Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.49 I 0.37 A 0.12 C Shift Assignments>> CE :: 16.664 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HE1 :: 2.091 HE2 :: 2.091 HE3 :: 2.091 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) 1.E2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.847 CA :: 63.449 CB :: 31.938 CG :: 27.240 CD :: 50.591 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 :: 4.390 HB2 :: 2.341 HB3 :: 1.977 HG2 :: 2.123 HG3 :: 2.054 HD2 :: 3.895 HD3 :: 3.803 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.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.414 CA :: 59.163 CB :: 63.242 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.531 HA :: 4.262 HB2 :: 3.811 HB3 :: 4.039 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 :: 114.246 Ave N Shift Values>> N :: 116.3(3.95) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.31 M 0.04 G 0.01 C Shift Assignments>> C :: 175.984 CA :: 55.724 CB :: 32.881 CG :: 24.806 CD :: 28.660 CE :: 42.037 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 :: 8.468 HA :: 4.433 HB2 :: 1.763 HB3 :: 2.072 HG2 :: 1.513 HG3 :: 1.433 HD2 :: 1.685 HD3 :: 1.723 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 :: 123.488 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 G 0.13 R 0.06 C Shift Assignments>> C :: 177.820 CA :: 55.507 CB :: 43.374 CG :: 26.400 CD1 :: 24.840 CD2 :: 24.773 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 :: 7.707 HA :: 4.381 HB2 :: 1.811 HB3 :: 1.679 HG :: 1.817 HD11 :: 1.080 HD12 :: 1.080 HD13 :: 1.080 HD21 :: 1.032 HD22 :: 1.032 HD23 :: 1.032 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.233 Ave N Shift Values>> N :: 121.98(4.07) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.120 CA :: 57.962 CB :: 64.197 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.433 HA :: 4.638 HB2 :: 4.154 HB3 :: 4.574 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 :: 122.977 Ave N Shift Values>> N :: 116.3(3.95) 1.Y8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.97 H 0.02 C Shift Assignments>> C :: 177.206 CA :: 58.762 CB :: 36.605 CD1 :: 131.771 CD2 :: 131.771 CE1 :: 116.503 CE2 :: 116.503 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.764 HA :: 4.732 HB2 :: 3.009 HB3 :: 3.333 HD1 :: 6.966 HD2 :: 6.966 HE1 :: 6.279 HE2 :: 6.279 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 :: 123.312 Ave N Shift Values>> N :: 120.79(4.69) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 175.163 CA :: 47.153 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.131 HA2 :: 3.983 HA3 :: 3.423 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.177 Ave N Shift Values>> N :: 109.91(4.29) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.28 K 0.09 M 0.05 Q 0.02 C Shift Assignments>> C :: 179.924 CA :: 58.890 CB :: 29.750 CG :: 36.628 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 :: 7.876 HA :: 4.107 HB2 :: 2.281 HB3 :: 2.047 HG2 :: 2.350 HG3 :: 2.350 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 :: 122.219 Ave N Shift Values>> N :: 120.68(3.68) 1.Y11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 F 0.26 HN Overlap>> 1.L31 1.D107 1.Q57 1.K108 1.L31 1.D107 1.Q57 1.K108 C Shift Assignments>> C :: 176.854 CA :: 61.040 CB :: 37.593 CD1 :: 133.091 CD2 :: 133.091 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 :: 8.384 HA :: 4.305 HB2 :: 3.246 HB3 :: 3.353 HD1 :: 7.103 HD2 :: 7.103 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 :: 120.809 Ave N Shift Values>> N :: 120.79(4.69) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.11 A 0.02 G 0.01 C Shift Assignments>> C :: 178.621 CA :: 57.534 CB :: 41.957 CG :: 26.571 CD1 :: 25.555 CD2 :: 22.180 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 :: 9.027 HA :: 3.778 HB2 :: 1.803 HB3 :: 1.198 HG :: 1.216 HD11 :: 0.020 HD12 :: 0.020 HD13 :: 0.020 HD21 :: 0.649 HD22 :: 0.649 HD23 :: 0.649 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.080 Ave N Shift Values>> N :: 121.98(4.07) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 I 0.24 K 0.16 Q 0.1 M 0.03 C Shift Assignments>> C :: 178.449 CA :: 59.609 CB :: 29.124 CG :: 35.650 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 :: 7.614 HA :: 4.102 HB2 :: 2.109 HB3 :: 2.109 HG2 :: 2.413 HG3 :: 2.231 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 :: 118.475 Ave N Shift Values>> N :: 120.68(3.68) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.794 CA :: 61.064 CB :: 62.513 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.329 HA :: 4.358 HB2 :: 4.063 HB3 :: 4.069 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 :: 115.209 Ave N Shift Values>> N :: 116.3(3.95) 1.W15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 177.547 CA :: 61.210 CB :: 27.341 CD1 :: 126.133 CE3 :: 119.552 CZ2 :: 113.637 CZ3 :: 120.327 CH2 :: 124.364 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.870 HA :: 4.005 HB2 :: 2.684 HB3 :: 3.172 HD1 :: 6.984 HE1 :: 10.310 HE3 :: 7.575 HZ2 :: 7.453 HZ3 :: 6.946 HH2 :: 7.336 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 124.998 NE1 :: 130.162 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.909 CA :: 61.473 CB :: 38.506 CD1 :: 131.331 CD2 :: 131.331 CE1 :: 130.667 CE2 :: 130.667 CZ :: 129.752 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 :: 9.087 HA :: 3.210 HB2 :: 3.060 HB3 :: 3.022 HD1 :: 6.968 HD2 :: 6.968 HE1 :: 7.256 HE2 :: 7.256 HZ :: 7.243 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.825 Ave N Shift Values>> N :: 120.69(4.18) 1.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 N 0.21 F 0.16 E 0.15 D 0.09 I 0.04 M 0.03 L 0.02 K 0.01 C Shift Assignments>> C :: 176.604 CA :: 55.621 CB :: 37.830 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.768 HA :: 4.078 HB2 :: 2.938 HB3 :: 2.846 HD21 :: 7.682 HD22 :: 7.076 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 :: 115.600 ND2 :: 113.488 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.692 CA :: 64.679 CB :: 68.940 CG2 :: 21.325 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 :: 7.454 HA :: 4.147 HB :: 4.092 HG21 :: 1.186 HG22 :: 1.186 HG23 :: 1.186 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 :: 113.049 Ave N Shift Values>> N :: 115.7(5.05) 1.K19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.57 K 0.32 A 0.04 M 0.04 C Shift Assignments>> C :: 178.120 CA :: 55.985 CB :: 31.130 CG :: 22.662 CD :: 27.118 CE :: 41.459 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.918 HA :: 3.791 HB2 :: 0.892(S) HB3 :: 0.679(S) HG2 :: 0.586 HG3 :: 0.462 HD2 :: 1.314 HD3 :: 1.187 HE2 :: 2.645 HE3 :: 2.647 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 :: 122.614 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.35 K 0.34 R 0.21 G 0.07 C Shift Assignments>> C :: 175.601 CA :: 58.182 CB :: 28.045 CG :: 25.132 CD :: 43.196 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 :: 7.845 HA :: 3.396 HB2 :: 1.193 HB3 :: 0.675(S) HG2 :: 1.049 HG3 :: 0.583(S) HD2 :: 2.745 HD3 :: 2.694 HE :: 7.510 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 :: 116.282 NE :: 110.057 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.H21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 H 0.49 C Shift Assignments>> C :: 175.618 CA :: 56.912 CB :: 29.400 CD2 :: 120.036 CE1 :: 138.200 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 :: 7.163 HA :: 4.500 HB2 :: 3.238 HB3 :: 2.978 HD2 :: 7.185 HE1 :: 8.210 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 :: 115.452 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.948 CA :: 58.589 CB :: 64.228 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.951 HA :: 4.573 HB2 :: 3.917 HB3 :: 3.835 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 :: 113.209 Ave N Shift Values>> N :: 116.3(3.95) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 I 0.04 A 0.02 C Shift Assignments>> C :: 175.397 CA :: 59.556 CB :: 33.810 CG1 :: 21.355 CG2 :: 17.485 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 :: 7.179 HA :: 4.626 HB :: 2.212 HG11 :: 0.870 HG12 :: 0.870 HG13 :: 0.870 HG21 :: 0.750 HG22 :: 0.750 HG23 :: 0.750 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 :: 113.108 Ave N Shift Values>> N :: 121.02(4.96) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.23 R 0.19 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.037 CA :: 44.452 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.189 HA2 :: 4.074 HA3 :: 4.195 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.374 Ave N Shift Values>> N :: 109.91(4.29) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.V60 1.V60 C Shift Assignments>> C :: 178.042 CA :: 64.238 CB :: 37.931 CG1 :: 28.256 CG2 :: 17.070 CD1 :: 12.770 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 :: 8.331 HA :: 3.839 HB :: 1.873 HG12 :: 1.614 HG13 :: 1.290 HG21 :: 0.974 HG22 :: 0.974 HG23 :: 0.974 HD11 :: 0.926 HD12 :: 0.926 HD13 :: 0.926 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 :: 119.895 Ave N Shift Values>> N :: 121.6(4.72) 1.Q26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.31 R 0.2 E 0.07 I 0.03 M 0.02 P 0.01 C Shift Assignments>> C :: 178.454 CA :: 58.772 CB :: 27.346 CG :: 33.435 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 :: 8.545 HA :: 4.129 HB2 :: 2.136 HB3 :: 2.135 HG2 :: 2.471 HG3 :: 2.471 HE21 :: 7.491 HE22 :: 6.922 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 :: 120.013 NE2 :: 112.235 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.818 CA :: 65.855 CB :: 68.127 CG2 :: 21.733 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 :: 7.944 HA :: 3.953 HB :: 4.069 HG21 :: 1.249 HG22 :: 1.249 HG23 :: 1.249 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.645 Ave N Shift Values>> N :: 115.7(5.05) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.23 I 0.07 C Shift Assignments>> C :: 178.515 CA :: 55.742 CB :: 17.513 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.593 HA :: 3.899 HB1 :: 1.457 HB2 :: 1.457 HB3 :: 1.457 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.917 Ave N Shift Values>> N :: 123.23(3.7) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.68 R 0.27 M 0.02 G 0.01 C Shift Assignments>> C :: 179.527 CA :: 59.761 CB :: 32.223 CG :: 25.059 CD :: 29.228 CE :: 42.001 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.800 HA :: 3.982 HB2 :: 1.952 HB3 :: 1.952 HG2 :: 1.398 HG3 :: 1.402 HD2 :: 1.683 HD3 :: 1.680 HE2 :: 2.944 HE3 :: 2.944 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 :: 117.474 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.389 CA :: 65.640 CB :: 31.644 CG1 :: 21.146 CG2 :: 22.253 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 :: 7.591 HA :: 3.503 HB :: 2.151 HG11 :: 0.785 HG12 :: 0.785 HG13 :: 0.785 HG21 :: 1.050 HG22 :: 1.050 HG23 :: 1.050 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.749 Ave N Shift Values>> N :: 121.02(4.96) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.1 G 0.02 HN Overlap>> 1.Y11 1.Y11 C Shift Assignments>> C :: 177.780 CA :: 58.157 CB :: 42.230 CG :: 27.018 CD1 :: 24.710 CD2 :: 24.237 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 :: 8.333 HA :: 4.074 HB2 :: 1.980 HB3 :: 1.755 HG :: 1.892 HD11 :: 1.112 HD12 :: 1.112 HD13 :: 1.112 HD21 :: 0.968 HD22 :: 0.968 HD23 :: 0.968 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 :: 120.901 Ave N Shift Values>> N :: 121.98(4.07) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.33 M 0.03 HN Overlap>> 1.I77 1.I77 C Shift Assignments>> C :: 178.037 CA :: 58.911 CB :: 31.605 CG :: 24.209 CD :: 28.698 CE :: 41.661 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 :: 8.562 HA :: 3.290 HB2 :: 1.731 HG2 :: 1.206 HG3 :: 0.964 HD2 :: 1.464 HD3 :: 1.283 HE2 :: 2.711 HE3 :: 2.712 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 :: 119.075 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 177.101 CA :: 46.928 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.694 HA2 :: 3.949 HA3 :: 3.826 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.282 Ave N Shift Values>> N :: 109.91(4.29) 1.Y34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.98 H 0.01 C Shift Assignments>> C :: 179.611 CA :: 59.349 CB :: 37.344 CD1 :: 130.837 CD2 :: 130.837 CE1 :: 117.979 CE2 :: 117.979 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 :: 8.015 HA :: 4.558 HB2 :: 3.048 HB3 :: 3.283 HD1 :: 7.020 HD2 :: 7.020 HE1 :: 6.756 HE2 :: 6.756 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 :: 121.781 Ave N Shift Values>> N :: 120.79(4.69) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.09 C Shift Assignments>> C :: 177.081 CA :: 59.155 CB :: 41.103 CG :: 27.472 CD1 :: 25.250 CD2 :: 25.117 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 :: 8.689 HA :: 3.977 HB2 :: 1.902 HB3 :: 1.403 HG :: 1.892 HD11 :: 0.873 HD12 :: 0.873 HD13 :: 0.873 HD21 :: 0.924 HD22 :: 0.924 HD23 :: 0.924 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 :: 120.392 Ave N Shift Values>> N :: 121.98(4.07) 1.N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 N 0.21 F 0.19 D 0.13 E 0.09 I 0.04 L 0.03 M 0.02 C Shift Assignments>> C :: 176.792 CA :: 55.642 CB :: 38.319 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 :: 8.721 HA :: 4.435 HB2 :: 2.838 HB3 :: 2.721 HD21 :: 7.418 HD22 :: 6.818 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 :: 114.623 ND2 :: 110.544 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.039 CA :: 59.825 CB :: 64.056 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.511 HA :: 4.642 HB2 :: 3.990 HB3 :: 4.044 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 110.941 Ave N Shift Values>> N :: 116.3(3.95) 1.R38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.6 K 0.28 G 0.11 C Shift Assignments>> C :: 176.514 CA :: 56.687 CB :: 32.434 CG :: 26.459 CD :: 43.347 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 :: 7.242 HA :: 4.919 HB2 :: 2.390 HB3 :: 1.958 HG2 :: 1.772 HG3 :: 1.770 HD2 :: 3.175 HD3 :: 2.914 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.062 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.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.267 CA :: 66.134 CB :: 39.787 CG1 :: 28.526 CG2 :: 18.089 CD1 :: 14.237 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 :: 8.462 HA :: 3.618 HB :: 1.756 HG12 :: 1.780 HG13 :: 0.953 HG21 :: 0.726 HG22 :: 0.726 HG23 :: 0.726 HD11 :: 0.927 HD12 :: 0.927 HD13 :: 0.927 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 :: 121.214 Ave N Shift Values>> N :: 121.6(4.72) 1.I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 67.844 CB :: 34.406 CG1 :: 32.032 CG2 :: 17.097 CD1 :: 12.955 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 :: 9.339 HA :: 3.401 HB :: 2.191 HG12 :: 1.542 HG13 :: 0.685 HG21 :: 0.863 HG22 :: 0.863 HG23 :: 0.863 HD11 :: 0.822 HD12 :: 0.822 HD13 :: 0.822 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 :: 119.695 Ave N Shift Values>> N :: 121.6(4.72) 1.P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.418 CA :: 65.912 CB :: 30.686 CG :: 28.352 CD :: 49.870 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 :: 4.314 HB2 :: 2.350 HB3 :: 1.805 HG2 :: 1.893 HG3 :: 1.893 HD2 :: 3.658 HD3 :: 3.185 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.S42 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 :: 174.813 CA :: 61.279 CB :: 64.285 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.857 HA :: 4.558 HB2 :: 3.792 HB3 :: 3.686 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 108.994 Ave N Shift Values>> N :: 116.3(3.95) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.37 A 0.12 R 0.01 C Shift Assignments>> C :: 177.301 CA :: 54.113 CB :: 44.800 CG :: 26.230 CD1 :: 25.871 CD2 :: 22.182 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 :: 8.230 HA :: 4.572 HB2 :: 1.582 HB3 :: 1.417 HG :: 0.900 HD11 :: 0.383 HD12 :: 0.383 HD13 :: 0.383 HD21 :: 0.563 HD22 :: 0.563 HD23 :: 0.563 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 :: 118.715 Ave N Shift Values>> N :: 121.98(4.07) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 174.178 CA :: 46.271 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.498 HA2 :: 4.010 HA3 :: 3.613 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.371 Ave N Shift Values>> N :: 109.91(4.29) 1.N45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.13 Y 0.1 F 0.06 E 0.04 M 0.02 L 0.01 C Shift Assignments>> C :: 175.386 CA :: 53.144 CB :: 37.928 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 :: 8.385 HA :: 4.789 HB2 :: 2.777 HB3 :: 2.817 HD21 :: 7.580 HD22 :: 6.880 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 :: 114.387 ND2 :: 112.966 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.997 CA :: 60.853 CB :: 38.042 CG1 :: 27.870 CG2 :: 16.449 CD1 :: 12.403 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 :: 7.465 HA :: 3.856 HB :: 1.646 HG12 :: 1.377 HG13 :: 0.784 HG21 :: 0.755 HG22 :: 0.755 HG23 :: 0.755 HD11 :: 0.389 HD12 :: 0.389 HD13 :: 0.389 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.998 Ave N Shift Values>> N :: 121.6(4.72) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.94 M 0.03 L 0.02 C Shift Assignments>> C :: 177.583 CA :: 56.320 CB :: 30.393 CG :: 24.729 CD :: 27.994 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 :: 8.717 HA :: 4.249 HB2 :: 1.983 HB3 :: 1.628 HG2 :: 1.576 HG3 :: 1.576 HD2 :: 1.503 HD3 :: 1.398 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 :: 126.114 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 R 0.21 G 0.04 K 0.01 C Shift Assignments>> C :: 177.274 CA :: 58.443 CB :: 42.282 CG :: 26.468 CD1 :: 23.984 CD2 :: 26.609 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 :: 8.323 HA :: 3.691 HB2 :: 1.779 HB3 :: 1.158 HG :: 1.297 HD11 :: 0.553 HD12 :: 0.553 HD13 :: 0.553 HD21 :: 0.484 HD22 :: 0.484 HD23 :: 0.484 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 :: 125.857 Ave N Shift Values>> N :: 121.98(4.07) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.28 C Shift Assignments>> C :: 177.468 CA :: 53.092 CB :: 18.562 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.929 HA :: 4.067 HB1 :: 1.442 HB2 :: 1.442 HB3 :: 1.442 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 115.543 Ave N Shift Values>> N :: 123.23(3.7) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.31 M 0.02 G 0.01 C Shift Assignments>> C :: 174.958 CA :: 53.977 CB :: 32.645 CG :: 24.596 CD :: 27.962 CE :: 42.015 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.684 HA :: 4.395 HB2 :: 2.137 HB3 :: 1.782 HG2 :: 1.284 HG3 :: 1.282 HD2 :: 1.701 HD3 :: 1.699 HE2 :: 3.054 HE3 :: 2.979 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.788 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 G 0.11 R 0.02 A 0.01 C Shift Assignments>> C :: 177.953 CA :: 55.318 CB :: 43.182 CG :: 25.894 CD1 :: 24.593 CD2 :: 23.594 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 :: 6.776 HA :: 4.569 HB2 :: 1.247 HB3 :: 1.464 HG :: 1.462 HD11 :: 0.245 HD12 :: 0.245 HD13 :: 0.245 HD21 :: 0.327 HD22 :: 0.327 HD23 :: 0.327 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.408 Ave N Shift Values>> N :: 121.98(4.07) 1.T52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.97 A 0.02 C Shift Assignments>> C :: 175.553 CA :: 59.740 CB :: 73.557 CG2 :: 21.023 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 :: 10.680(S) HA :: 4.938 HB :: 4.682 HG21 :: 1.304 HG22 :: 1.304 HG23 :: 1.304 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 :: 119.481 Ave N Shift Values>> N :: 115.7(5.05) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.990 CA :: 61.025 CB :: 62.312 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.278 HA :: 4.261 HB2 :: 4.000 HB3 :: 4.007 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 :: 116.343 Ave N Shift Values>> N :: 116.3(3.95) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.02 C Shift Assignments>> C :: 178.505 CA :: 57.719 CB :: 40.997 CG :: 26.673 CD1 :: 23.501 CD2 :: 24.538 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 :: 7.808 HA :: 4.229 HB2 :: 1.487 HG :: 1.539 HD11 :: 0.897 HD12 :: 0.897 HD13 :: 0.897 HD21 :: 0.830 HD22 :: 0.830 HD23 :: 0.830 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.055 Ave N Shift Values>> N :: 121.98(4.07) 1.H55 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 H 0.49 C Shift Assignments>> C :: 180.044(A) CA :: 60.583 CB :: 31.445 CD2 :: 116.215 CE1 :: 138.198 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 :: 7.798 HA :: 4.311 HB2 :: 3.526 HB3 :: 2.871 HD2 :: 7.113 HE1 :: 7.870 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 :: 118.683 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.M56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 A 0.29 C Shift Assignments>> C :: 177.169 CA :: 55.823 CB :: 31.303 CG :: 32.056 CE :: 18.121 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 :: 7.375 HA :: 4.513 HB2 :: 2.313 HB3 :: 2.052 HG2 :: 2.623 HG3 :: 2.440 HE1 :: 1.791 HE2 :: 1.791 HE3 :: 1.791 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 :: 114.530 Ave N Shift Values>> N :: 120.1(3.88) 1.Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.31 E 0.2 R 0.06 M 0.05 I 0.02 HN Overlap>> 1.D107 1.D107 1.K108 1.Y11 1.K108 1.Y11 C Shift Assignments>> C :: 178.033 CA :: 57.922 CB :: 29.012 CG :: 34.067 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 :: 8.387 HA :: 3.981 HB2 :: 2.324 HB3 :: 2.135 HG2 :: 2.421 HG3 :: 2.356 HE21 :: 7.235 HE22 :: 7.663 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 :: 120.713 NE2 :: 115.313 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 N 0.2 Y 0.19 F 0.09 M 0.09 K 0.03 D 0.03 I 0.03 C Shift Assignments>> C :: 178.084 CA :: 55.345 CB :: 36.924 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 :: 8.765 HA :: 4.539 HB2 :: 3.001 HB3 :: 2.891 HD21 :: 7.784 HD22 :: 6.824 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 :: 117.390 ND2 :: 111.466 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 178.015 CA :: 60.779 CB :: 38.047 CD1 :: 131.702 CD2 :: 131.702 CE1 :: 117.525 CE2 :: 117.525 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 :: 8.239 HA :: 4.586 HB2 :: 3.351 HB3 :: 3.168 HD1 :: 6.990 HD2 :: 6.990 HE1 :: 6.692 HE2 :: 6.692 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.335 Ave N Shift Values>> N :: 120.79(4.69) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.I25 1.I25 C Shift Assignments>> C :: 177.309 CA :: 67.022 CB :: 30.929 CG1 :: 21.292 CG2 :: 23.290 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 :: 8.416 HA :: 3.244 HB :: 2.117 HG11 :: 0.947 HG12 :: 0.947 HG13 :: 0.947 HG21 :: 0.999 HG22 :: 0.999 HG23 :: 0.999 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.842 Ave N Shift Values>> N :: 121.02(4.96) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 Y 0.17 N 0.14 M 0.12 F 0.08 K 0.05 I 0.03 D 0.02 Q 0.01 HN Overlap>> 1.H116 1.H116 C Shift Assignments>> C :: 177.263 CA :: 55.548 CB :: 36.645 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 :: 8.264 HA :: 4.305 HB2 :: 2.979 HB3 :: 2.974 HD21 :: 7.742 HD22 :: 6.888 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.103 ND2 :: 109.850 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.409 CA :: 61.612 CB :: 62.219 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.143 HA :: 4.343 HB2 :: 4.107 HB3 :: 4.106 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.254 Ave N Shift Values>> N :: 116.3(3.95) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 A 0.15 R 0.05 C Shift Assignments>> C :: 178.748 CA :: 57.171 CB :: 41.134 CG :: 25.457 CD1 :: 26.144 CD2 :: 21.113 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 :: 7.664 HA :: 4.003 HB2 :: 1.937 HB3 :: 1.101 HG :: 1.214 HD11 :: 0.504 HD12 :: 0.504 HD13 :: 0.504 HD21 :: 0.639 HD22 :: 0.639 HD23 :: 0.639 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.812 Ave N Shift Values>> N :: 121.98(4.07) 1.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 K 0.37 L 0.16 G 0.05 C Shift Assignments>> C :: 180.797 CA :: 58.598 CB :: 28.849 CG :: 25.800 CD :: 42.971 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 :: 7.969 HA :: 4.038 HB2 :: 2.246 HB3 :: 1.739 HG2 :: 1.885 HG3 :: 1.527 HD2 :: 3.251 HD3 :: 3.116 HE :: 7.197 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.376 NE :: 110.899 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.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.29 D 0.13 L 0.09 I 0.07 N 0.05 K 0.02 E 0.01 C Shift Assignments>> C :: 177.336 CA :: 56.957 CB :: 39.602 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 :: 8.465 HA :: 4.408 HB2 :: 2.840 HB3 :: 2.758 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.402 Ave N Shift Values>> N :: 120.73(4.2) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 K 0.16 M 0.1 Q 0.09 I 0.09 C Shift Assignments>> C :: 176.586 CA :: 56.974 CB :: 29.821 CG :: 36.114 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 :: 7.703 HA :: 4.213 HB2 :: 2.200 HB3 :: 2.207 HG2 :: 2.467 HG3 :: 2.344 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.076 Ave N Shift Values>> N :: 120.68(3.68) 1.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.21 R 0.15 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.614 CA :: 44.608 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.861 HA2 :: 4.269 HA3 :: 3.731 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.730 Ave N Shift Values>> N :: 109.91(4.29) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 R 0.19 G 0.01 C Shift Assignments>> C :: 176.136 CA :: 55.659 CB :: 41.874 CG :: 28.327 CD1 :: 24.760 CD2 :: 23.945 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 :: 7.324 HA :: 4.257 HB2 :: 1.439 HB3 :: 1.337 HG :: 1.765 HD11 :: 0.843 HD12 :: 0.843 HD13 :: 0.843 HD21 :: 0.807 HD22 :: 0.807 HD23 :: 0.807 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.062 Ave N Shift Values>> N :: 121.98(4.07) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.31 M 0.03 G 0.01 C Shift Assignments>> C :: 177.940 CA :: 55.412 CB :: 32.761 CG :: 25.151 CD :: 28.650 CE :: 42.028 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 :: 8.368 HA :: 4.281 HB2 :: 2.095 HB3 :: 1.914 HG2 :: 1.671 HG3 :: 1.603 HD2 :: 1.759 HD3 :: 1.749 HE2 :: 3.063 HE3 :: 3.063 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 :: 120.120 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.75 K 0.11 G 0.11 L 0.01 C Shift Assignments>> C :: 177.712 CA :: 60.216 CB :: 29.539 CG :: 27.607 CD :: 43.015 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 :: 9.095 HA :: 3.684 HB2 :: 1.777 HB3 :: 1.916 HG2 :: 1.582 HG3 :: 1.583 HD2 :: 3.193 HD3 :: 3.189 HE :: 7.492 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.339 NE :: 111.621 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.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 176.324 CA :: 46.752 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.985 HA2 :: 3.932 HA3 :: 3.905 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.509 Ave N Shift Values>> N :: 109.91(4.29) 1.T72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.135 CA :: 65.848 CB :: 68.160 CG2 :: 22.456 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 :: 7.295 HA :: 4.014 HB :: 4.254 HG21 :: 1.327 HG22 :: 1.327 HG23 :: 1.327 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 :: 118.617 Ave N Shift Values>> N :: 115.7(5.05) 1.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.060 CA :: 66.561 CB :: 37.339 CG1 :: 29.048 CG2 :: 17.413 CD1 :: 12.772 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 :: 7.883 HA :: 3.258 HB :: 1.862 HG12 :: 1.715 HG13 :: 0.625 HG21 :: 0.823 HG22 :: 0.823 HG23 :: 0.823 HD11 :: 0.633 HD12 :: 0.633 HD13 :: 0.633 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 :: 121.692 Ave N Shift Values>> N :: 121.6(4.72) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.39 K 0.08 M 0.02 Q 0.02 C Shift Assignments>> C :: 178.319 CA :: 59.637 CB :: 29.257 CG :: 36.610 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 :: 8.723 HA :: 3.807 HB2 :: 2.095 HB3 :: 2.100 HG2 :: 2.337 HG3 :: 2.188 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 :: 117.701 Ave N Shift Values>> N :: 120.68(3.68) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.33 M 0.02 G 0.01 C Shift Assignments>> C :: 178.554 CA :: 59.764 CB :: 32.314 CG :: 25.578 CD :: 29.320 CE :: 42.096 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.361 HA :: 3.958 HB2 :: 2.026 HB3 :: 1.883 HG2 :: 1.780 HG3 :: 1.569 HD2 :: 1.869 HD3 :: 1.869 HE2 :: 2.953 HE3 :: 3.027 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 :: 118.734 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.V79 1.V79 C Shift Assignments>> C :: 177.504 CA :: 65.796 CB :: 37.732 CG1 :: 29.735 CG2 :: 17.523 CD1 :: 13.990 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 :: 7.713 HA :: 3.221 HB :: 1.751 HG12 :: 1.332 HG13 :: 0.148 HG21 :: 0.913 HG22 :: 0.913 HG23 :: 0.913 HD11 :: 0.571 HD12 :: 0.571 HD13 :: 0.571 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.312 Ave N Shift Values>> N :: 121.6(4.72) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.K32 1.K32 C Shift Assignments>> C :: 177.074 CA :: 63.168 CB :: 36.617 CG1 :: 28.727 CG2 :: 17.807 CD1 :: 12.323 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 :: 8.587 HA :: 3.778 HB :: 1.881 HG12 :: 1.194 HG13 :: 1.509 HG21 :: 0.916 HG22 :: 0.916 HG23 :: 0.916 HD11 :: 0.805 HD12 :: 0.805 HD13 :: 0.805 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.978 Ave N Shift Values>> N :: 121.6(4.72) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.67 R 0.28 M 0.02 G 0.01 C Shift Assignments>> C :: 178.291 CA :: 60.192 CB :: 31.886 CG :: 25.345 CD :: 29.296 CE :: 41.989 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 :: 8.050 HA :: 3.925 HB2 :: 2.001 HB3 :: 2.001 HG2 :: 1.637 HG3 :: 1.474 HD2 :: 1.739 HD3 :: 1.744 HE2 :: 3.031 HE3 :: 3.031 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.618 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.I76 1.I76 C Shift Assignments>> C :: 177.712 CA :: 66.494 CB :: 31.298 CG1 :: 21.724 CG2 :: 23.244 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 :: 7.619 HA :: 3.846 HB :: 2.415 HG11 :: 1.008 HG12 :: 1.008 HG13 :: 1.008 HG21 :: 1.304 HG22 :: 1.304 HG23 :: 1.304 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 :: 120.254 Ave N Shift Values>> N :: 121.02(4.96) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 179.892 CA :: 65.343 CB :: 38.129 CG1 :: 28.882 CG2 :: 15.804 CD1 :: 14.439 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 :: 7.885 HA :: 3.367 HB :: 1.908 HG12 :: 1.880 HG13 :: 1.082 HG21 :: 0.890 HG22 :: 0.890 HG23 :: 0.890 HD11 :: 0.857 HD12 :: 0.857 HD13 :: 0.857 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 :: 119.666 Ave N Shift Values>> N :: 121.6(4.72) 1.R81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.63 G 0.3 K 0.06 C Shift Assignments>> C :: 178.204 CA :: 60.560 CB :: 30.196 CG :: 28.093 CD :: 43.777 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 :: 9.384 HA :: 3.834 HB2 :: 1.874 HB3 :: 2.039 HG2 :: 1.609 HG3 :: 1.440 HD2 :: 3.116 HD3 :: 3.205 HE :: 7.017 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 :: 121.030 NE :: 111.239 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.N82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.22 N 0.14 D 0.11 E 0.08 I 0.05 L 0.04 M 0.01 C Shift Assignments>> C :: 178.300 CA :: 56.160 CB :: 38.464 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 :: 8.773 HA :: 4.587 HB2 :: 3.062 HB3 :: 3.207 HD21 :: 7.915 HD22 :: 7.097 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 :: 118.483 ND2 :: 111.915 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.386 CA :: 61.245 CB :: 61.287 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.526 HA :: 2.765(S) HB2 :: 2.605(S) HB3 :: 2.943 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.286 Ave N Shift Values>> N :: 116.3(3.95) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 A 0.08 R 0.02 C Shift Assignments>> C :: 177.846 CA :: 57.166 CB :: 40.520 CG :: 26.364 CD1 :: 25.753 CD2 :: 21.616 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 :: 7.782 HA :: 4.221 HB2 :: 1.890 HB3 :: 1.093 HG :: 1.771 HD11 :: 0.695 HD12 :: 0.695 HD13 :: 0.695 HD21 :: 0.452 HD22 :: 0.452 HD23 :: 0.452 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.445 Ave N Shift Values>> N :: 121.98(4.07) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.22 K 0.16 Q 0.08 M 0.03 HN Overlap>> 1.E110 1.E110 C Shift Assignments>> C :: 179.288 CA :: 59.025 CB :: 29.182 CG :: 35.938 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 :: 8.264 HA :: 3.981 HB2 :: 2.233 HB3 :: 2.227 HG2 :: 2.447 HG3 :: 2.326 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 :: 121.538 Ave N Shift Values>> N :: 120.68(3.68) 1.H86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.56 H 0.43 C Shift Assignments>> C :: 175.484 CA :: 58.940 CB :: 29.267 CD2 :: 120.828 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 :: 7.683 HA :: 4.573 HB2 :: 3.289 HB3 :: 3.511 HD2 :: 7.594 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 :: 117.087 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.31 I 0.03 C Shift Assignments>> C :: 179.038 CA :: 54.863 CB :: 17.034 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.197 HA :: 3.925 HB1 :: 1.233 HB2 :: 1.233 HB3 :: 1.233 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.510 Ave N Shift Values>> N :: 123.23(3.7) 1.I88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 180.846 CA :: 64.021 CB :: 37.557 CG1 :: 28.774 CG2 :: 16.779 CD1 :: 13.733 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 :: 7.819 HA :: 4.067 HB :: 2.034 HG12 :: 1.644 HG13 :: 0.480 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 HD11 :: 0.623 HD12 :: 0.623 HD13 :: 0.623 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.898 Ave N Shift Values>> N :: 121.6(4.72) 1.D89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.31 F 0.3 D 0.11 I 0.08 L 0.08 N 0.03 K 0.03 E 0.01 C Shift Assignments>> C :: 178.033 CA :: 57.343 CB :: 39.689 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 :: 7.808 HA :: 4.437 HB2 :: 2.947 HB3 :: 2.723 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 :: 125.174 Ave N Shift Values>> N :: 120.73(4.2) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 A 0.2 G 0.08 R 0.04 C Shift Assignments>> C :: 175.416 CA :: 54.755 CB :: 42.960 CG :: 25.716 CD1 :: 25.679 CD2 :: 21.800 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.607 HA :: 4.198 HB2 :: 1.696 HB3 :: 1.693 HG :: 1.467 HD11 :: 0.959 HD12 :: 0.959 HD13 :: 0.959 HD21 :: 0.863 HD22 :: 0.863 HD23 :: 0.863 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 :: 117.576 Ave N Shift Values>> N :: 121.98(4.07) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 E 0.26 K 0.21 L 0.03 M 0.02 Q 0.02 C Shift Assignments>> C :: 175.792 CA :: 57.202 CB :: 26.125 CG :: 36.803 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 :: 8.143 HA :: 4.005 HB2 :: 2.334 HB3 :: 2.231 HG2 :: 2.167 HG3 :: 2.146 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 :: 113.620 Ave N Shift Values>> N :: 120.68(3.68) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 R 0.14 G 0.14 A 0.06 C Shift Assignments>> C :: 176.622 CA :: 56.410 CB :: 43.378 CG :: 26.470 CD1 :: 25.920 CD2 :: 21.950 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 :: 8.290 HA :: 4.216 HB2 :: 1.569 HB3 :: 1.341 HG :: 1.667 HD11 :: 0.840 HD12 :: 0.840 HD13 :: 0.840 HD21 :: 0.861 HD22 :: 0.861 HD23 :: 0.861 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.868 Ave N Shift Values>> N :: 121.98(4.07) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 G 0.3 A 0.09 C Shift Assignments>> C :: 175.145 CA :: 58.707 CB :: 42.864 CG1 :: 24.772 CG2 :: 18.978 CD1 :: 14.135 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 :: 6.988 HA :: 4.580 HB :: 2.065 HG12 :: 1.029 HG13 :: 0.514 HG21 :: 0.778 HG22 :: 0.778 HG23 :: 0.778 HD11 :: 0.820 HD12 :: 0.820 HD13 :: 0.820 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 :: 107.565 Ave N Shift Values>> N :: 121.6(4.72) 1.T94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.875 CA :: 61.842 CB :: 69.972 CG2 :: 21.504 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 :: 8.742 HA :: 4.489 HB :: 4.328 HG21 :: 1.133 HG22 :: 1.133 HG23 :: 1.133 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 107.904 Ave N Shift Values>> N :: 115.7(5.05) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.81 R 0.08 M 0.04 A 0.03 G 0.01 C Shift Assignments>> C :: 173.791 CA :: 54.533 CB :: 35.123 CG :: 23.687 CD :: 28.755 CE :: 41.656 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.294 HA :: 4.566 HB2 :: 1.671 HB3 :: 1.674 HG2 :: 1.251 HG3 :: 1.247 HD2 :: 1.620 HD3 :: 1.625 HE2 :: 2.916 HE3 :: 2.923 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 :: 119.458 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.78 D 0.07 Y 0.04 M 0.02 F 0.02 E 0.02 C Shift Assignments>> C :: 176.653 CA :: 51.088 CB :: 37.292 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 :: 9.157 HA :: 4.408 HB2 :: 3.216 HB3 :: 2.409 HD21 :: 8.397 HD22 :: 6.151 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.031 ND2 :: 110.111 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 I 0.38 C Shift Assignments>> C :: 175.089 CA :: 63.437 CB :: 29.934 CG1 :: 20.790 CG2 :: 16.977 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 :: 8.193 HA :: 4.019 HB :: 2.233 HG11 :: 1.067 HG12 :: 1.067 HG13 :: 1.067 HG21 :: 0.506 HG22 :: 0.506 HG23 :: 0.506 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.839 Ave N Shift Values>> N :: 121.02(4.96) 1.A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.08 C Shift Assignments>> C :: 178.033 CA :: 50.342 CB :: 19.659 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.994 HA :: 5.108 HB1 :: 1.302 HB2 :: 1.302 HB3 :: 1.302 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.031 Ave N Shift Values>> N :: 123.23(3.7) 1.A99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.41 I 0.02 V 0.01 C Shift Assignments>> C :: 177.712 CA :: 55.117 CB :: 18.879 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.347 HA :: 3.818 HB1 :: 1.503 HB2 :: 1.503 HB3 :: 1.503 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.816 Ave N Shift Values>> N :: 123.23(3.7) 1.K100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.31 M 0.05 G 0.01 C Shift Assignments>> C :: 175.899 CA :: 54.231 CB :: 32.066 CG :: 24.582 CD :: 28.938 CE :: 42.152 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 :: 8.190 HA :: 4.483 HB2 :: 2.017 HB3 :: 1.597 HG2 :: 1.394 HG3 :: 1.295 HD2 :: 1.643 HD3 :: 1.643 HE2 :: 2.967 HE3 :: 2.967 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 :: 113.197 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.255 CA :: 64.392 CB :: 69.160 CG2 :: 22.629 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 :: 7.128 HA :: 3.834 HB :: 3.590 HG21 :: 1.060 HG22 :: 1.060 HG23 :: 1.060 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 :: 118.368 Ave N Shift Values>> N :: 115.7(5.05) 1.K102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.75 R 0.18 M 0.04 G 0.01 A 0.01 C Shift Assignments>> C :: 175.627 CA :: 55.117 CB :: 33.901 CG :: 24.078 CD :: 28.719 CE :: 41.989 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 :: 8.753 HA :: 4.438 HB2 :: 1.780 HB3 :: 1.716 HG2 :: 1.421 HG3 :: 1.421 HD2 :: 1.656 HD3 :: 1.656 HE2 :: 2.987 HE3 :: 2.987 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 :: 126.513 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 A 0.02 R 0.01 C Shift Assignments>> CA :: 52.233 CB :: 41.028 CG :: 27.268 CD1 :: 24.643 CD2 :: 24.184 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 :: 8.602 HA :: 4.486 HB2 :: 1.557 HB3 :: 1.461 HG :: 1.673 HD11 :: 0.886 HD12 :: 0.886 HD13 :: 0.886 HD21 :: 0.806 HD22 :: 0.806 HD23 :: 0.806 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 :: 124.466 Ave N Shift Values>> N :: 121.98(4.07) 1.P104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.779 CA :: 62.322 CB :: 31.899 CG :: 27.359 CD :: 49.975 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 :: 4.437 HB2 :: 2.314 HB3 :: 1.863 HG2 :: 1.955 HG3 :: 1.952 HD2 :: 3.718 HD3 :: 3.411 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.K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.29 M 0.05 G 0.01 C Shift Assignments>> C :: 175.998 CA :: 56.480 CB :: 32.909 CG :: 24.465 CD :: 28.965 CE :: 42.016 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 :: 8.460 HA :: 4.154 HB2 :: 1.785 HB3 :: 1.788 HG2 :: 1.480 HG3 :: 1.476 HD2 :: 1.687 HD3 :: 1.687 HE2 :: 3.011 HE3 :: 3.011 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 :: 122.139 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.15 C Shift Assignments>> C :: 176.828 CA :: 51.862 CB :: 19.323 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.448 HA :: 4.309 HB1 :: 1.356 HB2 :: 1.356 HB3 :: 1.356 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.278 Ave N Shift Values>> N :: 123.23(3.7) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.21 K 0.13 N 0.11 F 0.09 Y 0.07 R 0.03 HN Overlap>> 1.Q57 1.K108 1.Y11 1.Q57 1.K108 1.Y11 C Shift Assignments>> C :: 175.951 CA :: 54.214 CB :: 41.141 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 :: 8.428 HA :: 4.574 HB2 :: 2.720 HB3 :: 2.636 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 :: 120.771 Ave N Shift Values>> N :: 120.73(4.2) 1.K108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.3 M 0.06 G 0.01 HN Overlap>> 1.D107 1.Q57 1.D107 1.Q57 1.Y11 1.Y11 C Shift Assignments>> C :: 176.483 CA :: 56.831 CB :: 32.648 CG :: 24.378 CD :: 28.965 CE :: 41.961 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 :: 8.329 HA :: 4.203 HB2 :: 1.817 HB3 :: 1.817 HG2 :: 1.416 HG3 :: 1.416 HD2 :: 1.684 HD3 :: 1.684 HE2 :: 2.994 HE3 :: 2.994 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 :: 120.727 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 K 0.15 M 0.1 I 0.09 Q 0.07 C Shift Assignments>> C :: 176.513 CA :: 56.936 CB :: 29.833 CG :: 36.253 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 :: 8.447 HA :: 4.215 HB2 :: 2.034 HB3 :: 1.977 HG2 :: 2.252 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 :: 121.471 Ave N Shift Values>> N :: 120.68(3.68) 1.E110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 K 0.16 M 0.11 Q 0.09 I 0.07 HN Overlap>> 1.E85 1.E85 C Shift Assignments>> C :: 176.439 CA :: 56.681 CB :: 29.860 CG :: 36.118 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 :: 8.352 HA :: 4.233 HB2 :: 1.970 HB3 :: 2.044 HG2 :: 2.254 HG3 :: 2.254 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 :: 121.559 Ave N Shift Values>> N :: 120.68(3.68) 1.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.06 A 0.04 G 0.01 C Shift Assignments>> C :: 177.306 CA :: 55.277 CB :: 42.054 CG :: 26.617 CD1 :: 24.916 CD2 :: 22.966 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 :: 8.145 HA :: 4.251 HB2 :: 1.630 HB3 :: 1.512 HG :: 1.603 HD11 :: 0.888 HD12 :: 0.888 HD13 :: 0.888 HD21 :: 0.833 HD22 :: 0.833 HD23 :: 0.833 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 :: 122.181 Ave N Shift Values>> N :: 121.98(4.07) 1.E112 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.212 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 :: 120.291 Ave N Shift Values>> N :: 120.68(3.68) 1.H113 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H114 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 176.070 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) 1.H115 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H116 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.N61 1.N61 C Shift Assignments>> C :: 173.580 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.227 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 :: 119.156 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H117 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H118 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.143 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 :: 125.345 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) ########################################################################### Overall Results: #Consistent: 113 #Clerical: 0 #Suspicious: 4 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 110 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 118 #Suspicious: 0 C Shift Results: #Consistent: 510 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 833 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 0 N Shift Results: #Consistent: 123 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K19 HB2 = 0.892(S), Expected = 1.79, Std = 0.2500, ChiSquare = 3.2815e-04 1.K19 HB3 = 0.679(S), Expected = 1.78, Std = 0.2600, ChiSquare = 2.2894e-05 1.R20 HB3 = 0.675(S), Expected = 1.78, Std = 0.2800, ChiSquare = 7.9326e-05 1.R20 HG3 = 0.583(S), Expected = 1.58, Std = 0.2700, ChiSquare = 2.2198e-04 1.T52 H = 10.680(S), Expected = 8.27, Std = 0.6200, ChiSquare = 1.0145e-04 1.H55 C = 180.044(A), Expected = 175.19, Std = 2.1400, ChiSquare = 2.3316e-02 1.S83 HA = 2.765(S), Expected = 4.51, Std = 0.4300, ChiSquare = 4.9465e-05 1.S83 HB2 = 2.605(S), Expected = 3.88, Std = 0.2900, ChiSquare = 1.0998e-05