HG21 :: 0.575 HG22 :: 0.575 HG23 :: 0.575 HD11 :: 0.680 HD12 :: 0.680 HD13 :: 0.680 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 :: 123.175 Ave N Shift Values>> N :: 121.6(4.72) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.2 M 0.01 I 0.01 C Shift Assignments>> C :: 176.201 CA :: 62.950 CB :: 32.944 CG1 :: 20.697 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 :: 8.942 HA :: 4.037 HB :: 1.719 HG11 :: 0.812 HG12 :: 0.812 HG13 :: 0.812 HG21 :: 0.812 HG22 :: 0.812 HG23 :: 0.812 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 :: 127.803 Ave N Shift Values>> N :: 121.02(4.96) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 A 0.31 M 0.15 C 0.13 K 0.03 C Shift Assignments>> C :: 173.857 CA :: 52.217 CB :: 22.311 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.566 HA :: 4.509 HB1 :: 1.429 HB2 :: 1.429 HB3 :: 1.429 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.520 Ave N Shift Values>> N :: 123.23(3.7) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.48 G 0.01 C Shift Assignments>> C :: 173.447 CA :: 60.215 CB :: 41.790 CG1 :: 28.572 CG2 :: 15.522 CD1 :: 14.564 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 :: 8.306 HA :: 4.394 HB :: 1.656 HG12 :: 0.988 HG13 :: 0.988 HG21 :: 0.872 HG22 :: 0.872 HG23 :: 0.872 HD11 :: 0.915 HD12 :: 0.915 HD13 :: 0.915 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 :: 118.538 Ave N Shift Values>> N :: 121.6(4.72) 1.R63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 C 0.17 K 0.15 H 0.11 R 0.11 W 0.08 E 0.06 Q 0.06 V 0.01 C Shift Assignments>> CA :: 54.875 CB :: 32.155 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 :: 8.218 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.777 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.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.61 M 0.35 C 0.01 C Shift Assignments>> C :: 176.436 CA :: 53.355 CB :: 17.846 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 3.008 HB1 :: 0.880 HB2 :: 0.880 HB3 :: 0.880 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.Y65 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.6 Y 0.24 F 0.08 H 0.04 W 0.01 C Shift Assignments>> C :: 172.275 CA :: 58.858 CB :: 35.236 CD2 :: 132.046 CE2 :: 117.917 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 :: 3.166(A) HA :: 3.000 HB2 :: 2.941 HB3 :: 2.941 HD1 :: 6.589 HD2 :: 6.589 HE1 :: 6.758 HE2 :: 6.758 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 :: 108.835 Ave N Shift Values>> N :: 120.79(4.69) 1.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.861 CA :: 58.888 CB :: 64.289 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.397 HA :: 5.162 HB2 :: 3.421 HB3 :: 3.523 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 :: 110.302 Ave N Shift Values>> N :: 116.3(3.95) 1.F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 C 0.29 F 0.28 G 0.01 C Shift Assignments>> C :: 171.689 CA :: 57.018 CB :: 42.038 CD2 :: 131.871 CE2 :: 130.886 CZ :: 131.478 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 :: 8.393 HA :: 6.121 HB2 :: 3.205 HB3 :: 2.960 HD1 :: 6.963 HD2 :: 6.963 HE1 :: 7.003 HE2 :: 7.003 HZ :: 7.217 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 :: 112.362 Ave N Shift Values>> N :: 120.69(4.18) 1.I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 G 0.17 I 0.12 HN Overlap>> 1.S40 1.S40 C Shift Assignments>> C :: 171.278 CA :: 60.442 CB :: 43.057 CG1 :: 27.909 CG2 :: 14.195 CD1 :: 15.488 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 :: 8.910 HA :: 4.674 HB :: 1.495 HG12 :: 0.061 HG13 :: 1.155 HG21 :: 1.059 HG22 :: 1.059 HG23 :: 1.059 HD11 :: 0.609 HD12 :: 0.609 HD13 :: 0.609 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.015 Ave N Shift Values>> N :: 121.6(4.72) 1.R69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 K 0.19 R 0.12 G 0.09 C Shift Assignments>> C :: 173.623 CA :: 54.460 CB :: 34.832 CG :: 26.690 CD :: 43.023 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 :: 8.650 HA :: 5.254 HB2 :: 1.702 HB3 :: 1.702 HG2 :: 1.429 HG3 :: 1.429 HD2 :: 3.188 HD3 :: 3.188 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 :: 127.233 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.F70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 C 0.25 F 0.17 Y 0.14 HN Overlap>> 1.L12 1.L12 C Shift Assignments>> C :: 174.792 CA :: 55.728 CB :: 44.293 CD1 :: 132.495 CE1 :: 130.116 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.305 HA :: 5.469 HB2 :: 2.055 HB3 :: 2.055 HD1 :: 6.506 HD2 :: 6.506 HE1 :: 6.934 HE2 :: 6.934 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 :: 125.172 Ave N Shift Values>> N :: 120.69(4.18) 1.H71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.38 C 0.32 W 0.29 HN Overlap>> 1.T44 1.T44 C Shift Assignments>> C :: 174.970 CA :: 53.922 CB :: 31.403 CD2 :: 121.300 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.032 HA :: 5.229 HB2 :: 3.168 HB3 :: 3.168 HD2 :: 7.061 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 116.448 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.W72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 W 0.17 H 0.1 C Shift Assignments>> C :: 178.135 CA :: 57.534 CB :: 31.438 CD1 :: 128.736 CZ2 :: 115.706 CH2 :: 125.860 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 :: 9.498 HA :: 5.171 HB2 :: 3.409 HB3 :: 3.168 HD1 :: 7.490 HE1 :: 10.224 HZ2 :: 6.923 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 :: 130.357 NE1 :: 131.989 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.26 L 0.22 I 0.14 R 0.04 C Shift Assignments>> C :: 178.135 CA :: 57.534 CB :: 40.486 CG :: 25.650 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 :: 9.104 HA :: 4.856 HB2 :: 1.711 HB3 :: 1.866 HG :: 0.987 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.097 Ave N Shift Values>> N :: 121.98(4.07) 1.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.28 C 0.12 L 0.1 F 0.06 Y 0.06 K 0.02 C Shift Assignments>> C :: 175.732 CA :: 53.070 CB :: 40.166 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 :: 8.606 HA :: 4.566 HB2 :: 2.957 HB3 :: 2.588 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.889 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 0.26 L 0.2 K 0.14 C 0.1 N 0.07 F 0.07 Y 0.06 R 0.04 C Shift Assignments>> C :: 177.315 CA :: 54.324 CB :: 41.388 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 :: 7.469 HA :: 4.566 HB2 :: 2.866 HB3 :: 2.704 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 :: 121.268 Ave N Shift Values>> N :: 120.73(4.2) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 I 0.09 K 0.09 M 0.05 Q 0.04 C Shift Assignments>> C :: 176.553 CA :: 58.035 CB :: 29.848 CG :: 36.173 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 :: 8.816 HA :: 4.177 HB2 :: 2.075 HB3 :: 2.075 HG2 :: 2.343 HG3 :: 2.331 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 :: 124.749 Ave N Shift Values>> N :: 120.68(3.68) 1.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 C 0.19 D 0.1 Y 0.05 F 0.03 E 0.01 L 0.01 M 0.01 C Shift Assignments>> C :: 175.967 CA :: 52.117 CB :: 38.023 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 :: 8.679 HA :: 4.807 HB2 :: 2.845 HB3 :: 2.845 HD21 :: 7.943 HD22 :: 6.990 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 :: 118.581 ND2 :: 113.376 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 I 0.11 K 0.1 Q 0.06 M 0.04 C Shift Assignments>> C :: 176.318 CA :: 58.772 CB :: 29.698 CG :: 35.878 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 :: 8.842 HA :: 3.846 HB2 :: 2.004 HB3 :: 2.004 HG2 :: 2.325 HG3 :: 2.325 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 :: 125.260 Ave N Shift Values>> N :: 120.68(3.68) 1.R79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.34 K 0.12 G 0.05 L 0.02 C Shift Assignments>> C :: 177.139 CA :: 56.029 CB :: 29.992 CG :: 27.416 CD :: 43.090 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 :: 8.254 HA :: 4.227 HB2 :: 1.951 HB3 :: 1.752 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 :: 114.882 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.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 N 0.16 C 0.14 F 0.13 Y 0.12 L 0.11 K 0.03 I 0.01 HN Overlap>> 1.L20 1.L20 C Shift Assignments>> C :: 175.439 CA :: 54.843 CB :: 39.998 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 :: 7.163 HA :: 3.750 HB2 :: 2.820 HB3 :: 2.401 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 :: 121.058 Ave N Shift Values>> N :: 120.73(4.2) 1.Y81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 C Shift Assignments>> C :: 174.150 CA :: 57.076 CB :: 39.227 CD1 :: 133.785 CE1 :: 117.471 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 :: 7.046 HA :: 5.618 HB2 :: 3.217 HB3 :: 3.217 HD1 :: 6.972 HD2 :: 6.972 HE1 :: 6.769 HE2 :: 6.769 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 :: 117.474 Ave N Shift Values>> N :: 120.79(4.69) 1.F82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 L 0.17 F 0.14 D 0.13 C 0.12 Y 0.11 R 0.06 N 0.02 I 0.01 C Shift Assignments>> C :: 174.033 CA :: 56.475 CB :: 41.333 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.338 HA :: 5.906 HB2 :: 3.667 HB3 :: 3.506 HD1 :: 6.991 HD2 :: 6.991 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 :: 113.890 Ave N Shift Values>> N :: 120.69(4.18) 1.E83 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 C 0.29 Y 0.13 F 0.08 D 0.06 M 0.04 K 0.01 I 0.01 L 0.01 C Shift Assignments>> C :: 173.388 CA :: 54.374 CB :: 37.371(S) 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 :: 9.671 HA :: 5.659 HB2 :: 2.207 HB3 :: 2.207 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 :: 124.201 Ave N Shift Values>> N :: 120.68(3.68) 1.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 173.798 CA :: 61.245 CB :: 39.596 CG1 :: 27.245 CG2 :: 20.315 CD1 :: 14.216 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 :: 8.642 HA :: 4.682 HB :: 2.108 HG12 :: 1.368 HG13 :: 2.059 HG21 :: 1.086 HG22 :: 1.086 HG23 :: 1.086 HD11 :: 1.386 HD12 :: 1.386 HD13 :: 1.386 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 :: 124.708 Ave N Shift Values>> N :: 121.6(4.72) 1.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 L 0.04 M 0.04 I 0.03 E 0.01 A 0.01 C Shift Assignments>> C :: 174.267 CA :: 53.922 CB :: 36.972 CD :: 24.694 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 :: 9.058 HA :: 5.717 HB2 :: 2.108 HB3 :: 1.797 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 :: 128.842 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.56 C 0.34 M 0.04 I 0.04 C Shift Assignments>> C :: 174.970 CA :: 53.571 CB :: 38.372 CG :: 30.065 CE :: 17.460 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 :: 9.844 HA :: 5.932(S) HB2 :: 2.091 HB3 :: 1.793 HE1 :: 2.251 HE2 :: 2.251 HE3 :: 2.251 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.581 Ave N Shift Values>> N :: 120.1(3.88) 1.S87 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 :: 172.275 CA :: 57.684 CB :: 65.157 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.870 HA :: 4.881 HB2 :: 3.979 HB3 :: 3.821 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 :: 115.365 Ave N Shift Values>> N :: 116.3(3.95) 1.Y88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 174.209 CA :: 56.731 CB :: 40.365 CD1 :: 132.455 CE1 :: 117.846 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.953 HA :: 4.426 HB2 :: 2.729 HB3 :: 2.729 HD1 :: 6.126 HD2 :: 6.126 HE1 :: 6.478 HE2 :: 6.478 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 :: 124.340 Ave N Shift Values>> N :: 120.79(4.69) 1.N89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 C 0.18 D 0.11 Y 0.04 F 0.03 L 0.01 C Shift Assignments>> C :: 173.916 CA :: 51.415 CB :: 38.239 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 :: 8.235 HA :: 4.566 HB2 :: 2.911 HB3 :: 2.337 HD21 :: 7.321 HD22 :: 6.724 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 :: 127.271 ND2 :: 112.379 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 K 0.12 I 0.1 Q 0.07 M 0.04 C Shift Assignments>> C :: 177.783 CA :: 58.336 CB :: 29.447 CG :: 35.878 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 :: 8.553 HA :: 3.590 HB2 :: 1.984 HB3 :: 1.984 HG2 :: 2.336 HG3 :: 2.336 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 :: 123.373 Ave N Shift Values>> N :: 120.68(3.68) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.34 R 0.03 C Shift Assignments>> C :: 178.780 CA :: 56.982 CB :: 41.785 CG :: 26.936 CD1 :: 24.326 CD2 :: 23.663 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 :: 8.068 HA :: 4.169 HB2 :: 1.777 HB3 :: 1.553 HG :: 1.591 HD11 :: 1.004 HD12 :: 1.004 HD13 :: 1.004 HD21 :: 0.880 HD22 :: 0.880 HD23 :: 0.880 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.251 Ave N Shift Values>> N :: 121.98(4.07) 1.T92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 176.260 CA :: 61.052 CB :: 69.678 CG2 :: 21.750 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 :: 6.973 HA :: 4.303 HB :: 4.231 HG21 :: 1.018 HG22 :: 1.018 HG23 :: 1.018 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 105.157 Ave N Shift Values>> N :: 115.7(5.05) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 173.095 CA :: 45.303 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.262 HA2 :: 4.095 HA3 :: 3.661 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.346 Ave N Shift Values>> N :: 109.91(4.29) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.25 K 0.12 C 0.1 R 0.1 N 0.06 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 174.150 CA :: 53.371 CB :: 42.205 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.383 HA :: 4.194 HB2 :: 2.638 HB3 :: 2.378 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 :: 118.497 Ave N Shift Values>> N :: 120.73(4.2) 1.Y95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 175.029 CA :: 57.985 CB :: 40.782 CD1 :: 133.185 CE1 :: 117.690 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.599 HA :: 5.113 HB2 :: 2.815 HB3 :: 2.621 HD1 :: 7.104 HD2 :: 7.104 HE1 :: 6.699 HE2 :: 6.699 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 115.393 Ave N Shift Values>> N :: 120.79(4.69) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.33 M 0.06 C Shift Assignments>> C :: 175.439 CA :: 61.195 CB :: 33.309 CG1 :: 21.126 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 :: 9.015 HA :: 4.707 HB :: 2.017 HG11 :: 0.856 HG12 :: 0.856 HG13 :: 0.856 HG21 :: 0.856 HG22 :: 0.856 HG23 :: 0.856 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 :: 121.653 Ave N Shift Values>> N :: 121.02(4.96) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 C 0.16 L 0.14 A 0.01 C Shift Assignments>> C :: 175.732 CA :: 52.332 CB :: 45.712 CG :: 27.254 CD1 :: 24.245 CD2 :: 26.660 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 :: 9.520 HA :: 5.523 HB2 :: 2.000 HB3 :: 1.264 HG :: 1.535 HD11 :: 0.855 HD12 :: 0.855 HD13 :: 0.855 HD21 :: 0.724 HD22 :: 0.724 HD23 :: 0.724 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 131.415 Ave N Shift Values>> N :: 121.98(4.07) 1.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 M 0.13 E 0.09 C Shift Assignments>> C :: 175.381 CA :: 54.374 CB :: 33.760 CG :: 37.350 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 :: 9.734 HA :: 5.303 HB2 :: 1.971 HB3 :: 1.912 HG2 :: 2.137 HG3 :: 2.137 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 :: 125.278 Ave N Shift Values>> N :: 120.68(3.68) 1.I99 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.57 I 0.41 C Shift Assignments>> C :: 176.143 CA :: 57.634 CB :: 39.697 CG1 :: 27.792 CG2 :: 15.154 CD1 :: 12.876 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 :: 9.148 HA :: 5.138 HB :: 1.438 HG12 :: 1.169 HG13 :: 1.071 HG21 :: -0.455(S) HG22 :: -0.455(S) HG23 :: -0.455(S) HD11 :: 0.645 HD12 :: 0.645 HD13 :: 0.645 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 :: 127.155 Ave N Shift Values>> N :: 121.6(4.72) 1.T100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 172.275 CA :: 61.295 CB :: 70.925 CG2 :: 21.235 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 :: 8.501 HA :: 5.245 HB :: 3.964 HG21 :: 1.045 HG22 :: 1.045 HG23 :: 1.045 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 122.083 Ave N Shift Values>> N :: 115.7(5.05) 1.D101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.14 C 0.09 R 0.05 D 0.03 C Shift Assignments>> C :: 173.564 CA :: 52.368 CB :: 44.752 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 :: 8.595 HA :: 5.361 HB2 :: 2.760 HB3 :: 2.510 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.979 Ave N Shift Values>> N :: 120.73(4.2) 1.F102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 F 0.25 G 0.23 Y 0.18 C Shift Assignments>> C :: 175.029 CA :: 56.932 CB :: 43.741 CD1 :: 131.644 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 :: 10.504 HA :: 5.477 HB2 :: 2.894 HB3 :: 2.629 HD1 :: 7.381 HD2 :: 7.381 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 :: 119.081 Ave N Shift Values>> N :: 120.69(4.18) 1.S103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.58 T 0.41 C Shift Assignments>> C :: 175.146 CA :: 57.067 CB :: 67.120 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.985 HA :: 4.749 HB2 :: 3.901 HB3 :: 3.441 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 :: 112.365 Ave N Shift Values>> N :: 116.3(3.95) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.36 I 0.17 K 0.05 M 0.02 C Shift Assignments>> C :: 179.952 CA :: 57.985 CB :: 29.572 CG :: 37.129 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 :: 9.521 HA :: 4.616 HB2 :: 2.307 HB3 :: 2.307 HG2 :: 2.422 HG3 :: 2.336 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 :: 126.723 Ave N Shift Values>> N :: 120.68(3.68) 1.A105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.22 I 0.07 C 0.04 V 0.02 C Shift Assignments>> C :: 179.952 CA :: 56.164 CB :: 18.448 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.390 HA :: 4.037 HB1 :: 1.512 HB2 :: 1.512 HB3 :: 1.512 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.298 Ave N Shift Values>> N :: 123.23(3.7) 1.D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.18 F 0.18 Y 0.18 C 0.16 L 0.11 N 0.08 K 0.04 I 0.02 C Shift Assignments>> C :: 176.553 CA :: 55.929 CB :: 39.929 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 :: 8.848 HA :: 4.525 HB2 :: 2.762 HB3 :: 2.762 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.724 Ave N Shift Values>> N :: 120.73(4.2) 1.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.33 M 0.2 Q 0.04 K 0.04 I 0.01 HN Overlap>> 1.R124 1.R124 C Shift Assignments>> C :: 176.436 CA :: 55.577 CB :: 31.202 CG :: 36.107 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 :: 7.427 HA :: 4.699 HB2 :: 2.356 HB3 :: 1.769 HG2 :: 2.237 HG3 :: 2.237 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 :: 116.960 Ave N Shift Values>> N :: 120.68(3.68) 1.A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.27 I 0.05 C 0.04 V 0.01 C Shift Assignments>> C :: 179.366 CA :: 55.878 CB :: 18.625 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.325 HA :: 4.070 HB1 :: 1.416 HB2 :: 1.416 HB3 :: 1.416 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.736 Ave N Shift Values>> N :: 123.23(3.7) 1.D109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.26 C 0.19 I 0.09 D 0.06 L 0.05 K 0.01 N 0.01 E 0.01 C Shift Assignments>> C :: 178.956 CA :: 57.784 CB :: 39.578 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 :: 8.603 HA :: 4.417 HB2 :: 2.671 HB3 :: 2.671 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 :: 117.973 Ave N Shift Values>> N :: 120.73(4.2) 1.D110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.22 C 0.17 D 0.11 L 0.09 I 0.05 K 0.05 N 0.03 C Shift Assignments>> C :: 178.721 CA :: 57.132 CB :: 40.030 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 :: 7.987 HA :: 4.326 HB2 :: 2.704 HB3 :: 2.563 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 :: 121.058 Ave N Shift Values>> N :: 120.73(4.2) 1.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.29 L 0.17 R 0.14 HN Overlap>> 1.A23 1.A23 C Shift Assignments>> C :: 178.663 CA :: 57.534 CB :: 41.735 CG :: 26.165 CD1 :: 27.761 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 :: 7.859 HA :: 4.252 HB2 :: 1.661 HB3 :: 1.984 HG :: 1.013 HD11 :: 1.018 HD12 :: 1.018 HD13 :: 1.018 HD21 :: 1.018 HD22 :: 1.018 HD23 :: 1.018 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 :: 123.156 Ave N Shift Values>> N :: 121.98(4.07) 1.K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.37 R 0.21 G 0.01 C Shift Assignments>> C :: 177.725 CA :: 60.543 CB :: 32.256 CG :: 25.724 CD :: 29.256 CE :: 42.212 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 :: 8.339 HA :: 4.086 HB2 :: 2.083 HB3 :: 2.025 HG2 :: 1.745 HG3 :: 1.436 HD2 :: 1.915 HD3 :: 1.753 HE2 :: 2.976 HE3 :: 2.976 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 :: 119.047 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.22 K 0.07 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.456 CA :: 59.540 CB :: 29.347 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 :: 7.895 HA :: 4.078 HB2 :: 2.133 HB3 :: 2.133 HG2 :: 2.472 HG3 :: 2.472 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 :: 117.433 Ave N Shift Values>> N :: 120.68(3.68) 1.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.43 HN Overlap>> 1.E53 1.E53 C Shift Assignments>> C :: 179.717 CA :: 58.236 CB :: 40.982 CG :: 26.213 CD1 :: 24.762 CD2 :: 22.786 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 :: 7.811 HA :: 4.053 HB2 :: 1.827 HB3 :: 1.437 HG :: 1.124 HD11 :: 0.354 HD12 :: 0.354 HD13 :: 0.354 HD21 :: 0.487 HD22 :: 0.487 HD23 :: 0.487 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.630 Ave N Shift Values>> N :: 121.98(4.07) 1.W115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.45 C 0.43 H 0.1 C Shift Assignments>> C :: 179.307 CA :: 61.646 CB :: 29.497 CD1 :: 128.534 CZ2 :: 114.294 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.501 HA :: 4.798 HB2 :: 3.490 HB3 :: 3.242 HD1 :: 6.875 HE1 :: 9.800 HZ2 :: 7.195 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.158 NE1 :: 129.578 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.21 C 0.16 K 0.1 L 0.09 I 0.07 D 0.06 R 0.01 C Shift Assignments>> C :: 180.128 CA :: 57.985 CB :: 40.531 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 :: 9.258 HA :: 4.492 HB2 :: 3.076 HB3 :: 2.778 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 :: 118.557 Ave N Shift Values>> N :: 120.73(4.2) 1.S117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.490 CA :: 61.395 CB :: 62.699 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.174 HA :: 4.351 HB2 :: 4.119 HB3 :: 4.119 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 :: 116.645 Ave N Shift Values>> N :: 116.3(3.95) 1.Q118 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.29 K 0.23 Q 0.22 E 0.09 R 0.07 I 0.03 M 0.02 P 0.01 C Shift Assignments>> C :: 179.307 CA :: 59.289 CB :: 28.394 CG :: 33.704 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 :: 8.520 HA :: 4.484 HB2 :: 2.737 HB3 :: 2.431 HG2 :: 2.137 HG3 :: 2.137 HE21 :: 6.132 HE22 :: 4.928(S) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 124.510 NE2 :: 107.197 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 178.077 CA :: 66.699 CB :: 30.851 CG1 :: 23.338 CG2 :: 20.683 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 :: 9.558 HA :: 3.492 HB :: 1.644 HG11 :: 0.672 HG12 :: 0.672 HG13 :: 0.672 HG21 :: 0.230 HG22 :: 0.230 HG23 :: 0.230 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 :: 121.614 Ave N Shift Values>> N :: 121.02(4.96) 1.S120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 S 0.01 C Shift Assignments>> C :: 177.373 CA :: 62.549 CB :: 67.615 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.130 HA :: 4.095 HB2 :: 4.095 HB3 :: 4.095 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 :: 115.559 Ave N Shift Values>> N :: 116.3(3.95) 1.K121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 V 0.19 K 0.11 W 0.11 M 0.07 R 0.07 E 0.05 Q 0.05 H 0.04 P 0.02 I 0.02 C Shift Assignments>> C :: 179.366 CA :: 59.905 CB :: 32.564 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 :: 7.419 HA :: 4.199 HB2 :: 2.560 HB3 :: 2.323 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 :: 121.080 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L122 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.62 L 0.33 A 0.03 C Shift Assignments>> C :: 178.487 CA :: 57.583 CB :: 39.984 CG :: 25.992 CD1 :: 25.598 CD2 :: 21.415 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 :: 8.152 HA :: 3.714 HB2 :: 1.726 HB3 :: 0.619 HG :: 1.438 HD11 :: -0.227(S) HD12 :: -0.227(S) HD13 :: -0.227(S) HD21 :: -0.316(S) HD22 :: -0.316(S) HD23 :: -0.316(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.251 Ave N Shift Values>> N :: 121.98(4.07) 1.R123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.28 K 0.26 C Shift Assignments>> C :: 178.838 CA :: 60.026 CB :: 30.132 CG :: 28.373 CD :: 41.618 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 :: 8.592 HA :: 4.805 HB2 :: 1.878 HB3 :: 1.878 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 :: 117.150 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.R124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 G 0.08 K 0.07 L 0.01 HN Overlap>> 1.E107 1.E107 C Shift Assignments>> C :: 178.604 CA :: 58.430 CB :: 29.952 CG :: 27.416 CD :: 43.384 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 :: 7.331 HA :: 4.215 HB2 :: 2.057 HB3 :: 2.057 HG2 :: 1.841 HG3 :: 1.696 HD2 :: 3.280 HD3 :: 3.280 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 :: 117.003 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.T125 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 :: 176.213 CA :: 65.507 CB :: 69.319 CG2 :: 21.712 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 :: 8.097 HA :: 4.150 HB :: 4.314 HG21 :: 1.395 HG22 :: 1.395 HG23 :: 1.395 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.162 Ave N Shift Values>> N :: 115.7(5.05) 1.C126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 P 0.14 C 0.13 R 0.09 W 0.08 K 0.04 E 0.03 Q 0.03 H 0.02 L 0.01 C Shift Assignments>> C :: 175.850 CA :: 61.044 CB :: 27.430 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.064 HA :: 4.815 HB2 :: 2.845 HB3 :: 2.845 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 115.989 Ave N Shift Values>> N :: 119.95(4.79) 1.G127 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 0.02 C Shift Assignments>> C :: 174.033 CA :: 45.595 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.514 HA2 :: 4.037 HA3 :: 3.807 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.287 Ave N Shift Values>> N :: 109.91(4.29) 1.F128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.36 C 0.26 C Shift Assignments>> C :: 175.850 CA :: 57.985 CB :: 39.578 CD1 :: 131.892 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 :: 7.948 HA :: 4.633 HB2 :: 3.101 HB3 :: 3.101 HD1 :: 7.224 HD2 :: 7.224 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 :: 120.050 Ave N Shift Values>> N :: 120.69(4.18) 1.L129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.27 R 0.07 G 0.03 A 0.01 C Shift Assignments>> C :: 177.139 CA :: 55.277 CB :: 42.688 CG :: 26.754 CD1 :: 25.061 CD2 :: 23.369 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 :: 8.244 HA :: 4.277 HB2 :: 1.545 HB3 :: 1.479 HD11 :: 0.898 HD12 :: 0.898 HD13 :: 0.898 HD21 :: 0.850 HD22 :: 0.850 HD23 :: 0.850 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 :: 123.003 Ave N Shift Values>> N :: 121.98(4.07) 1.E130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.1 K 0.07 I 0.05 Q 0.04 C Shift Assignments>> CA :: 56.881 CB :: 30.350 CG :: 36.314 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 :: 8.254 HA :: 4.142 HB2 :: 1.889 HB3 :: 1.889 HG2 :: 2.160 HG3 :: 2.160 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 :: 120.407 Ave N Shift Values>> N :: 120.68(3.68) 1.H131 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H132 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H133 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H134 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H135 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H136 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 125 #Clerical: 0 #Suspicious: 9 #Anomalous: 1 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 125 #Suspicious: 1 #Mistyped: 1 #Indeterminable: 9 Shift Relative Order (SRO) Results: #Consistent: 136 #Suspicious: 0 C Shift Results: #Consistent: 522 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent: 821 #Duplicate: 0 #Unknown: 0 #Suspicious: 14 #Anomalous: 1 N Shift Results: #Consistent: 129 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.I24 N = 105.641(S), Expected = 121.60, Std = 4.7200, ChiSquare = 7.2185e-04 1.S25 HB2 = 1.537(S), Expected = 3.88, Std = 0.2900, ChiSquare = 6.5134e-16 1.L30 Typing: Mistyped 1.L30 CD1 = 17.655(S), Expected = 24.73, Std = 1.7100, ChiSquare = 3.5122e-05 1.L30 CD2 = 17.282(S), Expected = 24.10, Std = 1.7800, ChiSquare = 1.2797e-04 1.F34 HB3 = 0.719(S), Expected = 2.97, Std = 0.3800, ChiSquare = 3.1481e-09 1.Q56 HA = 5.760(S), Expected = 4.28, Std = 0.4400, ChiSquare = 7.6923e-04 1.Y65 H = 3.166(A), Expected = 8.37, Std = 0.7500, ChiSquare = 3.9582e-12 1.E83 Typing: Suspicious 1.E83 CB = 37.371(S), Expected = 30.07, Std = 1.8400, ChiSquare = 7.2498e-05 1.M86 HA = 5.932(S), Expected = 4.39, Std = 0.4600, ChiSquare = 8.0180e-04 1.I99 HG21 = -0.455(S), Expected = 0.80, Std = 0.2900, ChiSquare = 1.5075e-05 1.I99 HG22 = -0.455(S), Expected = 0.80, Std = 0.2900, ChiSquare = 1.5075e-05 1.I99 HG23 = -0.455(S), Expected = 0.80, Std = 0.2900, ChiSquare = 1.5075e-05 1.Q118 HE22 = 4.928(S), Expected = 7.07, Std = 0.4900, ChiSquare = 1.2344e-05 1.L122 HD11 = -0.227(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.2198e-04 1.L122 HD12 = -0.227(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.2198e-04 1.L122 HD13 = -0.227(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.2198e-04 1.L122 HD21 = -0.316(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.2161e-04 1.L122 HD22 = -0.316(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.2161e-04 1.L122 HD23 = -0.316(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.2161e-04