Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.3 L 0.26 G 0.21 C 0.09 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> CA :: 43.923 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.813 HA3 :: 3.813 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.129 CA :: 56.292 CB :: 63.918 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.251 HA :: 4.280 HB2 :: 3.817 HB3 :: 3.817 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.55 C 0.44 C Shift Assignments>> C :: 174.636 CA :: 55.185 CB :: 59.613 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.359 HA :: 4.290 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 :: 123.685 Ave N Shift Values>> N :: 116.3(3.95) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.481 CA :: 45.360 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.910 HA3 :: 3.910 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.25 V 0.23 I 0.22 P 0.11 C 0.04 F 0.04 Y 0.03 S 0.02 C Shift Assignments>> C :: 174.429 CA :: 62.073 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.239 HA :: 4.266 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 :: 108.603 Ave N Shift Values>> N :: 116.3(3.95) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.6 C 0.27 S 0.12 C Shift Assignments>> C :: 175.523 CA :: 52.725 CB :: 61.212 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.315 HA :: 4.247 HB2 :: 4.089 HB3 :: 4.089 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 :: 122.596 Ave N Shift Values>> N :: 116.3(3.95) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.036 CA :: 45.345 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.365 HA2 :: 3.779 HA3 :: 3.779 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.14 C 0.09 R 0.08 F 0.01 D 0.01 C Shift Assignments>> C :: 173.550 CA :: 44.880 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.937 HA2 :: 3.632 HA3 :: 3.632 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.981 Ave N Shift Values>> N :: 109.91(4.29) 1.Y9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 C Shift Assignments>> C :: 174.972 CA :: 56.769 CB :: 39.196 CD1 :: 131.565 CD2 :: 131.565 CE1 :: 117.789 CE2 :: 117.789 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 :: 7.580 HA :: 4.575 HB2 :: 2.969 HB3 :: 2.576 HD1 :: 6.568 HD2 :: 6.568 HE1 :: 6.110 HE2 :: 6.110 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.864 Ave N Shift Values>> N :: 120.79(4.69) 1.M10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 A 0.35 M 0.15 I 0.04 C Shift Assignments>> C :: 174.525 CA :: 54.201 CB :: 36.859 CG :: 29.971 CE :: 16.811 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 :: 9.472 HA :: 4.925 HB2 :: 2.238 HB3 :: 2.088 HG2 :: 2.363 HG3 :: 2.807 HE1 :: 2.185 HE2 :: 2.185 HE3 :: 2.185 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.708 Ave N Shift Values>> N :: 120.1(3.88) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.18 K 0.13 C 0.11 F 0.1 Y 0.09 N 0.07 R 0.03 HN Overlap>> 1.N160 1.N160 1.Q157 1.Q157 C Shift Assignments>> C :: 177.468 CA :: 54.913 CB :: 41.041 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 :: 8.534 HA :: 4.691 HB2 :: 2.845 HB3 :: 2.662 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.963 Ave N Shift Values>> N :: 120.73(4.2) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.26 A 0.14 R 0.1 G 0.02 C Shift Assignments>> C :: 177.451 CA :: 54.505 CB :: 42.394 CG :: 26.158 CD1 :: 26.773 CD2 :: 21.989 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 :: 9.066 HA :: 4.744 HB2 :: 1.864 HB3 :: 1.769 HG :: 1.835 HD11 :: 0.444 HD12 :: 0.444 HD13 :: 0.444 HD21 :: 0.480 HD22 :: 0.480 HD23 :: 0.480 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 :: 125.705 Ave N Shift Values>> N :: 121.98(4.07) 1.M13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 M 0.23 I 0.03 C Shift Assignments>> C :: 175.994 CA :: 59.966 CB :: 29.113 CG :: 32.205 CE :: 17.180 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.675 HA :: 4.497 HB2 :: 2.073 HB3 :: 2.614 HG2 :: 2.700 HG3 :: 2.804 HE1 :: 2.122 HE2 :: 2.122 HE3 :: 2.122 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 123.373 Ave N Shift Values>> N :: 120.1(3.88) 1.P14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.18 C Shift Assignments>> C :: 176.841 CA :: 65.470 CB :: 31.201 CG :: 27.955 CD :: 50.865 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 :: 4.346 HB2 :: 2.169 HB3 :: 1.021 HG2 :: 1.827 HG3 :: 1.827 HD2 :: 3.593 HD3 :: 3.593 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.F15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 C 0.43 C Shift Assignments>> C :: 175.192 CA :: 57.401 CB :: 39.196 CD1 :: 131.442 CD2 :: 131.442 CE1 :: 131.319 CE2 :: 131.319 CZ :: 129.843 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 :: 8.391 HA :: 4.743 HB2 :: 3.600 HB3 :: 3.251 HD1 :: 7.288 HD2 :: 7.288 HE1 :: 7.323 HE2 :: 7.323 HZ :: 7.286 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 :: 114.433 Ave N Shift Values>> N :: 120.69(4.18) 1.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 175.853 CA :: 63.131 CB :: 38.458 CG1 :: 28.696 CG2 :: 16.688 CD1 :: 13.244 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 :: 7.974 HA :: 4.020 HB :: 2.025 HG12 :: 1.891 HG13 :: 0.692 HG21 :: 0.720 HG22 :: 0.720 HG23 :: 0.720 HD11 :: 0.903 HD12 :: 0.903 HD13 :: 0.903 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 :: 121.741 Ave N Shift Values>> N :: 121.6(4.72) 1.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 C 0.25 D 0.05 Y 0.03 F 0.02 M 0.01 E 0.01 C Shift Assignments>> C :: 176.364 CA :: 50.773 CB :: 37.474 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 :: 8.772 HA :: 4.906 HB2 :: 2.505 HB3 :: 2.590 HD21 :: 6.945 HD22 :: 7.571 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 125.783 ND2 :: 110.157 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.2 C Shift Assignments>> C :: 178.696 CA :: 60.351 CB :: 31.693 CG :: 25.378 CD :: 28.599 CE :: 41.756 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 :: 8.942 HA :: 4.164 HB2 :: 1.969 HB3 :: 1.881 HG2 :: 1.463 HG3 :: 1.639 HD2 :: 1.742 HD3 :: 1.804 HE2 :: 3.016 HE3 :: 3.016 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.094 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.4 C 0.02 I 0.01 C Shift Assignments>> C :: 178.168 CA :: 53.975 CB :: 18.169 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.990 HA :: 4.254 HB1 :: 1.462 HB2 :: 1.462 HB3 :: 1.462 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.408 Ave N Shift Values>> N :: 123.23(3.7) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.15 R 0.09 C 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 173.867 CA :: 44.818 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.540 HA2 :: 4.396 HA3 :: 3.332 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.314 Ave N Shift Values>> N :: 109.91(4.29) 1.C21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 C 0.16 R 0.14 H 0.12 Q 0.11 K 0.1 I 0.08 M 0.04 V 0.03 C Shift Assignments>> C :: 173.855 CA :: 58.910 CB :: 29.848 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.122 HA :: 4.758 HB2 :: 2.525 HB3 :: 3.093 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.387 Ave N Shift Values>> N :: 119.95(4.79) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 M 0.16 E 0.1 C Shift Assignments>> C :: 173.560 CA :: 55.545 CB :: 34.153 CG :: 36.420 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 :: 8.614 HA :: 4.369 HB2 :: 1.874 HB3 :: 1.804 HG2 :: 1.993 HG3 :: 1.953 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 :: 120.264 Ave N Shift Values>> N :: 120.68(3.68) 1.C23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 K 0.16 Q 0.15 C 0.12 H 0.11 E 0.1 L 0.07 I 0.06 M 0.01 C Shift Assignments>> C :: 173.256 CA :: 57.564 CB :: 28.126 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.951 HA :: 5.182 HB2 :: 3.023 HB3 :: 2.060 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 :: 124.539 Ave N Shift Values>> N :: 119.95(4.79) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.26 R 0.1 G 0.04 A 0.04 C Shift Assignments>> C :: 177.542 CA :: 54.954 CB :: 42.895 CG :: 27.388 CD1 :: 24.899 CD2 :: 22.837 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 :: 9.109 HA :: 4.703 HB2 :: 1.737 HB3 :: 1.737 HG :: 1.587 HD11 :: 0.783 HD12 :: 0.783 HD13 :: 0.783 HD21 :: 0.766 HD22 :: 0.766 HD23 :: 0.766 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.283 Ave N Shift Values>> N :: 121.98(4.07) 1.N25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.38 D 0.19 C 0.16 Y 0.09 F 0.08 L 0.04 E 0.01 C Shift Assignments>> C :: 175.057 CA :: 53.669 CB :: 38.823 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 :: 9.066 HA :: 4.718 HB2 :: 2.650 HB3 :: 2.650 HD21 :: 6.250 HD22 :: 9.189(S) 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 :: 118.320 ND2 :: 115.210 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 M 0.31 E 0.2 Q 0.1 K 0.02 C Shift Assignments>> C :: 176.699 CA :: 55.892 CB :: 32.209 CG :: 35.014 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 :: 7.719 HA :: 4.186 HB2 :: 2.248 HB3 :: 2.137 HG2 :: 2.649 HG3 :: 2.252 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 :: 117.853 Ave N Shift Values>> N :: 120.68(3.68) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.627 CA :: 58.340 CB :: 64.287 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.502 HA :: 4.280 HB2 :: 4.082 HB3 :: 4.150 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 :: 120.565 Ave N Shift Values>> N :: 116.3(3.95) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.17 L 0.16 F 0.16 D 0.14 Y 0.13 C 0.13 R 0.03 N 0.02 I 0.02 C Shift Assignments>> C :: 177.119 CA :: 56.525 CB :: 41.041 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 :: 8.824 HA :: 4.377 HB2 :: 2.650 HB3 :: 2.650 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.539 Ave N Shift Values>> N :: 120.73(4.2) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.34 M 0.17 I 0.03 Q 0.02 K 0.02 C Shift Assignments>> C :: 175.970 CA :: 57.380 CB :: 31.570 CG :: 36.244 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 :: 8.133 HA :: 4.044 HB2 :: 1.679 HB3 :: 1.483 HG2 :: 1.992 HG3 :: 1.713 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 :: 117.162 Ave N Shift Values>> N :: 120.68(3.68) 1.H30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.59 C 0.4 C Shift Assignments>> C :: 174.245 CA :: 54.322 CB :: 30.832 CD2 :: 120.864 CE1 :: 137.715 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.298 HA :: 4.569 HB2 :: 3.497 HB3 :: 2.972 HD2 :: 7.116 HE1 :: 8.027 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.264 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G31 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 :: 174.873 CA :: 45.634 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.004 HA2 :: 3.959 HA3 :: 4.689 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.302 Ave N Shift Values>> N :: 109.91(4.29) 1.F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.27 C Shift Assignments>> C :: 176.852 CA :: 61.212 CB :: 40.115 CD1 :: 131.688 CD2 :: 131.688 CE1 :: 131.073 CE2 :: 131.073 CZ :: 129.105 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 :: 9.407 HA :: 4.282 HB2 :: 2.973 HB3 :: 3.284 HD1 :: 7.215 HD2 :: 7.215 HE1 :: 7.174 HE2 :: 7.174 HZ :: 7.079 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 :: 118.320 Ave N Shift Values>> N :: 120.69(4.18) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.22 C 0.17 L 0.09 D 0.09 K 0.07 I 0.06 N 0.01 HN Overlap>> 1.V61 1.V61 C Shift Assignments>> C :: 178.144 CA :: 57.462 CB :: 40.260 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 :: 8.830 HA :: 3.887 HB2 :: 2.511 HB3 :: 2.511 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 :: 116.610 Ave N Shift Values>> N :: 120.73(4.2) 1.N34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 N 0.2 Y 0.17 F 0.11 E 0.09 D 0.08 I 0.02 M 0.02 L 0.02 HN Overlap>> 1.R97 1.R97 C Shift Assignments>> C :: 178.348 CA :: 55.260 CB :: 37.966 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 :: 7.414 HA :: 4.130 HB2 :: 2.668 HB3 :: 2.668 HD21 :: 7.597 HD22 :: 7.285 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 :: 114.650 ND2 :: 111.867 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.C35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 C 0.14 I 0.13 K 0.12 Q 0.12 L 0.09 H 0.08 E 0.08 HN Overlap>> 1.Q125 1.Q125 C Shift Assignments>> C :: 172.579 CA :: 58.482 CB :: 27.513 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.675 HA :: 4.906 HB2 :: 2.576 HB3 :: 2.902 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 :: 114.588 Ave N Shift Values>> N :: 119.95(4.79) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.27 A 0.14 R 0.02 C Shift Assignments>> C :: 177.084 CA :: 54.301 CB :: 41.410 CG :: 26.158 CD1 :: 26.035 CD2 :: 22.066 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 :: 6.759 HA :: 4.535 HB2 :: 1.649 HB3 :: 1.649 HG :: 1.224 HD11 :: 0.760 HD12 :: 0.760 HD13 :: 0.760 HD21 :: 0.622 HD22 :: 0.622 HD23 :: 0.622 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 :: 117.775 Ave N Shift Values>> N :: 121.98(4.07) 1.R37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.29 K 0.21 G 0.09 C Shift Assignments>> C :: 175.353 CA :: 54.831 CB :: 33.120 CG :: 27.974 CD :: 43.413 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 :: 6.983 HA :: 4.451 HB2 :: 1.494 HB3 :: 1.701 HG2 :: 1.584 HG3 :: 1.356 HD2 :: 3.047 HD3 :: 3.265 HE :: 7.500 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 :: 116.804 NE :: 85.046 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.K38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.34 K 0.31 R 0.29 L 0.01 M 0.01 G 0.01 C Shift Assignments>> C :: 173.520 CA :: 55.463 CB :: 29.602 CG :: 24.878 CD :: 29.110 CE :: 42.032 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 :: 8.668 HA :: 3.632 HB2 :: 1.569 HB3 :: 0.654(S) HG2 :: 0.470(S) HG3 :: 0.785 HD2 :: 1.299 HD3 :: 1.264 HE2 :: 2.837 HE3 :: 2.766 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.494 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.17 L 0.17 C 0.11 K 0.07 F 0.04 Y 0.03 R 0.02 C Shift Assignments>> C :: 177.273 CA :: 52.323 CB :: 41.287 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 :: 8.267 HA :: 4.610 HB2 :: 2.830 HB3 :: 3.195 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 :: 125.628 Ave N Shift Values>> N :: 120.73(4.2) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 176.426 CA :: 62.520 CB :: 68.724 CG2 :: 21.853 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 :: 8.021 HA :: 4.320 HB :: 4.578 HG21 :: 1.235 HG22 :: 1.235 HG23 :: 1.235 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 :: 106.971 Ave N Shift Values>> N :: 115.7(5.05) 1.T41 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 :: 174.487 CA :: 62.565 CB :: 69.442 CG2 :: 21.853 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 :: 8.045 HA :: 4.260 HB :: 4.022 HG21 :: 1.046 HG22 :: 1.046 HG23 :: 1.046 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 :: 116.235 Ave N Shift Values>> N :: 115.7(5.05) 1.F42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.33 C Shift Assignments>> C :: 174.474 CA :: 54.627 CB :: 41.287 CD1 :: 132.303 CD2 :: 132.303 CE1 :: 130.704 CE2 :: 130.704 CZ :: 128.982 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 :: 7.761 HA :: 5.238 HB2 :: 2.731 HB3 :: 2.450 HD1 :: 6.853 HD2 :: 6.853 HE1 :: 6.898 HE2 :: 6.898 HZ :: 6.645 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 :: 114.899 Ave N Shift Values>> N :: 120.69(4.18) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 C 0.24 L 0.16 R 0.05 A 0.01 C Shift Assignments>> C :: 174.936 CA :: 53.404 CB :: 44.967 CG :: 28.987 CD1 :: 23.944 CD2 :: 24.928 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 :: 8.759 HA :: 4.561 HB2 :: 1.856 HB3 :: 1.683 HG :: 1.215 HD11 :: 1.254 HD12 :: 1.254 HD13 :: 1.254 HD21 :: 0.894 HD22 :: 0.894 HD23 :: 0.894 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.073 Ave N Shift Values>> N :: 121.98(4.07) 1.E44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.94 M 0.03 E 0.01 C Shift Assignments>> C :: 174.684 CA :: 53.463 CB :: 35.137 CG :: 37.432 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 :: 8.550 HA :: 5.997(S) HB2 :: 2.026 HB3 :: 2.309 HG2 :: 2.180 HG3 :: 3.453(S) 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 :: 122.207 Ave N Shift Values>> N :: 120.68(3.68) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.718 CA :: 58.645 CB :: 64.651 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.632 HA :: 5.132 HB2 :: 4.506 HB3 :: 3.590 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 :: 120.497 Ave N Shift Values>> N :: 116.3(3.95) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.2 D 0.13 R 0.13 C 0.1 F 0.09 Y 0.07 N 0.01 HN Overlap>> 1.E96 1.E96 C Shift Assignments>> C :: 176.363 CA :: 55.892 CB :: 42.033 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 :: 7.715 HA :: 4.718 HB2 :: 2.121 HB3 :: 2.904 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 :: 117.076 Ave N Shift Values>> N :: 120.73(4.2) 1.C47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.22 C 0.16 K 0.12 R 0.11 E 0.11 Q 0.09 H 0.08 L 0.02 V 0.01 P 0.01 M 0.01 C Shift Assignments>> C :: 174.286 CA :: 59.787 CB :: 28.423 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.851 HA :: 4.378 HB2 :: 2.969 HB3 :: 2.916 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 :: 114.199 Ave N Shift Values>> N :: 119.95(4.79) 1.D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 C 0.18 D 0.16 Y 0.13 F 0.1 L 0.03 E 0.02 I 0.01 C Shift Assignments>> C :: 175.772 CA :: 54.342 CB :: 38.630 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 :: 8.154 HA :: 4.513 HB2 :: 3.017 HB3 :: 3.184 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.253 Ave N Shift Values>> N :: 120.73(4.2) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.24 Q 0.19 K 0.18 M 0.05 I 0.04 R 0.01 C Shift Assignments>> C :: 176.023 CA :: 58.054 CB :: 29.430 CG :: 34.856 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 :: 10.332 HA :: 4.058 HB2 :: 1.890 HB3 :: 1.729 HG2 :: 2.540 HG3 :: 1.898 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 :: 118.164 Ave N Shift Values>> N :: 120.68(3.68) 1.Q50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.27 M 0.16 Q 0.14 K 0.1 I 0.01 C Shift Assignments>> C :: 176.108 CA :: 56.259 CB :: 30.580 CG :: 35.260 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 :: 8.238 HA :: 4.838 HB2 :: 1.866 HB3 :: 2.004 HG2 :: 2.210 HG3 :: 2.226 HE21 :: 7.161 HE22 :: 7.545 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 :: 120.095 NE2 :: 111.090 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 A 0.01 C Shift Assignments>> C :: 175.917 CA :: 54.444 CB :: 50.019(S) CG :: 28.126 CD1 :: 24.805 CD2 :: 26.404 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 :: 8.051 HA :: 5.191 HB2 :: 1.633 HB3 :: 1.499 HG :: 1.238 HD11 :: 0.895 HD12 :: 0.895 HD13 :: 0.895 HD21 :: 0.780 HD22 :: 0.780 HD23 :: 0.780 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 :: 116.610 Ave N Shift Values>> N :: 121.98(4.07) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.3 C 0.23 R 0.04 C Shift Assignments>> C :: 175.470 CA :: 54.816 CB :: 45.099 CG :: 28.003 CD1 :: 25.174 CD2 :: 24.559 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 :: 7.449 HA :: 5.427 HB2 :: 1.405 HB3 :: 1.154 HG :: 1.239 HD11 :: 0.369 HD12 :: 0.369 HD13 :: 0.369 HD21 :: -0.004 HD22 :: -0.004 HD23 :: -0.004 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 :: 122.985 Ave N Shift Values>> N :: 121.98(4.07) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.42 G 0.02 C Shift Assignments>> C :: 174.911 CA :: 60.644 CB :: 42.148 CG1 :: 28.126 CG2 :: 18.754 CD1 :: 13.982 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 :: 9.471 HA :: 4.638 HB :: 1.872 HG12 :: 1.238 HG13 :: 1.735 HG21 :: 0.923 HG22 :: 0.923 HG23 :: 0.923 HD11 :: 0.852 HD12 :: 0.852 HD13 :: 0.852 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 :: 128.661 Ave N Shift Values>> N :: 121.6(4.72) 1.T54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 HN Overlap>> 1.T131 1.T131 C Shift Assignments>> C :: 173.333 CA :: 62.438 CB :: 70.682 CG2 :: 20.500 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 :: 9.526 HA :: 5.445 HB :: 3.904 HG21 :: 1.056 HG22 :: 1.056 HG23 :: 1.056 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 :: 125.240 Ave N Shift Values>> N :: 115.7(5.05) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.49 C Shift Assignments>> C :: 173.352 CA :: 59.706 CB :: 34.270 CG1 :: 21.361 CG2 :: 22.085 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 :: 9.463 HA :: 4.808 HB :: 1.899 HG11 :: 1.030 HG12 :: 1.030 HG13 :: 1.030 HG21 :: 0.582 HG22 :: 0.582 HG23 :: 0.582 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 :: 124.462 Ave N Shift Values>> N :: 121.02(4.96) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 C 0.08 M 0.08 L 0.06 C Shift Assignments>> C :: 175.770 CA :: 49.978 CB :: 21.331 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.720 HA :: 4.644 HB1 :: 1.378 HB2 :: 1.378 HB3 :: 1.378 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.960 Ave N Shift Values>> N :: 123.23(3.7) 1.F57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 C 0.33 G 0.02 HN Overlap>> 1.N126 1.N126 C Shift Assignments>> C :: 177.525 CA :: 57.442 CB :: 42.271 CD1 :: 131.934 CD2 :: 131.934 CE1 :: 130.581 CE2 :: 130.581 CZ :: 129.351 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 :: 8.309 HA :: 5.280 HB2 :: 3.444 HB3 :: 2.899 HD1 :: 6.872 HD2 :: 6.872 HE1 :: 6.867 HE2 :: 6.867 HZ :: 7.091 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 :: 118.553 Ave N Shift Values>> N :: 120.69(4.18) 1.N58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 D 0.2 C 0.16 Y 0.12 F 0.11 L 0.06 E 0.01 I 0.01 C Shift Assignments>> C :: 174.194 CA :: 54.383 CB :: 39.109 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 :: 9.804 HA :: 4.585 HB2 :: 3.059 HB3 :: 2.850 HD21 :: 6.825 HD22 :: 7.590 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 :: 120.264 ND2 :: 110.934 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 M 0.25 Q 0.19 K 0.17 R 0.04 E 0.02 C Shift Assignments>> C :: 170.702 CA :: 52.938 CB :: 30.340 CG :: 32.800 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.929 HA :: 4.825 HB2 :: 2.260 HB3 :: 2.157 HG2 :: 2.315 HG3 :: 1.822 HE21 :: 7.773 HE22 :: 6.901 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 :: 114.665 NE2 :: 112.023 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P60 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 :: 178.260 CA :: 62.906 CB :: 31.324 CG :: 28.139 CD :: 49.773 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 :: 4.576 HB2 :: 2.141 HB3 :: 1.619 HG2 :: 2.134 HG3 :: 1.994 HD2 :: 3.694 HD3 :: 3.694 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.V61 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.89 I 0.05 V 0.04 A 0.01 HN Overlap>> 1.D33 1.D33 C Shift Assignments>> C :: 172.619 CA :: 59.032 CB :: 35.875 CG1 :: 20.042 CG2 :: 17.303 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 :: 8.882 HA :: 4.625 HB :: 1.461 HG11 :: 0.368 HG12 :: 0.368 HG13 :: 0.368 HG21 :: -0.460(S) HG22 :: -0.460(S) HG23 :: -0.460(S) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.532 Ave N Shift Values>> N :: 121.02(4.96) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.27 R 0.25 M 0.05 G 0.04 C Shift Assignments>> C :: 176.804 CA :: 53.853 CB :: 34.645 CG :: 24.878 CD :: 30.244 CE :: 42.763 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 :: 8.586 HA :: 5.172 HB2 :: 1.650 HB3 :: 1.901 HG2 :: 1.180 HG3 :: 1.426 HD2 :: 1.650 HD3 :: 1.650 HE2 :: 2.969 HE3 :: 2.969 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.620 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 C 0.2 G 0.07 R 0.01 A 0.01 C Shift Assignments>> C :: 173.816 CA :: 53.709 CB :: 43.008 CG :: 25.910 CD1 :: 24.190 CD2 :: 24.559 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 :: 7.988 HA :: 4.394 HB2 :: 0.725 HB3 :: 1.436 HG :: 1.216 HD11 :: 0.069 HD12 :: 0.069 HD13 :: 0.069 HD21 :: 0.022 HD22 :: 0.022 HD23 :: 0.022 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.706 Ave N Shift Values>> N :: 121.98(4.07) 1.Y64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 C Shift Assignments>> C :: 176.169 CA :: 59.481 CB :: 41.533 CD1 :: 132.180 CD2 :: 132.180 CE1 :: 117.912 CE2 :: 117.912 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 :: 8.745 HA :: 4.486 HB2 :: 2.531 HB3 :: 2.162 HD1 :: 6.364 HD2 :: 6.364 HE1 :: 6.269 HE2 :: 6.269 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.631 Ave N Shift Values>> N :: 120.79(4.69) 1.S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 T 0.07 C Shift Assignments>> C :: 171.600 CA :: 57.276 CB :: 66.132 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.483 HA :: 4.981 HB2 :: 3.782 HB3 :: 3.464 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 :: 112.567 Ave N Shift Values>> N :: 116.3(3.95) 1.M66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 A 0.25 M 0.15 I 0.04 C Shift Assignments>> C :: 173.410 CA :: 54.566 CB :: 38.089 CG :: 31.447 CE :: 16.319 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 :: 9.178 HA :: 5.038 HB2 :: 1.883 HB3 :: 1.824 HG2 :: 1.961 HG3 :: 2.174 HE1 :: 1.387 HE2 :: 1.387 HE3 :: 1.387 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.186 Ave N Shift Values>> N :: 120.1(3.88) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 C 0.34 K 0.24 M 0.03 G 0.02 C Shift Assignments>> C :: 174.246 CA :: 55.463 CB :: 34.509 CG :: 25.877 CD :: 30.340 CE :: 42.639 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 :: 8.409 HA :: 4.730 HB2 :: 1.411 HB3 :: 1.653 HG2 :: 1.195 HG3 :: 1.620 HD2 :: 1.774 HD3 :: 1.635 HE2 :: 2.789 HE3 :: 2.898 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 :: 122.052 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 C 0.34 C Shift Assignments>> C :: 172.038 CA :: 59.032 CB :: 41.075 CD1 :: 131.688 CD2 :: 131.688 CE1 :: 129.720 CE2 :: 129.720 CZ :: 128.244 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 :: 9.595 HA :: 4.771 HB2 :: 3.251 HB3 :: 2.432 HD1 :: 7.043 HD2 :: 7.043 HE1 :: 6.473 HE2 :: 6.473 HZ :: 6.568 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 :: 130.524 Ave N Shift Values>> N :: 120.69(4.18) 1.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.3 Q 0.17 E 0.07 K 0.03 C Shift Assignments>> C :: 177.150 CA :: 54.261 CB :: 31.921 CG :: 33.784 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 :: 8.533 HA :: 4.784 HB2 :: 1.959 HB3 :: 1.959 HG2 :: 2.386 HG3 :: 2.452 HE21 :: 6.301 HE22 :: 7.204 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 :: 119.408 NE2 :: 108.135 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 169.123 CA :: 45.378 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.653 HA2 :: 4.032 HA3 :: 4.390 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.349 Ave N Shift Values>> N :: 109.91(4.29) 1.P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.56 C 0.41 G 0.02 C Shift Assignments>> C :: 175.840 CA :: 62.336 CB :: 33.292 CG :: 27.265 CD :: 48.717 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 :: 4.559 HB2 :: 1.869 HB3 :: 2.122 HG2 :: 1.507 HG3 :: 1.688 HD2 :: 3.369 HD3 :: 2.906 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.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.23 C 0.12 L 0.11 F 0.08 Y 0.08 K 0.03 C Shift Assignments>> C :: 176.396 CA :: 53.730 CB :: 40.180 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 :: 8.063 HA :: 4.519 HB2 :: 3.070 HB3 :: 2.667 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 :: 117.464 Ave N Shift Values>> N :: 120.73(4.2) 1.N73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.17 C 0.16 Y 0.07 F 0.06 L 0.03 E 0.01 C Shift Assignments>> C :: 175.385 CA :: 53.057 CB :: 38.630 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 :: 7.367 HA :: 4.588 HB2 :: 2.758 HB3 :: 3.181 HD21 :: 7.280 HD22 :: 7.708 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 :: 117.690 ND2 :: 111.789 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.19 R 0.14 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.972 CA :: 44.608 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.829 HA2 :: 4.568 HA3 :: 3.432 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.155 Ave N Shift Values>> N :: 109.91(4.29) 1.Q75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.36 M 0.16 I 0.03 K 0.03 Q 0.02 C Shift Assignments>> C :: 175.633 CA :: 56.789 CB :: 31.201 CG :: 36.420 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 :: 7.778 HA :: 4.207 HB2 :: 2.209 HB3 :: 1.991 HG2 :: 1.839 HG3 :: 2.262 HE21 :: 5.676 HE22 :: 6.891 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 :: 114.510 NE2 :: 111.323 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.31 L 0.24 R 0.24 C 0.1 F 0.02 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 170.480 CA :: 44.193 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.074 HA2 :: 3.592 HA3 :: 4.621 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.116 Ave N Shift Values>> N :: 109.91(4.29) 1.P77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.55 C 0.37 G 0.07 C Shift Assignments>> C :: 173.949 CA :: 63.354 CB :: 32.923 CG :: 27.347 CD :: 48.174 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 :: 4.102 HB2 :: 1.806 HB3 :: 1.806 HG2 :: 2.115 HG3 :: 1.573 HD2 :: 3.808 HD3 :: 3.285 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.K78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.39 R 0.29 K 0.27 M 0.03 C Shift Assignments>> C :: 172.683 CA :: 57.809 CB :: 34.768 CG :: 25.600 CD :: 30.463 CE :: 42.148 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 :: 8.239 HA :: 4.529 HB2 :: 1.646 HB3 :: 0.723(S) HG2 :: 1.469 HG3 :: 1.053 HD2 :: 1.530 HD3 :: 1.607 HE2 :: 2.897 HE3 :: 2.897 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 :: 119.797 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 174.690 CA :: 58.013 CB :: 39.442 CD1 :: 132.918 CD2 :: 132.918 CE1 :: 117.421 CE2 :: 117.421 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 :: 7.639 HA :: 5.208 HB2 :: 3.109 HB3 :: 2.729 HD1 :: 6.931 HD2 :: 6.931 HE1 :: 6.631 HE2 :: 6.631 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 :: 121.896 Ave N Shift Values>> N :: 120.79(4.69) 1.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 V 0.25 A 0.01 I 0.01 C Shift Assignments>> C :: 174.120 CA :: 58.629 CB :: 35.752 CG1 :: 21.976 CG2 :: 20.410 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 :: 8.533 HA :: 5.254 HB :: 1.612 HG11 :: 0.546 HG12 :: 0.546 HG13 :: 0.546 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 :: 123.063 Ave N Shift Values>> N :: 121.02(4.96) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.39 K 0.17 G 0.01 M 0.01 C Shift Assignments>> C :: 174.019 CA :: 55.341 CB :: 36.367 CG :: 25.789 CD :: 30.038 CE :: 42.394 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 :: 9.012 HA :: 4.548 HB2 :: 1.985 HB3 :: 1.444 HG2 :: 1.253 HG3 :: 1.716 HD2 :: 1.925 HD3 :: 2.338 HE2 :: 3.170 HE3 :: 3.170 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 :: 120.963 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 174.109 CA :: 60.868 CB :: 39.828 CG1 :: 27.664 CG2 :: 18.656 CD1 :: 13.859 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 :: 8.650 HA :: 4.758 HB :: 1.866 HG12 :: 1.360 HG13 :: 0.750 HG21 :: 0.909 HG22 :: 0.909 HG23 :: 0.909 HD11 :: 0.595 HD12 :: 0.595 HD13 :: 0.595 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 :: 121.119 Ave N Shift Values>> N :: 121.6(4.72) 1.F83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 F 0.47 G 0.02 C Shift Assignments>> C :: 175.471 CA :: 55.800 CB :: 42.176 CD1 :: 133.287 CD2 :: 133.287 CE1 :: 131.196 CE2 :: 131.196 CZ :: 129.474 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 :: 9.777 HA :: 5.185 HB2 :: 3.208 HB3 :: 2.845 HD1 :: 7.340 HD2 :: 7.340 HE1 :: 6.946 HE2 :: 6.946 HZ :: 7.436 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 127.261 Ave N Shift Values>> N :: 120.69(4.18) 1.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 I 0.25 G 0.08 A 0.01 C Shift Assignments>> C :: 174.820 CA :: 59.542 CB :: 42.560 CG1 :: 24.436 CG2 :: 19.398 CD1 :: 14.705 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 :: 8.207 HA :: 5.436 HB :: 2.034 HG12 :: 1.474 HG13 :: 1.281 HG21 :: 1.143 HG22 :: 1.143 HG23 :: 1.143 HD11 :: 0.898 HD12 :: 0.898 HD13 :: 0.898 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 112.256 Ave N Shift Values>> N :: 121.6(4.72) 1.N85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 C 0.27 E 0.07 Y 0.06 M 0.05 D 0.03 F 0.03 K 0.01 C Shift Assignments>> C :: 175.605 CA :: 52.996 CB :: 36.859 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 :: 8.819 HA :: 4.465 HB2 :: 2.964 HB3 :: 3.099 HD21 :: 7.856 HD22 :: 7.456 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 :: 116.842 ND2 :: 112.256 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.35 A 0.17 R 0.02 C Shift Assignments>> C :: 178.100 CA :: 53.755 CB :: 40.795 CG :: 26.736 CD1 :: 22.345 CD2 :: 26.158 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 :: 8.086 HA :: 4.391 HB2 :: 1.721 HB3 :: 1.380 HG :: 1.505 HD11 :: 0.875 HD12 :: 0.875 HD13 :: 0.875 HD21 :: 0.746 HD22 :: 0.746 HD23 :: 0.746 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.864 Ave N Shift Values>> N :: 121.98(4.07) 1.P87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 175.474 CA :: 63.720 CB :: 31.848 CG :: 27.019 CD :: 50.511 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 :: 4.454 HB2 :: 2.213 HB3 :: 2.006 HG2 :: 1.899 HG3 :: 2.131 HD2 :: 3.894 HD3 :: 3.807 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.R88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 R 0.33 K 0.23 G 0.07 C Shift Assignments>> C :: 174.785 CA :: 53.955 CB :: 32.066 CG :: 25.747 CD :: 43.137 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 :: 7.122 HA :: 4.478 HB2 :: 1.870 HB3 :: 1.658 HG2 :: 1.396 HG3 :: 1.338 HD2 :: 3.095 HD3 :: 3.095 HE :: 7.215 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 :: 115.055 NE :: 84.424 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.S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.874 CA :: 59.114 CB :: 63.057 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.330 HA :: 4.183 HB2 :: 3.754 HB3 :: 3.644 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 :: 116.220 Ave N Shift Values>> N :: 116.3(3.95) 1.M90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 M 0.36 A 0.19 I 0.01 HN Overlap>> 1.A95 1.A95 C Shift Assignments>> C :: 174.700 CA :: 55.137 CB :: 36.244 CG :: 32.187 CE :: 16.934 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.155 HA :: 4.320 HB2 :: 1.626 HB3 :: 1.567 HG2 :: 2.013 HG3 :: 2.125 HE1 :: 2.032 HE2 :: 2.032 HE3 :: 2.032 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 :: 124.384 Ave N Shift Values>> N :: 120.1(3.88) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.19 N 0.13 C 0.13 K 0.07 R 0.05 F 0.03 Y 0.02 G 0.01 C Shift Assignments>> C :: 176.177 CA :: 51.495 CB :: 41.889 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 :: 7.501 HA :: 4.414 HB2 :: 3.053 HB3 :: 2.535 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.264 Ave N Shift Values>> N :: 120.73(4.2) 1.F92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.68 C 0.31 C Shift Assignments>> C :: 177.871 CA :: 62.934 CB :: 38.335 CD1 :: 131.688 CD2 :: 131.688 CE1 :: 130.242 CE2 :: 130.242 CZ :: 131.319 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 :: 7.832 HA :: 3.637 HB2 :: 3.212 HB3 :: 2.886 HD1 :: 7.377 HD2 :: 7.377 HE1 :: 7.548 HE2 :: 7.548 HZ :: 7.268 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 :: 116.072 Ave N Shift Values>> N :: 120.69(4.18) 1.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 I 0.28 K 0.05 Q 0.01 M 0.01 C Shift Assignments>> C :: 179.297 CA :: 59.736 CB :: 29.110 CG :: 36.604 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 :: 8.148 HA :: 4.011 HB2 :: 2.060 HB3 :: 1.998 HG2 :: 2.199 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 :: 120.264 Ave N Shift Values>> N :: 120.68(3.68) 1.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.33 I 0.14 K 0.07 M 0.05 Q 0.03 C Shift Assignments>> C :: 179.540 CA :: 58.870 CB :: 29.971 CG :: 36.236 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 :: 8.251 HA :: 3.806 HB2 :: 2.002 HB3 :: 1.724 HG2 :: 1.991 HG3 :: 2.197 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 :: 120.497 Ave N Shift Values>> N :: 120.68(3.68) 1.A95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.6 A 0.32 I 0.04 C 0.02 HN Overlap>> 1.M90 1.M90 C Shift Assignments>> C :: 179.182 CA :: 55.016 CB :: 17.426 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.121 HA :: 3.681 HB1 :: 0.488(S) HB2 :: 0.488(S) HB3 :: 0.488(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.277 Ave N Shift Values>> N :: 123.23(3.7) 1.E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.33 I 0.21 K 0.06 M 0.02 Q 0.02 HN Overlap>> 1.D46 1.D46 C Shift Assignments>> C :: 177.704 CA :: 59.644 CB :: 29.670 CG :: 36.328 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 :: 7.671 HA :: 4.072 HB2 :: 2.267 HB3 :: 2.176 HG2 :: 2.512 HG3 :: 2.432 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 :: 117.154 Ave N Shift Values>> N :: 120.68(3.68) 1.R97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.37 K 0.13 G 0.07 HN Overlap>> 1.N34 1.N34 C Shift Assignments>> C :: 177.701 CA :: 56.973 CB :: 31.346 CG :: 27.148 CD :: 43.377 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 :: 7.369 HA :: 4.399 HB2 :: 1.830 HB3 :: 1.899 HG2 :: 1.635 HG3 :: 1.795 HD2 :: 3.153 HD3 :: 3.153 HE :: 8.375 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 :: 114.601 NE :: 81.625 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.S98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> 1.Q102 1.Q102 C Shift Assignments>> C :: 173.383 CA :: 59.982 CB :: 64.656 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.616 HA :: 4.518 HB2 :: 3.864 HB3 :: 3.745 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.565 Ave N Shift Values>> N :: 116.3(3.95) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.24 M 0.16 Q 0.13 K 0.11 C Shift Assignments>> C :: 174.803 CA :: 53.796 CB :: 30.217 CG :: 35.383 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 :: 8.931 HA :: 4.650 HB2 :: 2.044 HB3 :: 2.044 HG2 :: 2.342 HG3 :: 2.342 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 :: 126.872 Ave N Shift Values>> N :: 120.68(3.68) 1.P100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.66 C 0.32 C Shift Assignments>> C :: 175.880 CA :: 61.969 CB :: 31.201 CG :: 26.281 CD :: 49.527 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 :: 4.378 HB2 :: 1.702 HB3 :: 0.746(S) HG2 :: 1.744 HG3 :: 1.598 HD2 :: 3.736 HD3 :: 3.970 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.T101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 175.147 CA :: 67.536 CB :: 68.532 CG2 :: 23.998 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 :: 8.631 HA :: 3.898 HB :: 3.703 HG21 :: 0.636 HG22 :: 0.636 HG23 :: 0.636 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.875 Ave N Shift Values>> N :: 115.7(5.05) 1.Q102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.31 C 0.31 Q 0.19 E 0.09 K 0.06 HN Overlap>> 1.S98 1.S98 C Shift Assignments>> C :: 172.145 CA :: 56.728 CB :: 31.778 CG :: 33.538 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 :: 7.611 HA :: 4.250 HB2 :: 1.614 HB3 :: 1.614 HG2 :: 2.542 HG3 :: 2.171 HE21 :: 6.693 HE22 :: 7.418 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 :: 115.598 NE2 :: 107.202 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 L 0.1 M 0.1 C 0.09 C Shift Assignments>> C :: 175.838 CA :: 50.570 CB :: 21.571 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.832 HA :: 5.089 HB1 :: 1.334 HB2 :: 1.334 HB3 :: 1.334 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.439 Ave N Shift Values>> N :: 123.23(3.7) 1.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 C 0.23 L 0.22 R 0.02 HN Overlap>> 1.E142 1.E142 C Shift Assignments>> C :: 173.290 CA :: 54.301 CB :: 45.579 CG :: 27.265 CD1 :: 25.174 CD2 :: 26.527 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 :: 8.956 HA :: 4.606 HB2 :: 1.372 HB3 :: 1.372 HG :: 1.317 HD11 :: 0.703 HD12 :: 0.703 HD13 :: 0.703 HD21 :: 0.580 HD22 :: 0.580 HD23 :: 0.580 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 :: 122.052 Ave N Shift Values>> N :: 121.98(4.07) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.36 M 0.09 I 0.03 K 0.02 C Shift Assignments>> C :: 175.256 CA :: 54.913 CB :: 30.586 CG :: 37.432 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 :: 8.482 HA :: 4.579 HB2 :: 2.068 HB3 :: 1.901 HG2 :: 1.990 HG3 :: 1.990 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 :: 122.363 Ave N Shift Values>> N :: 120.68(3.68) 1.L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.3 R 0.06 K 0.01 C Shift Assignments>> C :: 178.432 CA :: 54.852 CB :: 41.287 CG :: 26.896 CD1 :: 26.773 CD2 :: 24.436 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 :: 8.842 HA :: 4.625 HB2 :: 1.414 HB3 :: 1.963 HG :: 1.731 HD11 :: 0.822 HD12 :: 0.822 HD13 :: 0.822 HD21 :: 0.811 HD22 :: 0.811 HD23 :: 0.811 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 :: 128.039 Ave N Shift Values>> N :: 121.98(4.07) 1.T107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 175.504 CA :: 60.134 CB :: 71.934 CG2 :: 21.514 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 :: 9.721 HA :: 4.682 HB :: 4.773 HG21 :: 1.399 HG22 :: 1.399 HG23 :: 1.399 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 :: 116.448 Ave N Shift Values>> N :: 115.7(5.05) 1.E108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.21 K 0.07 Q 0.02 M 0.01 C Shift Assignments>> C :: 178.448 CA :: 59.400 CB :: 29.238 CG :: 36.328 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 :: 8.862 HA :: 3.846 HB2 :: 1.976 HB3 :: 1.976 HG2 :: 2.281 HG3 :: 2.225 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 :: 116.376 Ave N Shift Values>> N :: 120.68(3.68) 1.D109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 L 0.16 F 0.16 Y 0.13 C 0.12 D 0.12 R 0.04 I 0.02 N 0.02 C Shift Assignments>> C :: 178.284 CA :: 56.687 CB :: 41.170 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 :: 7.682 HA :: 4.442 HB2 :: 2.622 HB3 :: 2.430 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.D110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.26 L 0.19 K 0.16 C 0.12 F 0.1 Y 0.07 D 0.04 G 0.01 I 0.01 C Shift Assignments>> C :: 176.105 CA :: 57.544 CB :: 42.763 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 :: 7.646 HA :: 4.342 HB2 :: 2.547 HB3 :: 2.987 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.041 Ave N Shift Values>> N :: 120.73(4.2) 1.I111 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 175.685 CA :: 61.052 CB :: 39.319 CG1 :: 26.116 CG2 :: 17.795 CD1 :: 16.177 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 :: 6.626 HA :: 4.974 HB :: 2.204 HG12 :: 1.331 HG13 :: 1.280 HG21 :: 1.214 HG22 :: 1.214 HG23 :: 1.214 HD11 :: 0.858 HD12 :: 0.858 HD13 :: 0.858 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 :: 105.083(S) Ave N Shift Values>> N :: 121.6(4.72) 1.K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.3 R 0.28 M 0.02 G 0.01 C Shift Assignments>> C :: 177.593 CA :: 56.292 CB :: 34.749 CG :: 25.420 CD :: 29.971 CE :: 42.394 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 :: 6.656 HA :: 4.527 HB2 :: 2.102 HB3 :: 1.812 HG2 :: 1.550 HG3 :: 2.019 HD2 :: 1.800 HD3 :: 1.800 HE2 :: 3.044 HE3 :: 3.008 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 :: 118.864 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>> E 0.34 C 0.33 I 0.17 K 0.08 Q 0.03 M 0.02 C Shift Assignments>> C :: 177.093 CA :: 59.121 CB :: 29.526 CG :: 36.244 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 :: 8.602 HA :: 3.924 HB2 :: 1.906 HB3 :: 1.968 HG2 :: 2.223 HG3 :: 2.223 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 :: 118.553 Ave N Shift Values>> N :: 120.68(3.68) 1.D114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.27 C 0.12 L 0.1 F 0.07 Y 0.07 K 0.02 C Shift Assignments>> C :: 176.554 CA :: 53.465 CB :: 40.020 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 :: 8.140 HA :: 4.641 HB2 :: 2.784 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 :: 115.958 Ave N Shift Values>> N :: 120.73(4.2) 1.G115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 174.924 CA :: 46.246 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.264 HA2 :: 4.076 HA3 :: 3.975 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.856 Ave N Shift Values>> N :: 109.91(4.29) 1.I116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 173.570 CA :: 60.966 CB :: 41.075 CG1 :: 28.495 CG2 :: 16.545 CD1 :: 13.969 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 :: 8.481 HA :: 4.487 HB :: 1.720 HG12 :: 1.402 HG13 :: 0.883 HG21 :: 0.841 HG22 :: 0.841 HG23 :: 0.841 HD11 :: 0.816 HD12 :: 0.816 HD13 :: 0.816 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 :: 125.161 Ave N Shift Values>> N :: 121.6(4.72) 1.V117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.41 A 0.01 C Shift Assignments>> C :: 173.528 CA :: 58.659 CB :: 33.661 CG1 :: 21.484 CG2 :: 20.234 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 :: 9.016 HA :: 4.676 HB :: 2.001 HG11 :: 0.802 HG12 :: 0.802 HG13 :: 0.802 HG21 :: 0.858 HG22 :: 0.858 HG23 :: 0.858 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 :: 127.494 Ave N Shift Values>> N :: 121.02(4.96) 1.P118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 176.369 CA :: 62.743 CB :: 32.554 CG :: 27.219 CD :: 51.233 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 :: 4.443 HB2 :: 2.333 HB3 :: 1.894 HG2 :: 2.148 HG3 :: 1.986 HD2 :: 3.820 HD3 :: 3.935 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.L119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 A 0.26 G 0.22 C 0.15 R 0.04 C Shift Assignments>> C :: 178.091 CA :: 52.548 CB :: 43.870 CG :: 27.252 CD1 :: 25.378 CD2 :: 21.484 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 :: 7.866 HA :: 4.685 HB2 :: 1.075 HB3 :: 1.037 HG :: 1.247 HD11 :: 0.076 HD12 :: 0.076 HD13 :: 0.076 HD21 :: 0.453 HD22 :: 0.453 HD23 :: 0.453 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 :: 120.574 Ave N Shift Values>> N :: 121.98(4.07) 1.R120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 C 0.27 R 0.18 G 0.11 K 0.05 C Shift Assignments>> C :: 176.010 CA :: 55.096 CB :: 27.142 CG :: 27.265 CD :: 43.501 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 :: 9.195 HA :: 4.489 HB2 :: 1.606 HB3 :: 1.606 HG2 :: 1.645 HG3 :: 1.813 HD2 :: 3.159 HD3 :: 3.159 HE :: 8.194 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.974 NE :: 81.858 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.Y121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> C :: 178.092 CA :: 60.474 CB :: 39.685 CD1 :: 133.779 CD2 :: 133.779 CE1 :: 118.527 CE2 :: 118.527 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 :: 7.702 HA :: 4.428 HB2 :: 2.850 HB3 :: 2.908 HD1 :: 7.192 HD2 :: 7.192 HE1 :: 6.892 HE2 :: 6.892 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 125.628 Ave N Shift Values>> N :: 120.79(4.69) 1.V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 176.972 CA :: 64.783 CB :: 31.155 CG1 :: 20.255 CG2 :: 20.869 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 :: 7.948 HA :: 3.830 HB :: 2.033 HG11 :: 0.836 HG12 :: 0.836 HG13 :: 0.836 HG21 :: 0.799 HG22 :: 0.799 HG23 :: 0.799 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 :: 120.652 Ave N Shift Values>> N :: 121.02(4.96) 1.K123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.34 R 0.25 M 0.01 C Shift Assignments>> C :: 176.302 CA :: 56.117 CB :: 32.161 CG :: 25.394 CD :: 28.618 CE :: 42.025 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 :: 8.264 HA :: 4.117 HB2 :: 1.332 HB3 :: 1.332 HG2 :: 1.338 HG3 :: 1.197 HD2 :: 1.544 HD3 :: 1.544 HE2 :: 2.992 HE3 :: 2.897 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.620 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 C 0.44 C Shift Assignments>> C :: 174.472 CA :: 55.933 CB :: 40.260 CD1 :: 132.918 CD2 :: 132.918 CE1 :: 131.073 CE2 :: 131.073 CZ :: 128.367 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 :: 7.670 HA :: 4.594 HB2 :: 3.146 HB3 :: 2.975 HD1 :: 7.000 HD2 :: 7.000 HE1 :: 7.240 HE2 :: 7.240 HZ :: 6.836 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 :: 118.087 Ave N Shift Values>> N :: 120.69(4.18) 1.Q125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.22 E 0.19 M 0.15 K 0.14 R 0.01 HN Overlap>> 1.C35 1.C35 C Shift Assignments>> C :: 175.141 CA :: 56.463 CB :: 30.340 CG :: 34.488 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 :: 7.619 HA :: 4.090 HB2 :: 2.157 HB3 :: 1.947 HG2 :: 2.340 HG3 :: 2.299 HE21 :: 6.031 HE22 :: 7.187 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 :: 114.665 NE2 :: 113.422 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.2 C 0.16 Y 0.1 F 0.08 L 0.04 E 0.01 HN Overlap>> 1.F57 1.F57 C Shift Assignments>> C :: 173.026 CA :: 53.730 CB :: 38.950 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 :: 8.243 HA :: 4.434 HB2 :: 2.767 HB3 :: 2.340 HD21 :: 7.332 HD22 :: 6.562 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 :: 118.553 ND2 :: 110.468 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 C Shift Assignments>> C :: 174.454 CA :: 63.600 CB :: 33.046 CG1 :: 22.960 CG2 :: 22.099 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 :: 9.027 HA :: 4.153 HB :: 1.937 HG11 :: 0.822 HG12 :: 0.822 HG13 :: 0.822 HG21 :: 0.972 HG22 :: 0.972 HG23 :: 0.972 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 :: 124.695 Ave N Shift Values>> N :: 121.02(4.96) 1.N128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.2 K 0.15 C 0.11 F 0.09 Y 0.08 N 0.06 R 0.04 C Shift Assignments>> C :: 175.488 CA :: 54.892 CB :: 41.266 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 :: 10.174 HA :: 4.996 HB2 :: 2.784 HB3 :: 2.678 HD21 :: 7.352 HD22 :: 6.870 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 124.384 ND2 :: 112.645 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S129 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 :: 172.032 CA :: 57.276 CB :: 65.271 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.348 HA :: 5.287 HB2 :: 3.957 HB3 :: 3.839 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.043 Ave N Shift Values>> N :: 116.3(3.95) 1.V130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 V 0.35 C Shift Assignments>> C :: 172.903 CA :: 60.105 CB :: 35.851 CG1 :: 22.468 CG2 :: 21.976 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 :: 9.258 HA :: 5.176 HB :: 1.910 HG11 :: 0.887 HG12 :: 0.887 HG13 :: 0.887 HG21 :: 1.030 HG22 :: 1.030 HG23 :: 1.030 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 :: 120.419 Ave N Shift Values>> N :: 121.02(4.96) 1.T131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 HN Overlap>> 1.T54 1.T54 C Shift Assignments>> C :: 173.047 CA :: 61.826 CB :: 71.789 CG2 :: 21.974 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 :: 9.454 HA :: 5.628 HB :: 3.768 HG21 :: 1.028 HG22 :: 1.028 HG23 :: 1.028 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 :: 125.317 Ave N Shift Values>> N :: 115.7(5.05) 1.I132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.41 C Shift Assignments>> C :: 174.368 CA :: 59.930 CB :: 40.978 CG1 :: 28.372 CG2 :: 18.164 CD1 :: 15.089 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 :: 10.198 HA :: 4.775 HB :: 1.724 HG12 :: 0.893 HG13 :: 1.530 HG21 :: 0.460 HG22 :: 0.460 HG23 :: 0.460 HD11 :: 0.595 HD12 :: 0.595 HD13 :: 0.595 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 :: 127.728 Ave N Shift Values>> N :: 121.6(4.72) 1.F133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.66 C 0.33 C Shift Assignments>> C :: 174.290 CA :: 52.971 CB :: 41.164 CD1 :: 130.704 CD2 :: 130.704 CE1 :: 131.688 CE2 :: 131.688 CZ :: 129.228 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 :: 9.707 HA :: 5.859 HB2 :: 3.081 HB3 :: 3.389 HD1 :: 7.303 HD2 :: 7.303 HE1 :: 7.377 HE2 :: 7.377 HZ :: 6.765 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 :: 128.350 Ave N Shift Values>> N :: 120.69(4.18) 1.V134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 172.565 CA :: 61.990 CB :: 31.346 CG1 :: 21.730 CG2 :: 22.099 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 :: 9.192 HA :: 4.174 HB :: 2.307 HG11 :: 1.065 HG12 :: 1.065 HG13 :: 1.065 HG21 :: 1.035 HG22 :: 1.035 HG23 :: 1.035 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 :: 129.048 Ave N Shift Values>> N :: 121.02(4.96) 1.Q135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 M 0.2 Q 0.2 E 0.19 K 0.1 C Shift Assignments>> C :: 175.581 CA :: 56.361 CB :: 30.832 CG :: 34.488 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 :: 8.371 HA :: 3.618 HB2 :: 1.968 HB3 :: 1.238 HG2 :: 2.189 HG3 :: 2.264 HE21 :: 7.750 HE22 :: 6.520 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 :: 125.939 NE2 :: 110.079 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.78 T 0.2 C Shift Assignments>> C :: 172.745 CA :: 55.749 CB :: 66.855 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.738 HA :: 4.758 HB2 :: 4.092 HB3 :: 3.882 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 108.837 Ave N Shift Values>> N :: 116.3(3.95) 1.N137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.2 L 0.15 C 0.13 K 0.05 F 0.03 Y 0.02 R 0.02 C Shift Assignments>> C :: 175.989 CA :: 51.365 CB :: 41.410 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 :: 8.830 HA :: 5.102 HB2 :: 3.098 HB3 :: 2.813 HD21 :: 6.633 HD22 :: 7.281 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.754 ND2 :: 114.744 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.27 R 0.2 Q 0.13 M 0.05 E 0.01 P 0.01 C Shift Assignments>> C :: 178.215 CA :: 58.787 CB :: 28.495 CG :: 32.185 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 :: 8.307 HA :: 3.648 HB2 :: 2.262 HB3 :: 1.486 HG2 :: 2.493 HG3 :: 1.991 HE21 :: 6.657 HE22 :: 7.388 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 :: 114.588 NE2 :: 111.323 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.18 R 0.13 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.957 CA :: 44.655 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.371 HA2 :: 4.572 HA3 :: 3.486 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.880 Ave N Shift Values>> N :: 109.91(4.29) 1.E140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.22 I 0.21 K 0.05 L 0.01 C Shift Assignments>> C :: 177.338 CA :: 57.399 CB :: 27.265 CG :: 37.064 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 :: 7.878 HA :: 3.981 HB2 :: 2.201 HB3 :: 2.046 HG2 :: 2.224 HG3 :: 2.161 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 :: 120.341 Ave N Shift Values>> N :: 120.68(3.68) 1.E141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 M 0.29 E 0.24 Q 0.06 K 0.02 C Shift Assignments>> C :: 179.038 CA :: 54.852 CB :: 31.816 CG :: 35.629 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 :: 8.568 HA :: 4.290 HB2 :: 2.221 HB3 :: 1.409 HG2 :: 1.838 HG3 :: 1.838 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 :: 118.760 Ave N Shift Values>> N :: 120.68(3.68) 1.E142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.33 I 0.23 M 0.03 K 0.02 HN Overlap>> 1.L104 1.L104 C Shift Assignments>> C :: 176.156 CA :: 59.767 CB :: 30.340 CG :: 36.880 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 :: 8.980 HA :: 3.901 HB2 :: 2.044 HB3 :: 2.044 HG2 :: 2.252 HG3 :: 2.375 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 :: 121.974 Ave N Shift Values>> N :: 120.68(3.68) 1.T143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 T 0.37 C Shift Assignments>> C :: 173.113 CA :: 58.849 CB :: 72.158 CG2 :: 23.206 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 :: 7.151 HA :: 4.180 HB :: 4.378 HG21 :: 0.922 HG22 :: 0.922 HG23 :: 0.922 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 :: 101.883 Ave N Shift Values>> N :: 115.7(5.05) 1.T144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 173.726 CA :: 60.787 CB :: 70.436 CG2 :: 22.714 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 :: 8.533 HA :: 4.983 HB :: 3.523 HG21 :: 1.107 HG22 :: 1.107 HG23 :: 1.107 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.797 Ave N Shift Values>> N :: 115.7(5.05) 1.R145 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.49 K 0.32 R 0.1 G 0.06 C Shift Assignments>> C :: 173.763 CA :: 54.281 CB :: 34.768 CG :: 28.126 CD :: 42.886 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 :: 8.594 HA :: 5.615 HB2 :: 0.860(S) HB3 :: 0.827(S) HG2 :: 0.992 HG3 :: 1.273 HD2 :: 2.018(S) HD3 :: 0.755(A) HE :: 6.432 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.673 NE :: 86.756 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HD3 > HB2 : 0.9950) (HD3 > HB3 : 0.9958) (HD3 > HG2 : 0.9974) (HD3 > HG3 : 0.9982) 1.I146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.44 A 0.01 C Shift Assignments>> C :: 176.189 CA :: 58.258 CB :: 40.020 CG1 :: 26.896 CG2 :: 16.729 CD1 :: 13.367 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 :: 8.906 HA :: 4.571 HB :: 1.763 HG12 :: 0.824 HG13 :: 1.076 HG21 :: 0.391 HG22 :: 0.391 HG23 :: 0.391 HD11 :: 0.443 HD12 :: 0.443 HD13 :: 0.443 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 :: 119.097 Ave N Shift Values>> N :: 121.6(4.72) 1.S147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.136 CA :: 59.237 CB :: 64.172 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.523 HA :: 4.758 HB2 :: 4.053 HB3 :: 3.602 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 :: 122.985 Ave N Shift Values>> N :: 116.3(3.95) 1.Y148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 171.858 CA :: 57.258 CB :: 40.163 CD1 :: 132.180 CD2 :: 132.180 CE1 :: 117.666 CE2 :: 117.666 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 :: 7.117 HA :: 5.450 HB2 :: 3.357 HB3 :: 2.333 HD1 :: 6.725 HD2 :: 6.725 HE1 :: 6.453 HE2 :: 6.453 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 :: 120.264 Ave N Shift Values>> N :: 120.79(4.69) 1.F149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.67 C 0.28 G 0.03 C Shift Assignments>> C :: 172.032 CA :: 53.217 CB :: 42.148 CD1 :: 131.319 CD2 :: 131.319 CE1 :: 130.089 CE2 :: 130.089 CZ :: 128.121 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 :: 7.671 HA :: 5.147 HB2 :: 3.025 HB3 :: 2.567 HD1 :: 7.107 HD2 :: 7.107 HE1 :: 6.766 HE2 :: 6.766 HZ :: 6.985 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 129.204 Ave N Shift Values>> N :: 120.69(4.18) 1.T150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.61 C 0.31 S 0.03 A 0.03 C Shift Assignments>> C :: 172.502 CA :: 59.736 CB :: 68.715 CG2 :: 18.287 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 :: 7.976 HA :: 3.601 HB :: 3.834 HG21 :: 0.814 HG22 :: 0.814 HG23 :: 0.814 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 :: 113.266 Ave N Shift Values>> N :: 115.7(5.05) 1.F151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 C 0.18 F 0.08 C Shift Assignments>> C :: 172.848 CA :: 57.237 CB :: 45.339 CD1 :: 131.442 CD2 :: 131.442 CE1 :: 128.244 CE2 :: 128.244 CZ :: 128.490 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 :: 5.190 HB2 :: 3.102 HB3 :: 2.609 HD1 :: 7.201 HD2 :: 7.201 HE1 :: 6.677 HE2 :: 6.677 HZ :: 7.110 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 :: 116.765 Ave N Shift Values>> N :: 120.69(4.18) 1.I152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.46 A 0.02 C Shift Assignments>> C :: 176.718 CA :: 58.401 CB :: 38.870 CG1 :: 28.003 CG2 :: 18.532 CD1 :: 12.405 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 :: 8.799 HA :: 4.985 HB :: 1.993 HG12 :: 1.072 HG13 :: 1.289 HG21 :: 0.753 HG22 :: 0.753 HG23 :: 0.753 HD11 :: 0.714 HD12 :: 0.714 HD13 :: 0.714 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 :: 121.663 Ave N Shift Values>> N :: 121.6(4.72) 1.G153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.17 L 0.04 C Shift Assignments>> C :: 171.248 CA :: 46.919 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.203 HA2 :: 5.150 HA3 :: 3.817 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.071 Ave N Shift Values>> N :: 109.91(4.29) 1.T154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.22 A 0.02 C Shift Assignments>> C :: 170.453 CA :: 58.875 CB :: 71.420 CG2 :: 20.750 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 :: 8.748 HA :: 5.082 HB :: 4.225 HG21 :: 1.213 HG22 :: 1.213 HG23 :: 1.213 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 :: 118.242 Ave N Shift Values>> N :: 115.7(5.05) 1.P155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 176.183 CA :: 62.906 CB :: 31.324 CG :: 27.679 CD :: 51.126 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 :: 4.396 HB2 :: 1.771 HB3 :: 1.625 HG2 :: 1.823 HG3 :: 1.306 HD2 :: 3.850 HD3 :: 3.343 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.V156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 176.696 CA :: 65.803 CB :: 32.308 CG1 :: 21.238 CG2 :: 23.537 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 :: 8.223 HA :: 3.502 HB :: 1.705 HG11 :: 0.888 HG12 :: 0.888 HG13 :: 0.888 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 :: 123.550 Ave N Shift Values>> N :: 121.02(4.96) 1.Q157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.24 K 0.23 E 0.1 M 0.09 R 0.04 HN Overlap>> 1.N160 1.D11 1.N160 1.D11 C Shift Assignments>> C :: 174.892 CA :: 55.185 CB :: 29.478 CG :: 33.751 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 :: 8.538 HA :: 4.338 HB2 :: 1.918 HB3 :: 2.020 HG2 :: 2.311 HG3 :: 2.311 HE21 :: 7.526 HE22 :: 6.877 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.034 NE2 :: 112.178 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.21 C 0.02 C Shift Assignments>> C :: 177.929 CA :: 52.609 CB :: 19.224 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.282 HA :: 4.307 HB1 :: 1.374 HB2 :: 1.374 HB3 :: 1.374 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.484 Ave N Shift Values>> N :: 123.23(3.7) 1.T159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.136 CA :: 61.990 CB :: 69.944 CG2 :: 21.607 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 :: 8.204 HA :: 4.302 HB :: 4.185 HG21 :: 1.196 HG22 :: 1.196 HG23 :: 1.196 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 :: 113.655 Ave N Shift Values>> N :: 115.7(5.05) 1.N160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.17 C 0.16 Y 0.08 F 0.07 L 0.03 E 0.01 HN Overlap>> 1.D11 1.Q157 1.D11 1.Q157 C Shift Assignments>> C :: 175.454 CA :: 53.323 CB :: 38.679 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 :: 8.534 HA :: 4.731 HB2 :: 2.778 HB3 :: 2.873 HD21 :: 7.629 HD22 :: 6.907 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 :: 120.963 ND2 :: 112.800 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.M161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.41 A 0.1 C Shift Assignments>> C :: 176.364 CA :: 55.933 CB :: 32.308 CG :: 32.185 CE :: 16.934 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.425 HA :: 4.432 HB2 :: 1.982 HB3 :: 2.105 HG2 :: 2.592 HG3 :: 2.497 HE1 :: 2.035 HE2 :: 2.035 HE3 :: 2.035 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 :: 121.041 Ave N Shift Values>> N :: 120.1(3.88) 1.N162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.19 C 0.16 Y 0.1 F 0.08 L 0.04 E 0.01 C Shift Assignments>> C :: 174.975 CA :: 53.710 CB :: 38.871 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 :: 8.408 HA :: 4.603 HB2 :: 2.686 HB3 :: 2.746 HD21 :: 7.577 HD22 :: 6.904 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 :: 118.871 ND2 :: 113.113 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.18 K 0.11 C 0.11 N 0.1 F 0.09 Y 0.07 R 0.02 HN Overlap>> 1.F164 1.F164 C Shift Assignments>> C :: 175.960 CA :: 54.403 CB :: 41.041 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 :: 8.103 HA :: 4.518 HB2 :: 2.515 HB3 :: 2.587 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.108 Ave N Shift Values>> N :: 120.73(4.2) 1.F164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.25 C 0.2 I 0.11 D 0.04 L 0.03 E 0.02 N 0.01 HN Overlap>> 1.D163 1.D163 C Shift Assignments>> C :: 175.766 CA :: 57.972 CB :: 39.196 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.026 HA :: 4.546 HB2 :: 3.029 HB3 :: 3.138 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 :: 120.159 Ave N Shift Values>> N :: 120.69(4.18) 1.K165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.18 M 0.03 G 0.01 C Shift Assignments>> C :: 176.258 CA :: 56.157 CB :: 33.046 CG :: 24.642 CD :: 28.987 CE :: 42.148 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 :: 8.121 HA :: 4.307 HB2 :: 1.709 HB3 :: 1.797 HG2 :: 1.361 HG3 :: 1.361 HD2 :: 1.640 HD3 :: 1.640 HE2 :: 2.969 HE3 :: 2.969 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 :: 122.752 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.532 CA :: 58.319 CB :: 63.918 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.210 HA :: 4.453 HB2 :: 3.846 HB3 :: 3.846 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.687 Ave N Shift Values>> N :: 116.3(3.95) 1.G167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.17 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.755 CA :: 44.683 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.216 HA2 :: 4.080 HA3 :: 4.139 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.622 Ave N Shift Values>> N :: 109.91(4.29) 1.P168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 177.394 CA :: 63.231 CB :: 32.230 CG :: 27.142 CD :: 49.773 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 :: 4.468 HB2 :: 2.272 HB3 :: 1.963 HG2 :: 1.995 HG3 :: 1.730 HD2 :: 3.608 HD3 :: 3.608 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.S169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.718 CA :: 58.401 CB :: 63.932 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.528 HA :: 4.493 HB2 :: 3.896 HB3 :: 3.896 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 :: 116.402 Ave N Shift Values>> N :: 116.3(3.95) 1.S170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.950 CA :: 58.367 CB :: 63.968 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.324 HA :: 4.493 HB2 :: 3.883 HB3 :: 3.883 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.775 Ave N Shift Values>> N :: 116.3(3.95) 1.G171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 179.014 CA :: 46.236 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.052 HA2 :: 3.777 HA3 :: 3.738 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.842 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 161 #Clerical: 0 #Suspicious: 9 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 171 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 170 #Suspicious: 1 C Shift Results: #Consistent: 751 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1155 #Duplicate: 0 #Unknown: 0 #Suspicious: 16 #Anomalous: 1 N Shift Results: #Consistent: 182 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.N25 HD22 = 9.189(S), Expected = 7.20, Std = 0.5200, ChiSquare = 1.3077e-04 1.K38 HB3 = 0.654(S), Expected = 1.78, Std = 0.2600, ChiSquare = 1.4859e-05 1.K38 HG2 = 0.470(S), Expected = 1.38, Std = 0.2700, ChiSquare = 7.5067e-04 1.E44 HA = 5.997(S), Expected = 4.26, Std = 0.4300, ChiSquare = 5.3557e-05 1.E44 HG3 = 3.453(S), Expected = 2.31, Std = 0.2100, ChiSquare = 5.2433e-08 1.L51 CB = 50.019(S), Expected = 42.37, Std = 1.8600, ChiSquare = 3.9163e-05 1.V61 HG21 = -0.460(S), Expected = 0.83, Std = 0.2900, ChiSquare = 8.6562e-06 1.V61 HG22 = -0.460(S), Expected = 0.83, Std = 0.2900, ChiSquare = 8.6562e-06 1.V61 HG23 = -0.460(S), Expected = 0.83, Std = 0.2900, ChiSquare = 8.6562e-06 1.K78 HB3 = 0.723(S), Expected = 1.78, Std = 0.2600, ChiSquare = 4.7953e-05 1.A95 HB1 = 0.488(S), Expected = 1.38, Std = 0.2500, ChiSquare = 3.5972e-04 1.A95 HB2 = 0.488(S), Expected = 1.38, Std = 0.2500, ChiSquare = 3.5972e-04 1.A95 HB3 = 0.488(S), Expected = 1.38, Std = 0.2500, ChiSquare = 3.5972e-04 1.P100 HB3 = 0.746(S), Expected = 2.05, Std = 0.3900, ChiSquare = 8.2702e-04 1.I111 N = 105.083(S), Expected = 121.60, Std = 4.7200, ChiSquare = 4.6637e-04 1.R145 HB2 = 0.860(S), Expected = 1.79, Std = 0.2800, ChiSquare = 8.9558e-04 1.R145 HB3 = 0.827(S), Expected = 1.78, Std = 0.2800, ChiSquare = 6.6511e-04 1.R145 HD2 = 2.018(S), Expected = 3.13, Std = 0.2300, ChiSquare = 1.3329e-06 1.R145 HD3 = 0.755(A), Expected = 3.13, Std = 0.2200, ChiSquare = 3.6167e-27 1.R145 SRO Rule Break>> HD3 > HB2 : 0.994991652754591 1.R145 SRO Rule Break>> HD3 > HB3 : 0.995794785534062 1.R145 SRO Rule Break>> HD3 > HG2 : 0.997402597402597 1.R145 SRO Rule Break>> HD3 > HG3 : 0.998244844229925