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 0.77 A 0.22 C Shift Assignments>> CA :: 55.267 CB :: 33.813 CG :: 31.130 CE :: 16.797 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> HA :: 3.963 HB2 :: 2.074 HB3 :: 2.074 HG2 :: 2.568 HG3 :: 2.568 HE1 :: 2.086 HE2 :: 2.086 HE3 :: 2.086 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.Q2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.81 E 0.18 C Shift Assignments>> C :: 175.186 CA :: 55.779 CB :: 29.693 CG :: 33.757 CD :: 180.378 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> HA :: 4.370 HB2 :: 1.942 HB3 :: 2.011 HG2 :: 2.318 HG3 :: 2.318 HE21 :: 7.574 HE22 :: 6.891 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> NE2 :: 112.455 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.76 D 0.23 C Shift Assignments>> C :: 175.072 CA :: 53.416 CB :: 38.937 CG :: 176.822 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.610 HA :: 4.641 HB2 :: 2.718 HB3 :: 2.775 HD21 :: 7.632 HD22 :: 6.924 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.614 ND2 :: 112.836 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.5 W 0.49 C Shift Assignments>> C :: 174.709 CA :: 56.212 CB :: 30.263 CD2 :: 120.125 CE1 :: 137.457 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.447 HA :: 4.608 HB2 :: 3.054 HB3 :: 3.162 HD2 :: 7.100 HE1 :: 8.138 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.971 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.22 F 0.12 N 0.11 K 0.1 Y 0.09 HN Overlap>> 1.V54 1.V54 C Shift Assignments>> C :: 176.352 CA :: 54.655 CB :: 40.965 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.367 HA :: 4.570 HB2 :: 2.604 HB3 :: 2.710 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.281 Ave N Shift Values>> N :: 120.65(3.86) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.06 A 0.02 G 0.01 C Shift Assignments>> C :: 177.664 CA :: 55.531 CB :: 42.260 CG :: 27.020 CD1 :: 25.008 CD2 :: 23.346 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.182 HA :: 4.287 HB2 :: 1.600 HB3 :: 1.666 HG :: 1.617 HD11 :: 0.918 HD12 :: 0.918 HD13 :: 0.918 HD21 :: 0.851 HD22 :: 0.851 HD23 :: 0.851 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.944 Ave N Shift Values>> N :: 121.86(3.9) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 M 0.14 K 0.09 Q 0.07 I 0.05 C Shift Assignments>> C :: 176.569 CA :: 56.952 CB :: 30.253 CG :: 36.350 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.307 HA :: 4.261 HB2 :: 1.961 HB3 :: 2.076 HG2 :: 2.263 HG3 :: 2.263 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.375 Ave N Shift Values>> N :: 120.67(3.48) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.012 CA :: 58.268 CB :: 63.952 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.142 HA :: 4.441 HB2 :: 3.838 HB3 :: 3.838 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.048 Ave N Shift Values>> N :: 116.28(3.52) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.808 CA :: 60.863 CB :: 39.025 CG1 :: 27.301 CG2 :: 17.589 CD1 :: 12.928 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.950 HA :: 4.233 HB :: 1.803 HG12 :: 1.448 HG13 :: 1.149 HG21 :: 0.874 HG22 :: 0.874 HG23 :: 0.874 HD11 :: 0.800 HD12 :: 0.800 HD13 :: 0.800 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.817 Ave N Shift Values>> N :: 121.46(4.28) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.84 R 0.14 HN Overlap>> 1.A48 1.A48 C Shift Assignments>> C :: 175.144 CA :: 55.651 CB :: 33.787 CG :: 25.098 CD :: 29.054 CE :: 41.834 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.623 HA :: 4.508 HB2 :: 1.734 HB3 :: 1.734 HG2 :: 1.346 HG3 :: 1.474 HD2 :: 1.624 HD3 :: 1.624 HE2 :: 2.917 HE3 :: 2.917 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.185 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.82 E 0.13 N 0.03 C Shift Assignments>> C :: 173.532 CA :: 54.552 CB :: 32.943 CG :: 34.244 CD :: 179.415 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.765 HA :: 5.043 HB2 :: 1.816 HB3 :: 1.961 HG2 :: 2.225 HG3 :: 2.137 HE21 :: 6.487 HE22 :: 7.240 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.244 NE2 :: 110.157 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 L 0.09 G 0.01 HN Overlap>> 1.K96 1.K96 C Shift Assignments>> C :: 176.067 CA :: 49.616 CB :: 21.734 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.123 HA :: 5.193 HB1 :: 1.013 HB2 :: 1.013 HB3 :: 1.013 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.187 Ave N Shift Values>> N :: 123.23(3.54) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 L 0.31 K 0.01 C Shift Assignments>> C :: 174.834 CA :: 50.040 CB :: 22.536 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.284 HA :: 4.624 HB1 :: 0.580 HB2 :: 0.580 HB3 :: 0.580 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.289 Ave N Shift Values>> N :: 123.23(3.54) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.28 C Shift Assignments>> C :: 177.245 CA :: 53.457 CB :: 45.353 CG :: 27.694 CD1 :: 24.487 CD2 :: 25.538 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.538 HA :: 5.399 HB2 :: 1.399 HB3 :: 1.399 HG :: 1.375 HD11 :: 0.702 HD12 :: 0.702 HD13 :: 0.702 HD21 :: 0.742 HD22 :: 0.742 HD23 :: 0.742 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.842 Ave N Shift Values>> N :: 121.86(3.9) 1.I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 I 0.44 A 0.02 C Shift Assignments>> C :: 175.040 CA :: 59.124 CB :: 43.625 CG1 :: 26.468 CG2 :: 18.124 CD1 :: 13.947 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.405 HA :: 5.769 HB :: 2.062 HG12 :: 1.367 HG13 :: 1.704 HG21 :: 1.067 HG22 :: 1.067 HG23 :: 1.067 HD11 :: 0.641 HD12 :: 0.641 HD13 :: 0.641 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.078 Ave N Shift Values>> N :: 121.46(4.28) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 E 0.34 C Shift Assignments>> C :: 175.595 CA :: 54.682 CB :: 34.099 CG :: 36.909 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.822 HA :: 5.263 HB2 :: 1.899 HB3 :: 2.042 HG2 :: 2.218 HG3 :: 2.218 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.419 Ave N Shift Values>> N :: 120.67(3.48) 1.Y17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.84 G 0.15 C Shift Assignments>> C :: 172.451 CA :: 57.391 CB :: 43.052 CD1 :: 132.587 CE1 :: 117.231 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.649 HA :: 6.236 HB2 :: 3.133 HB3 :: 3.308 HD1 :: 6.775 HD2 :: 6.775 HE1 :: 6.700 HE2 :: 6.700 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.169 Ave N Shift Values>> N :: 120.52(4.2) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 E 0.38 Q 0.01 C Shift Assignments>> C :: 174.165 CA :: 55.553 CB :: 34.054 CG :: 36.603 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.380 HA :: 5.071 HB2 :: 2.152 HB3 :: 2.152 HG2 :: 2.279 HG3 :: 2.279 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.448 Ave N Shift Values>> N :: 120.67(3.48) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 I 0.05 A 0.05 HN Overlap>> 1.F101 1.F101 C Shift Assignments>> C :: 172.373 CA :: 59.109 CB :: 34.942 CG1 :: 20.082 CG2 :: 23.773 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.603 HA :: 5.092 HB :: 1.290 HG11 :: 0.861 HG12 :: 0.861 HG13 :: 0.861 HG21 :: 0.307 HG22 :: 0.307 HG23 :: 0.307 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.035 Ave N Shift Values>> N :: 121.14(4.54) 1.R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 G 0.28 K 0.23 HN Overlap>> 1.Q22 1.Q22 C Shift Assignments>> C :: 174.845 CA :: 53.847 CB :: 34.778 CG :: 27.131 CD :: 43.124 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.436 HA :: 4.771 HB2 :: 1.473 HB3 :: 1.881 HG2 :: 1.465 HG3 :: 1.465 HD2 :: 3.169 HD3 :: 3.169 HE :: 6.764 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.965 NE :: 84.808 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.69 I 0.1 M 0.08 K 0.07 Q 0.02 C Shift Assignments>> C :: 176.258 CA :: 56.999 CB :: 29.938 CG :: 36.926 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.616 HA :: 4.514 HB2 :: 1.894 HB3 :: 2.016 HG2 :: 2.463 HG3 :: 2.463 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.412 Ave N Shift Values>> N :: 120.67(3.48) 1.Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.98 E 0.01 HN Overlap>> 1.R20 1.R20 C Shift Assignments>> C :: 177.098 CA :: 58.262 CB :: 28.343 CG :: 32.771 CD :: 178.647 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.531 HA :: 4.163 HB2 :: 1.923 HB3 :: 1.616 HG2 :: 2.316 HG3 :: 2.316 HE21 :: 7.505 HE22 :: 6.767 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 126.007 NE2 :: 110.302 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.09 R 0.01 HN Overlap>> 1.S79 1.S79 C Shift Assignments>> C :: 173.493 CA :: 45.299 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.811 HA2 :: 4.267 HA3 :: 3.674 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.182 Ave N Shift Values>> N :: 109.67(3.87) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.529 CA :: 55.773 CB :: 64.537 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.233 HA :: 4.832 HB2 :: 4.081 HB3 :: 3.783 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.998 Ave N Shift Values>> N :: 116.28(3.52) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.674 CA :: 58.861 CB :: 64.178 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.685 HA :: 4.498 HB2 :: 3.970 HB3 :: 3.841 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.280 Ave N Shift Values>> N :: 116.28(3.52) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.805 CA :: 61.133 CB :: 38.317 CG1 :: 27.599 CG2 :: 16.974 CD1 :: 12.061 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.884 HA :: 3.935 HB :: 1.752 HG12 :: 1.524 HG13 :: 1.177 HG21 :: 0.809 HG22 :: 0.809 HG23 :: 0.809 HD11 :: 0.841 HD12 :: 0.841 HD13 :: 0.841 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.598 Ave N Shift Values>> N :: 121.46(4.28) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.664 CA :: 63.665 CB :: 31.868 CG1 :: 22.399 CG2 :: 22.370 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.708 HA :: 3.895 HB :: 1.985 HG11 :: 0.932 HG12 :: 0.932 HG13 :: 0.932 HG21 :: 0.932 HG22 :: 0.932 HG23 :: 0.932 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 129.394 Ave N Shift Values>> N :: 121.14(4.54) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 R 0.21 G 0.09 C Shift Assignments>> C :: 176.955 CA :: 56.153 CB :: 43.181 CG :: 26.846 CD1 :: 26.094 CD2 :: 25.974 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.182 HA :: 4.270 HB2 :: 1.485 HB3 :: 1.485 HG :: 1.854 HD11 :: 0.834 HD12 :: 0.834 HD13 :: 0.834 HD21 :: 0.834 HD22 :: 0.834 HD23 :: 0.834 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.985 Ave N Shift Values>> N :: 121.86(3.9) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 R 0.26 D 0.15 G 0.11 F 0.03 K 0.02 Y 0.02 N 0.01 HN Overlap>> 1.I47 1.I47 C Shift Assignments>> C :: 173.798 CA :: 53.814 CB :: 43.558 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.378 HA :: 4.801 HB2 :: 2.930 HB3 :: 2.401 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.925 Ave N Shift Values>> N :: 120.65(3.86) 1.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D106 1.D106 C Shift Assignments>> C :: 174.106 CA :: 56.555 CB :: 64.987 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.037 HA :: 4.892 HB2 :: 3.567 HB3 :: 4.177 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.584 Ave N Shift Values>> N :: 116.28(3.52) 1.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 D 0.14 F 0.04 Y 0.04 L 0.03 C Shift Assignments>> C :: 175.689 CA :: 51.879 CB :: 38.565 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.292 HA :: 4.716 HB2 :: 3.454 HB3 :: 2.605 HD21 :: 7.632 HD22 :: 6.636 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 123.555 ND2 :: 108.251 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.K34 1.K34 C Shift Assignments>> C :: 178.353 CA :: 64.060 CB :: 37.370 CG1 :: 28.614 CG2 :: 17.083 CD1 :: 13.700 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.926 HA :: 3.879 HB :: 1.655 HG12 :: 1.316 HG13 :: 1.316 HG21 :: 1.017 HG22 :: 1.017 HG23 :: 1.017 HD11 :: 0.811 HD12 :: 0.811 HD13 :: 0.811 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.026 Ave N Shift Values>> N :: 121.46(4.28) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.512 CA :: 60.360 CB :: 63.039 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.124 HA :: 4.264 HB2 :: 4.108 HB3 :: 4.108 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.447 Ave N Shift Values>> N :: 116.28(3.52) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.84 R 0.13 HN Overlap>> 1.I32 1.I32 C Shift Assignments>> C :: 175.084 CA :: 54.669 CB :: 32.820 CG :: 24.622 CD :: 29.081 CE :: 41.901 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.919 HA :: 4.665 HB2 :: 2.078 HB3 :: 1.565 HG2 :: 1.306 HG3 :: 1.381 HD2 :: 1.726 HD3 :: 1.726 HE2 :: 3.030 HE3 :: 3.030 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.058 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 K 0.17 Q 0.16 M 0.09 I 0.01 C Shift Assignments>> C :: 174.281 CA :: 54.868 CB :: 29.630 CG :: 35.926 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.990 HA :: 4.666 HB2 :: 2.056 HB3 :: 2.056 HG2 :: 2.388 HG3 :: 2.388 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.588 Ave N Shift Values>> N :: 120.67(3.48) 1.P36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.248 CA :: 62.967 CB :: 32.268 CG :: 27.352 CD :: 50.607 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.404 HB2 :: 2.047 HB3 :: 1.688 HG2 :: 1.962 HG3 :: 1.962 HD2 :: 3.684 HD3 :: 3.882 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 R 0.23 G 0.14 A 0.01 C Shift Assignments>> C :: 174.556 CA :: 54.570 CB :: 43.594 CG :: 27.925 CD1 :: 25.817 CD2 :: 23.838 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.536 HA :: 4.646 HB2 :: 1.975 HB3 :: 1.764 HG :: 1.573 HD11 :: 0.830 HD12 :: 0.830 HD13 :: 0.830 HD21 :: 1.076 HD22 :: 1.076 HD23 :: 1.076 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.981 Ave N Shift Values>> N :: 121.86(3.9) 1.E38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.6 E 0.38 C Shift Assignments>> C :: 175.505 CA :: 53.963 CB :: 32.316 CG :: 38.203 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.804 HA :: 5.728(S) HB2 :: 1.755 HB3 :: 2.013 HG2 :: 1.865 HG3 :: 1.964 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 129.109 Ave N Shift Values>> N :: 120.67(3.48) 1.F39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.3 K 0.26 D 0.14 F 0.1 R 0.07 Y 0.06 I 0.02 N 0.01 C Shift Assignments>> CB :: 42.109 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> HD1 :: 6.879 HD2 :: 6.879 HE1 :: 6.993 HE2 :: 6.993 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) 1.I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.99 C Shift Assignments>> C :: 177.500 CA :: 60.227 CB :: 36.673 CG1 :: 28.100 CG2 :: 18.050 CD1 :: 11.850 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> HA :: 4.332 HB :: 1.849 HG12 :: 1.642 HG13 :: 1.153 HG21 :: 0.940 HG22 :: 0.940 HG23 :: 0.940 HD11 :: 0.802 HD12 :: 0.802 HD13 :: 0.802 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.001 CA :: 62.103 CB :: 37.568 CG1 :: 28.946 CG2 :: 17.838 CD1 :: 12.821 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.837 HA :: 3.998 HB :: 2.011 HG12 :: 1.282 HG13 :: 1.466 HG21 :: 1.020 HG22 :: 1.020 HG23 :: 1.020 HD11 :: 0.779 HD12 :: 0.779 HD13 :: 0.779 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 133.601 Ave N Shift Values>> N :: 121.46(4.28) 1.G42 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 :: 176.211 CA :: 46.117 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.392 HA2 :: 4.226 HA3 :: 4.013 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.751 Ave N Shift Values>> N :: 109.67(3.87) 1.T43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.508 CA :: 60.809 CB :: 69.847 CG2 :: 21.882 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.912 HA :: 4.624 HB :: 4.535 HG21 :: 1.114 HG22 :: 1.114 HG23 :: 1.114 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.373 Ave N Shift Values>> N :: 115.42(4.75) 1.N44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 D 0.26 E 0.08 Q 0.01 C Shift Assignments>> C :: 175.501 CA :: 54.445 CB :: 37.341 CG :: 178.653 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.587 HA :: 4.579 HB2 :: 3.023 HB3 :: 2.851 HD21 :: 7.546 HD22 :: 6.815 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.512 ND2 :: 112.813 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.59 E 0.4 C Shift Assignments>> C :: 176.426 CA :: 58.055 CB :: 30.207 CG :: 34.543 CD :: 180.454 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.146 HA :: 4.096 HB2 :: 2.208 HB3 :: 2.038 HG2 :: 2.512 HG3 :: 2.737 HE21 :: 7.625 HE22 :: 6.785 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.289 NE2 :: 111.532 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I46 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.79 A 0.12 G 0.07 C Shift Assignments>> C :: 175.275 CA :: 57.902 CB :: 42.245 CG1 :: 25.382 CG2 :: 17.044 CD1 :: 13.780 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 6.930 HA :: 4.444 HB :: 1.248 HG12 :: 0.106 HG13 :: 0.848 HG21 :: 0.199 HG22 :: 0.199 HG23 :: 0.199 HD11 :: -0.364(S) HD12 :: -0.364(S) HD13 :: -0.364(S) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 109.950 Ave N Shift Values>> N :: 121.46(4.28) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.D29 1.D29 C Shift Assignments>> C :: 177.263 CA :: 62.308 CB :: 37.936 CG1 :: 25.430 CG2 :: 18.013 CD1 :: 15.035 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.366 HA :: 3.794 HB :: 1.876 HG12 :: 0.829 HG13 :: 1.150 HG21 :: 0.033 HG22 :: 0.033 HG23 :: 0.033 HD11 :: 0.592 HD12 :: 0.592 HD13 :: 0.592 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 115.035 Ave N Shift Values>> N :: 121.46(4.28) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.46 I 0.04 V 0.01 HN Overlap>> 1.K10 1.K10 C Shift Assignments>> C :: 181.550 CA :: 55.453 CB :: 18.844 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.631 HA :: 4.084 HB1 :: 1.380 HB2 :: 1.380 HB3 :: 1.380 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.160 Ave N Shift Values>> N :: 123.23(3.54) 1.G49 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 :: 175.772 CA :: 46.799 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.462 HA2 :: 3.563 HA3 :: 3.783 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.053 Ave N Shift Values>> N :: 109.67(3.87) 1.L50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.72 A 0.26 C Shift Assignments>> C :: 176.329 CA :: 55.850 CB :: 41.168 CG :: 25.966 CD1 :: 24.330 CD2 :: 21.114 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.786 HA :: 3.761 HB2 :: 1.270 HB3 :: 0.059(S) HG :: 0.602 HD11 :: -0.145 HD12 :: -0.145 HD13 :: -0.145 HD21 :: -0.329(S) HD22 :: -0.329(S) HD23 :: -0.329(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.384 Ave N Shift Values>> N :: 121.86(3.9) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 E 0.16 K 0.01 C Shift Assignments>> C :: 177.189 CA :: 61.366 CB :: 28.774 CG :: 37.144 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.380 HA :: 3.422 HB2 :: 1.920 HB3 :: 1.800 HG2 :: 2.123 HG3 :: 2.319 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.955 Ave N Shift Values>> N :: 120.67(3.48) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.88 R 0.1 C Shift Assignments>> C :: 178.680 CA :: 59.704 CB :: 32.663 CG :: 25.289 CD :: 29.392 CE :: 41.653 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.729 HA :: 3.880 HB2 :: 1.758 HB3 :: 1.758 HG2 :: 1.606 HG3 :: 1.405 HD2 :: 1.683 HD3 :: 1.683 HE2 :: 2.919 HE3 :: 2.919 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.387 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.39 I 0.02 C Shift Assignments>> C :: 180.693 CA :: 54.758 CB :: 18.705 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.818 HA :: 4.128 HB1 :: 1.470 HB2 :: 1.470 HB3 :: 1.470 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.158 Ave N Shift Values>> N :: 123.23(3.54) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.D5 1.D5 C Shift Assignments>> C :: 177.570 CA :: 66.138 CB :: 31.435 CG1 :: 20.600 CG2 :: 23.778 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.367 HA :: 3.547 HB :: 2.367 HG11 :: 0.982 HG12 :: 0.982 HG13 :: 0.982 HG21 :: 0.604 HG22 :: 0.604 HG23 :: 0.604 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.288 Ave N Shift Values>> N :: 121.14(4.54) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.09 A 0.01 C Shift Assignments>> C :: 177.819 CA :: 57.298 CB :: 41.854 CG :: 27.268 CD1 :: 25.420 CD2 :: 22.438 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.669 HA :: 4.178 HB2 :: 1.875 HB3 :: 1.574 HG :: 2.004 HD11 :: 0.989 HD12 :: 0.989 HD13 :: 0.989 HD21 :: 0.959 HD22 :: 0.959 HD23 :: 0.959 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.340 Ave N Shift Values>> N :: 121.86(3.9) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.86 R 0.11 G 0.01 C Shift Assignments>> C :: 175.930 CA :: 55.623 CB :: 33.838 CG :: 24.470 CD :: 29.064 CE :: 42.075 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.161 HA :: 4.604 HB2 :: 2.013 HB3 :: 1.879 HG2 :: 1.591 HG3 :: 1.591 HD2 :: 1.733 HD3 :: 1.733 HE2 :: 3.039 HE3 :: 3.039 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.776 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 L 0.14 M 0.01 C Shift Assignments>> C :: 177.940 CA :: 52.530 CB :: 21.191 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.312 HA :: 4.547 HB1 :: 1.747 HB2 :: 1.747 HB3 :: 1.747 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.339 Ave N Shift Values>> N :: 123.23(3.54) 1.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.84 E 0.15 C Shift Assignments>> C :: 176.549 CA :: 54.674 CB :: 29.229 CG :: 33.773 CD :: 180.654 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.729 HA :: 4.474 HB2 :: 1.945 HB3 :: 2.015 HG2 :: 2.440 HG3 :: 2.440 HE21 :: 7.767 HE22 :: 6.901 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.755 NE2 :: 113.329 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.153 CA :: 63.471 CB :: 37.766 CG1 :: 29.036 CG2 :: 16.992 CD1 :: 13.186 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.780 HA :: 3.760 HB :: 1.787 HG12 :: 1.126 HG13 :: 1.794 HG21 :: 0.854 HG22 :: 0.854 HG23 :: 0.854 HD11 :: 1.039 HD12 :: 1.039 HD13 :: 1.039 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.573 Ave N Shift Values>> N :: 121.46(4.28) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 172.904 CA :: 45.601 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.067 HA2 :: 4.198 HA3 :: 3.399 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.619 Ave N Shift Values>> N :: 109.67(3.87) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 E 0.23 Q 0.12 C Shift Assignments>> C :: 175.501 CA :: 53.775 CB :: 32.021 CG :: 35.353 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.293 HA :: 4.623 HB2 :: 1.741 HB3 :: 2.047 HG2 :: 2.059 HG3 :: 2.257 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.391 Ave N Shift Values>> N :: 120.67(3.48) 1.W62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.88 H 0.11 C Shift Assignments>> C :: 176.458 CA :: 58.168 CB :: 29.578 CD1 :: 127.043 CE3 :: 128.925(S) CZ2 :: 114.257 CZ3 :: 128.284(S) CH2 :: 124.898 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.656 HA :: 4.574 HB2 :: 3.051 HB3 :: 2.973 HD1 :: 7.288 HE1 :: 10.037 HE3 :: 7.006 HZ2 :: 7.451 HZ3 :: 6.799 HH2 :: 7.050 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.176 NE1 :: 127.762 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.66 E 0.28 Q 0.04 C Shift Assignments>> C :: 174.322 CA :: 54.920 CB :: 33.294 CG :: 35.818 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.344 HA :: 4.628 HB2 :: 0.866(S) HB3 :: 1.646 HG2 :: 2.104 HG3 :: 2.205 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 126.782 Ave N Shift Values>> N :: 120.67(3.48) 1.E64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.61 E 0.37 C Shift Assignments>> C :: 176.220 CA :: 54.744 CB :: 33.509 CG :: 37.102 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.473 HA :: 5.797(S) HB2 :: 1.944 HB3 :: 2.114 HG2 :: 2.204 HG3 :: 2.291 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.981 Ave N Shift Values>> N :: 120.67(3.48) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.K140 1.K140 C Shift Assignments>> C :: 172.113 CA :: 60.213 CB :: 35.576 CG1 :: 21.167 CG2 :: 20.803 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.100 HA :: 4.814 HB :: 2.328 HG11 :: 1.058 HG12 :: 1.058 HG13 :: 1.058 HG21 :: 1.013 HG22 :: 1.013 HG23 :: 1.013 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.937 Ave N Shift Values>> N :: 121.14(4.54) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.028 CA :: 61.784 CB :: 32.698 CG1 :: 21.340 CG2 :: 21.790 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.563 HA :: 5.050 HB :: 1.946 HG11 :: 0.985 HG12 :: 0.985 HG13 :: 0.985 HG21 :: 0.777 HG22 :: 0.777 HG23 :: 0.777 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.350 Ave N Shift Values>> N :: 121.14(4.54) 1.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.855 CA :: 60.582 CB :: 40.486 CG1 :: 27.826 CG2 :: 19.836 CD1 :: 13.513 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.708 HA :: 4.338 HB :: 1.746 HG12 :: 0.853 HG13 :: 1.592 HG21 :: 1.024 HG22 :: 1.024 HG23 :: 1.024 HD11 :: 0.372 HD12 :: 0.372 HD13 :: 0.372 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 129.613 Ave N Shift Values>> N :: 121.46(4.28) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.11 C Shift Assignments>> C :: 176.121 CA :: 51.002 CB :: 17.906 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.659 HA :: 4.602 HB1 :: 1.522 HB2 :: 1.522 HB3 :: 1.522 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.268 Ave N Shift Values>> N :: 123.23(3.54) 1.P69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.515 CA :: 66.023 CB :: 31.557 CG :: 27.360 CD :: 49.859 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.364 HB2 :: 2.148 HB3 :: 1.700 HG2 :: 2.062 HG3 :: 2.062 HD2 :: 3.741 HD3 :: 3.850 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 E 0.31 K 0.04 Q 0.01 C Shift Assignments>> C :: 177.846 CA :: 60.193 CB :: 28.508 CG :: 36.877 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.725 HA :: 3.989 HB2 :: 2.025 HB3 :: 2.025 HG2 :: 2.283 HG3 :: 2.393 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.386 Ave N Shift Values>> N :: 120.67(3.48) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.68 M 0.24 I 0.03 K 0.02 Q 0.01 C Shift Assignments>> C :: 173.321 CA :: 55.695 CB :: 30.894 CG :: 37.214 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.603 HA :: 4.495 HB2 :: 1.854 HB3 :: 2.093 HG2 :: 2.053 HG3 :: 2.225 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.340 Ave N Shift Values>> N :: 120.67(3.48) 1.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.06 HN Overlap>> 1.L94 1.L94 C Shift Assignments>> C :: 176.037 CA :: 50.603 CB :: 18.674 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.724 HA :: 4.455 HB1 :: 1.342 HB2 :: 1.342 HB3 :: 1.342 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.081 Ave N Shift Values>> N :: 123.23(3.54) 1.Y73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.62 F 0.36 C Shift Assignments>> C :: 174.370 CA :: 59.950 CB :: 37.178 CD1 :: 132.552 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> HA :: 4.222 HB2 :: 2.818 HB3 :: 2.082 HD1 :: 6.691 HD2 :: 6.691 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.29 R 0.2 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 173.215 CA :: 44.247 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.254 HA2 :: 4.415 HA3 :: 3.665 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.903 Ave N Shift Values>> N :: 109.67(3.87) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.443 CA :: 61.755 CB :: 32.555 CG1 :: 21.678 CG2 :: 18.948 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.212 HA :: 4.041 HB :: 2.250 HG11 :: 1.004 HG12 :: 1.004 HG13 :: 1.004 HG21 :: 0.864 HG22 :: 0.864 HG23 :: 0.864 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 113.753 Ave N Shift Values>> N :: 121.14(4.54) 1.Y76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 F 0.43 C Shift Assignments>> C :: 175.204 CA :: 59.650 CB :: 39.134 CD1 :: 132.644 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.713 HA :: 3.918 HB2 :: 2.957 HB3 :: 2.499 HD1 :: 6.846 HD2 :: 6.846 HE1 :: 7.321 HE2 :: 7.321 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.957 Ave N Shift Values>> N :: 120.52(4.2) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.44 K 0.25 M 0.21 E 0.08 R 0.01 C Shift Assignments>> C :: 177.439 CA :: 54.061 CB :: 30.036 CG :: 33.932 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.566 HA :: 4.647 HB2 :: 1.354 HB3 :: 1.414 HG2 :: 1.882 HG3 :: 1.647 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 130.086 Ave N Shift Values>> N :: 120.67(3.48) 1.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.503 CA :: 61.818 CB :: 62.467 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.244 HA :: 4.151 HB2 :: 4.072 HB3 :: 4.072 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 126.314 Ave N Shift Values>> N :: 116.28(3.52) 1.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.G23 1.G23 C Shift Assignments>> C :: 175.312 CA :: 60.402 CB :: 62.892 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.753 HA :: 4.395 HB2 :: 3.956 HB3 :: 3.866 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.115 Ave N Shift Values>> N :: 116.28(3.52) 1.Y80 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.8 W 0.19 C Shift Assignments>> C :: 173.984 CA :: 55.477 CB :: 37.091 CD1 :: 118.228(S) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.390 HA :: 4.896 HB2 :: 3.299 HB3 :: 3.086 HD1 :: 6.823 HD2 :: 6.823 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.555 Ave N Shift Values>> N :: 120.52(4.2) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.03 G 0.01 A 0.01 C Shift Assignments>> C :: 176.122 CA :: 54.625 CB :: 42.100 CG :: 27.816 CD1 :: 24.374 CD2 :: 24.437 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.415 HA :: 5.321 HB2 :: 1.983 HB3 :: 1.608 HG :: 1.545 HD11 :: 0.954 HD12 :: 0.954 HD13 :: 0.954 HD21 :: 0.954 HD22 :: 0.954 HD23 :: 0.954 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.294 Ave N Shift Values>> N :: 121.86(3.9) 1.Q82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.88 E 0.1 C Shift Assignments>> C :: 173.655 CA :: 54.480 CB :: 32.914 CG :: 33.752 CD :: 179.882 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.242 HA :: 4.740 HB2 :: 2.201 HB3 :: 1.977 HG2 :: 2.409 HG3 :: 2.409 HE21 :: 7.373 HE22 :: 6.803 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.887 NE2 :: 110.886 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 M 0.34 I 0.02 C Shift Assignments>> C :: 176.402 CA :: 55.582 CB :: 31.474 CG :: 37.691 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.677 HA :: 5.228 HB2 :: 1.937 HB3 :: 1.847 HG2 :: 2.002 HG3 :: 2.165 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.086 Ave N Shift Values>> N :: 120.67(3.48) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 A 0.01 C Shift Assignments>> C :: 173.553 CA :: 58.962 CB :: 35.012 CG1 :: 20.854 CG2 :: 21.517 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.643 HA :: 5.006 HB :: 2.306 HG11 :: 1.123 HG12 :: 1.123 HG13 :: 1.123 HG21 :: 1.171 HG22 :: 1.171 HG23 :: 1.171 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.310 Ave N Shift Values>> N :: 121.14(4.54) 1.P85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.382 CA :: 63.534 CB :: 32.419 CG :: 28.410 CD :: 51.310 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.289 HB2 :: 2.390 HB3 :: 2.101 HG2 :: 2.262 HG3 :: 2.063 HD2 :: 3.763 HD3 :: 4.112 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.R86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.77 K 0.13 G 0.08 C Shift Assignments>> C :: 177.730 CA :: 58.516 CB :: 29.902 CG :: 27.811 CD :: 43.162 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.985 HA :: 4.009 HB2 :: 1.802 HB3 :: 1.334 HG2 :: 1.497 HG3 :: 1.633 HD2 :: 3.024 HD3 :: 3.024 HE :: 6.844 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.307 NE :: 83.810 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.25 D 0.19 N 0.12 L 0.11 I 0.03 C Shift Assignments>> C :: 177.564 CA :: 56.083 CB :: 39.525 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.522 HA :: 4.380 HB2 :: 2.793 HB3 :: 2.676 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.430 Ave N Shift Values>> N :: 120.65(3.86) 1.Q88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.82 E 0.17 C Shift Assignments>> C :: 175.827 CA :: 57.130 CB :: 28.101 CG :: 34.356 CD :: 179.571 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.669 HA :: 4.093 HB2 :: 1.817 HB3 :: 1.817 HG2 :: 2.167 HG3 :: 2.167 HE21 :: 7.491 HE22 :: 6.835 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.281 NE2 :: 111.854 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.31 F 0.3 D 0.13 L 0.09 N 0.07 I 0.06 C Shift Assignments>> C :: 174.884 CA :: 56.782 CB :: 39.368 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.965 HA :: 4.604 HB2 :: 3.399 HB3 :: 2.664 HD1 :: 7.104 HD2 :: 7.104 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.873 Ave N Shift Values>> N :: 120.45(4.18) 1.E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 K 0.15 I 0.13 Q 0.1 M 0.04 C Shift Assignments>> C :: 177.571 CA :: 58.380 CB :: 29.581 CG :: 36.022 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.378 HA :: 4.104 HB2 :: 2.083 HB3 :: 1.964 HG2 :: 2.264 HG3 :: 2.264 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.272 Ave N Shift Values>> N :: 120.67(3.48) 1.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> C :: 173.864 CA :: 45.387 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.924 HA2 :: 4.144 HA3 :: 3.731 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.973 Ave N Shift Values>> N :: 109.67(3.87) 1.I92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.436 CA :: 59.915 CB :: 39.451 CG1 :: 26.950 CG2 :: 17.447 CD1 :: 12.895 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.680 HA :: 4.253 HB :: 1.980 HG12 :: 1.409 HG13 :: 1.134 HG21 :: 0.845 HG22 :: 0.845 HG23 :: 0.845 HD11 :: 0.903 HD12 :: 0.903 HD13 :: 0.903 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.781 Ave N Shift Values>> N :: 121.46(4.28) 1.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 K 0.22 Q 0.18 I 0.04 M 0.02 R 0.01 C Shift Assignments>> C :: 175.094 CA :: 55.470 CB :: 28.646 CG :: 35.919 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.537 HA :: 4.240 HB2 :: 1.955 HB3 :: 1.876 HG2 :: 2.181 HG3 :: 2.181 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.294 Ave N Shift Values>> N :: 120.67(3.48) 1.L94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.73 R 0.12 A 0.09 G 0.04 HN Overlap>> 1.A72 1.A72 C Shift Assignments>> C :: 175.610 CA :: 54.848 CB :: 42.527 CG :: 26.231 CD1 :: 22.817 CD2 :: 26.321 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.706 HA :: 4.044 HB2 :: 0.214(S) HB3 :: 0.679 HG :: 1.360 HD11 :: 0.351 HD12 :: 0.351 HD13 :: 0.351 HD21 :: 0.285 HD22 :: 0.285 HD23 :: 0.285 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.052 Ave N Shift Values>> N :: 121.86(3.9) 1.E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 E 0.28 Q 0.03 C Shift Assignments>> C :: 175.542 CA :: 54.828 CB :: 33.705 CG :: 35.984 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.061 HA :: 4.616 HB2 :: 1.974 HB3 :: 1.847 HG2 :: 2.235 HG3 :: 2.235 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.147 Ave N Shift Values>> N :: 120.67(3.48) 1.K96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.34 HN Overlap>> 1.A12 1.A12 C Shift Assignments>> C :: 177.668 CA :: 59.359 CB :: 32.049 CG :: 26.605 CD :: 29.444 CE :: 41.654 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.173 HA :: 3.789 HB2 :: 1.772 HB3 :: 1.772 HG2 :: 1.205 HG3 :: 1.567 HD2 :: 1.721 HD3 :: 1.721 HE2 :: 2.901 HE3 :: 2.901 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.229 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.13 R 0.02 F 0.01 C Shift Assignments>> C :: 173.799 CA :: 45.083 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.387 HA2 :: 4.330 HA3 :: 3.521 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.936 Ave N Shift Values>> N :: 109.67(3.87) 1.M98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.8 A 0.18 C Shift Assignments>> C :: 174.332 CA :: 56.030 CB :: 34.673 CG :: 31.398 CE :: 17.287 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.463 HA :: 4.401 HB2 :: 2.298 HB3 :: 1.992 HG2 :: 2.674 HG3 :: 2.352 HE1 :: 2.115 HE2 :: 2.115 HE3 :: 2.115 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.943 Ave N Shift Values>> N :: 120.09(3.57) 1.S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.058 CA :: 58.005 CB :: 64.587 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.483 HA :: 5.205 HB2 :: 3.693 HB3 :: 3.541 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.303 Ave N Shift Values>> N :: 116.28(3.52) 1.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 C Shift Assignments>> C :: 174.172 CA :: 59.996 CB :: 35.182 CG1 :: 21.887 CG2 :: 19.249 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.611 HA :: 4.427 HB :: 2.060 HG11 :: 0.793 HG12 :: 0.793 HG13 :: 0.793 HG21 :: 0.631 HG22 :: 0.631 HG23 :: 0.631 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.564 Ave N Shift Values>> N :: 121.14(4.54) 1.F101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 Y 0.45 HN Overlap>> 1.V19 1.V19 C Shift Assignments>> C :: 176.301 CA :: 57.251 CB :: 40.846 CD1 :: 131.555 CE1 :: 131.468 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.633 HA :: 5.248 HB2 :: 3.107 HB3 :: 2.963 HD1 :: 7.208 HD2 :: 7.208 HE1 :: 7.305 HE2 :: 7.305 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.007 Ave N Shift Values>> N :: 120.45(4.18) 1.G102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.25 R 0.13 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.717 CA :: 44.470 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.807 HA2 :: 4.464 HA3 :: 3.889 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.270 Ave N Shift Values>> N :: 109.67(3.87) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.76 E 0.23 C Shift Assignments>> C :: 176.746 CA :: 54.767 CB :: 31.850 CG :: 34.076 CD :: 180.516 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.488 HA :: 5.246 HB2 :: 2.101 HB3 :: 1.956 HG2 :: 2.320 HG3 :: 2.320 HE21 :: 6.721 HE22 :: 7.422 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.190 NE2 :: 111.555 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.397 CA :: 60.838 CB :: 71.107 CG2 :: 22.018 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.698 HA :: 4.554 HB :: 4.554 HG21 :: 1.150 HG22 :: 1.150 HG23 :: 1.150 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.292 Ave N Shift Values>> N :: 115.42(4.75) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 I 0.18 K 0.11 Q 0.06 M 0.04 C Shift Assignments>> C :: 176.488 CA :: 58.578 CB :: 29.576 CG :: 36.341 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.031 HA :: 4.175 HB2 :: 2.062 HB3 :: 2.062 HG2 :: 2.302 HG3 :: 2.302 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.295 Ave N Shift Values>> N :: 120.67(3.48) 1.D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.33 L 0.13 F 0.1 Y 0.08 HN Overlap>> 1.S30 1.S30 C Shift Assignments>> C :: 175.312 CA :: 53.684 CB :: 39.952 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.081 HA :: 4.665 HB2 :: 2.746 HB3 :: 2.665 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.516 Ave N Shift Values>> N :: 120.65(3.86) 1.N107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.75 D 0.19 E 0.03 C Shift Assignments>> C :: 174.643 CA :: 54.593 CB :: 37.353 CG :: 178.046 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.106 HA :: 4.362 HB2 :: 3.020 HB3 :: 2.830 HD21 :: 7.521 HD22 :: 6.817 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.586 ND2 :: 112.321 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.77 E 0.22 C Shift Assignments>> C :: 175.766 CA :: 55.213 CB :: 29.902 CG :: 33.947 CD :: 180.630 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.888 HA :: 4.557 HB2 :: 2.113 HB3 :: 1.966 HG2 :: 2.304 HG3 :: 2.211 HE21 :: 7.635 HE22 :: 6.846 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.532 NE2 :: 113.363 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.369 CA :: 62.618 CB :: 69.798 CG2 :: 22.064 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.568 HA :: 4.821 HB :: 4.096 HG21 :: 1.257 HG22 :: 1.257 HG23 :: 1.257 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.799 Ave N Shift Values>> N :: 115.42(4.75) 1.I110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.Q111 1.Q111 C Shift Assignments>> C :: 174.188 CA :: 60.074 CB :: 41.040 CG1 :: 27.031 CG2 :: 17.688 CD1 :: 13.323 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.627 HA :: 4.565 HB :: 1.805 HG12 :: 1.450 HG13 :: 1.081 HG21 :: 0.893 HG22 :: 0.893 HG23 :: 0.893 HD11 :: 0.737 HD12 :: 0.737 HD13 :: 0.737 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.899 Ave N Shift Values>> N :: 121.46(4.28) 1.Q111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.79 E 0.19 HN Overlap>> 1.I110 1.I110 C Shift Assignments>> C :: 173.784 CA :: 55.362 CB :: 30.722 CG :: 34.065 CD :: 180.061 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.559 HA :: 4.607 HB2 :: 1.918 HB3 :: 1.918 HG2 :: 2.043 HG3 :: 1.875 HE21 :: 7.280 HE22 :: 6.753 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.944 NE2 :: 111.185 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 L 0.35 K 0.01 C Shift Assignments>> C :: 175.565 CA :: 50.247 CB :: 22.598 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.584 HA :: 4.612 HB1 :: 0.590 HB2 :: 0.590 HB3 :: 0.590 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.745 Ave N Shift Values>> N :: 123.23(3.54) 1.I113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 A 0.03 C Shift Assignments>> C :: 176.527 CA :: 58.408 CB :: 41.311 CG1 :: 27.350 CG2 :: 17.475 CD1 :: 12.313 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.849 HA :: 4.923 HB :: 1.664 HG12 :: 1.391 HG13 :: 1.174 HG21 :: 0.727 HG22 :: 0.727 HG23 :: 0.727 HD11 :: 0.736 HD12 :: 0.736 HD13 :: 0.736 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.262 Ave N Shift Values>> N :: 121.46(4.28) 1.I114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.561 CA :: 60.735 CB :: 36.371 CG1 :: 27.223 CG2 :: 17.747 CD1 :: 12.227 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.587 HA :: 4.115 HB :: 2.194 HG12 :: 1.348 HG13 :: 1.059 HG21 :: 0.739 HG22 :: 0.739 HG23 :: 0.739 HD11 :: 0.430 HD12 :: 0.430 HD13 :: 0.430 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.705 Ave N Shift Values>> N :: 121.46(4.28) 1.K115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.85 R 0.13 C Shift Assignments>> C :: 175.894 CA :: 56.262 CB :: 33.816 CG :: 24.840 CD :: 28.415 CE :: 41.706 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.073 HA :: 4.439 HB2 :: 1.790 HB3 :: 1.648 HG2 :: 1.461 HG3 :: 1.540 HD2 :: 1.713 HD3 :: 1.713 HE2 :: 3.018 HE3 :: 3.018 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 130.813 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.21 D 0.19 G 0.13 K 0.03 F 0.03 N 0.01 Y 0.01 C Shift Assignments>> C :: 173.804 CA :: 52.828 CB :: 43.363 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.005 HA :: 4.514 HB2 :: 2.702 HB3 :: 2.488 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 113.898 Ave N Shift Values>> N :: 120.65(3.86) 1.F117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 Y 0.46 C Shift Assignments>> C :: 172.926 CA :: 56.895 CB :: 41.067 CD1 :: 132.093 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.713 HA :: 5.154 HB2 :: 3.389 HB3 :: 3.136 HD1 :: 6.776 HD2 :: 6.776 HE1 :: 7.065 HE2 :: 7.065 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.122 Ave N Shift Values>> N :: 120.45(4.18) 1.S118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.67 T 0.32 C Shift Assignments>> C :: 174.461 CA :: 55.423 CB :: 67.199 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.538 HA :: 4.964 HB2 :: 4.505 HB3 :: 3.904 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.971 Ave N Shift Values>> N :: 116.28(3.52) 1.A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.36 I 0.02 L 0.01 V 0.01 C Shift Assignments>> C :: 178.968 CA :: 55.040 CB :: 19.067 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.812 HA :: 4.282 HB1 :: 1.576 HB2 :: 1.576 HB3 :: 1.576 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.766 Ave N Shift Values>> N :: 123.23(3.54) 1.T120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.891 CA :: 62.179 CB :: 69.897 CG2 :: 20.940 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.113 HA :: 4.454 HB :: 4.235 HG21 :: 1.177 HG22 :: 1.177 HG23 :: 1.177 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 102.350 Ave N Shift Values>> N :: 115.42(4.75) 1.H121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 H 0.23 W 0.1 C Shift Assignments>> C :: 172.520 CA :: 57.293 CB :: 35.965 CD2 :: 118.076 CE1 :: 138.790 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.103 HA :: 5.290 HB2 :: 2.914 HB3 :: 2.767 HD2 :: 6.545 HE1 :: 7.716 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 123.647 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.868 CA :: 61.391 CB :: 34.963 CG1 :: 22.583 CG2 :: 22.728 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.696 HA :: 4.369 HB :: 1.861 HG11 :: 0.697 HG12 :: 0.697 HG13 :: 0.697 HG21 :: 0.697 HG22 :: 0.697 HG23 :: 0.697 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.266 Ave N Shift Values>> N :: 121.14(4.54) 1.M123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.32 C Shift Assignments>> C :: 174.594 CA :: 53.900 CB :: 31.936 CG :: 31.785 CE :: 16.664 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.759 HA :: 5.348 HB2 :: 2.547 HB3 :: 2.466 HG2 :: 1.962 HG3 :: 1.962 HE1 :: 1.979 HE2 :: 1.979 HE3 :: 1.979 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 126.988 Ave N Shift Values>> N :: 120.09(3.57) 1.V124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.259 CA :: 60.581 CB :: 33.834 CG1 :: 21.120 CG2 :: 22.427 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.321 HA :: 4.614 HB :: 1.841 HG11 :: 0.861 HG12 :: 0.861 HG13 :: 0.861 HG21 :: 0.554 HG22 :: 0.554 HG23 :: 0.554 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.068 Ave N Shift Values>> N :: 121.14(4.54) 1.D125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.26 R 0.1 D 0.07 F 0.01 C Shift Assignments>> C :: 177.491 CA :: 52.624 CB :: 44.292 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.053 HA :: 5.378 HB2 :: 3.118 HB3 :: 2.299 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.714 Ave N Shift Values>> N :: 120.65(3.86) 1.Y126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.R138 1.R138 C Shift Assignments>> C :: 176.695 CA :: 58.766 CB :: 37.871 CD1 :: 133.401 CE1 :: 117.886 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.949 HA :: 4.642 HB2 :: 3.182 HB3 :: 2.820 HD1 :: 7.149 HD2 :: 7.149 HE1 :: 6.538 HE2 :: 6.538 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 124.618 Ave N Shift Values>> N :: 120.52(4.2) 1.N127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 F 0.18 N 0.17 Y 0.16 L 0.15 I 0.01 K 0.01 C Shift Assignments>> C :: 175.746 CA :: 55.199 CB :: 39.949 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.774 HA :: 4.358 HB2 :: 2.340 HB3 :: 2.951 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.238 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.57 W 0.42 C Shift Assignments>> C :: 176.322 CA :: 57.346 CB :: 31.305 CD2 :: 118.022 CE1 :: 137.376 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.174 HA :: 4.429 HB2 :: 3.445 HB3 :: 2.880 HD2 :: 7.211 HE1 :: 6.689 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 125.101 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P129 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.916 CA :: 65.182 CB :: 32.130 CG :: 27.600 CD :: 50.196 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.300 HB2 :: 2.250 HB3 :: 1.715 HG2 :: 1.689 HG3 :: 1.713 HD2 :: 3.400 HD3 :: 2.014(S) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L130 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.91 A 0.07 C Shift Assignments>> C :: 177.982 CA :: 53.323 CB :: 40.984 CD1 :: 23.479 CD2 :: 25.301 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 11.534(S) HA :: 4.503 HB2 :: 1.535 HB3 :: 1.535 HG :: 1.662 HD11 :: 0.765 HD12 :: 0.765 HD13 :: 0.765 HD21 :: 0.721 HD22 :: 0.721 HD23 :: 0.721 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.105 Ave N Shift Values>> N :: 121.86(3.9) 1.A131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.23 C Shift Assignments>> C :: 179.452 CA :: 53.968 CB :: 19.064 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.532 HA :: 4.183 HB1 :: 1.569 HB2 :: 1.569 HB3 :: 1.569 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.124 Ave N Shift Values>> N :: 123.23(3.54) 1.G132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 173.498 CA :: 46.064 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.641 HA2 :: 3.820 HA3 :: 4.344 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.465 Ave N Shift Values>> N :: 109.67(3.87) 1.K133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.84 R 0.14 C Shift Assignments>> C :: 175.591 CA :: 56.224 CB :: 34.496 CG :: 24.854 CD :: 29.300 CE :: 41.875 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.524 HA :: 4.619 HB2 :: 1.941 HB3 :: 1.941 HG2 :: 1.513 HG3 :: 1.333 HD2 :: 1.719 HD3 :: 1.719 HE2 :: 3.035 HE3 :: 3.035 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.279 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.370 CA :: 63.131 CB :: 68.867 CG2 :: 21.768 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.072 HA :: 4.674 HB :: 4.113 HG21 :: 1.048 HG22 :: 1.048 HG23 :: 1.048 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.802 Ave N Shift Values>> N :: 115.42(4.75) 1.L135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.23 A 0.11 C Shift Assignments>> C :: 174.103 CA :: 53.678 CB :: 45.367 CG :: 26.645 CD1 :: 23.012 CD2 :: 22.437 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.692 HA :: 4.898 HB2 :: 1.245 HB3 :: 1.776 HG :: 1.852 HD11 :: 0.713 HD12 :: 0.713 HD13 :: 0.713 HD21 :: 0.713 HD22 :: 0.713 HD23 :: 0.713 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.770 Ave N Shift Values>> N :: 121.86(3.9) 1.A136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 M 0.02 C Shift Assignments>> C :: 176.488 CA :: 50.707 CB :: 19.810 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.463 HA :: 5.279 HB1 :: 1.343 HB2 :: 1.343 HB3 :: 1.343 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.388 Ave N Shift Values>> N :: 123.23(3.54) 1.F137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.25 F 0.1 G 0.07 Y 0.06 K 0.06 D 0.04 C Shift Assignments>> C :: 175.904 CA :: 57.376 CB :: 43.502 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.501 HA :: 5.444 HB2 :: 3.228 HB3 :: 2.838 HD1 :: 6.997 HD2 :: 6.997 HE1 :: 7.125 HE2 :: 7.125 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.516 Ave N Shift Values>> N :: 120.45(4.18) 1.R138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 K 0.43 G 0.08 HN Overlap>> 1.Y126 1.Y126 C Shift Assignments>> C :: 175.515 CA :: 55.452 CB :: 32.534 CG :: 28.610 CD :: 43.171 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.004 HA :: 5.728 HB2 :: 2.029 HB3 :: 1.825 HG2 :: 1.608 HG3 :: 1.719 HD2 :: 2.955 HD3 :: 3.029 HE :: 7.266 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.535 NE :: 84.011 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.F139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.31 G 0.12 F 0.07 D 0.05 Y 0.04 K 0.02 C Shift Assignments>> C :: 170.558 CA :: 56.556 CB :: 43.828 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.715 HA :: 6.277 HB2 :: 3.022 HB3 :: 3.281 HD1 :: 6.891 HD2 :: 6.891 HE1 :: 7.034 HE2 :: 7.034 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.861 Ave N Shift Values>> N :: 120.45(4.18) 1.K140 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.93 A 0.05 HN Overlap>> 1.V65 1.V65 C Shift Assignments>> C :: 174.987 CA :: 54.536 CB :: 35.230 CG :: 24.008 CD :: 28.825 CE :: 40.614 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.046 HA :: 4.241 HB2 :: 0.521(S) HB3 :: -0.266(S) HG2 :: 0.397(S) HG3 :: 0.397(S) HD2 :: 0.661(S) HD3 :: 0.838(S) HE2 :: 1.686(S) HE3 :: 2.074(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.884 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.781 CA :: 62.113 CB :: 32.000 CG1 :: 23.375 CG2 :: 21.567 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 10.076 HA :: 4.306 HB :: 2.033 HG11 :: 1.305 HG12 :: 1.305 HG13 :: 1.305 HG21 :: 0.647 HG22 :: 0.647 HG23 :: 0.647 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.283 Ave N Shift Values>> N :: 121.14(4.54) 1.L142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 R 0.13 A 0.02 C Shift Assignments>> C :: 178.290 CA :: 56.002 CB :: 41.877 CG :: 27.983 CD1 :: 25.331 CD2 :: 23.277 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.246 HA :: 4.210 HB2 :: 1.495 HB3 :: 1.495 HG :: 1.546 HD11 :: 0.815 HD12 :: 0.815 HD13 :: 0.815 HD21 :: 0.736 HD22 :: 0.736 HD23 :: 0.736 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.678 Ave N Shift Values>> N :: 121.86(3.9) 1.G143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.15 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 169.106 CA :: 44.984 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.073 HA2 :: 4.184 HA3 :: 3.706 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.732 Ave N Shift Values>> N :: 109.67(3.87) 1.F144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.31 D 0.07 F 0.07 G 0.06 K 0.05 Y 0.04 C Shift Assignments>> C :: 175.687 CA :: 56.266 CB :: 43.524 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.327 HA :: 5.537 HB2 :: 2.987 HB3 :: 2.715 HD1 :: 7.045 HD2 :: 7.045 HE1 :: 6.896 HE2 :: 6.896 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.124 Ave N Shift Values>> N :: 120.45(4.18) 1.R145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.65 G 0.17 K 0.16 C Shift Assignments>> C :: 174.263 CA :: 54.691 CB :: 33.634 CG :: 26.863 CD :: 43.304 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.048 HA :: 4.773 HB2 :: 1.727 HB3 :: 1.727 HG2 :: 1.458 HG3 :: 1.316 HD2 :: 3.001 HD3 :: 3.126 HE :: 7.755 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.522 NE :: 85.101 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.69 M 0.16 K 0.05 I 0.04 Q 0.03 C Shift Assignments>> C :: 176.469 CA :: 56.374 CB :: 30.467 CG :: 36.809 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.651 HA :: 4.612 HB2 :: 1.941 HB3 :: 1.941 HG2 :: 2.138 HG3 :: 2.327 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.996 Ave N Shift Values>> N :: 120.67(3.48) 1.V147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.400 CA :: 61.729 CB :: 33.047 CG1 :: 21.221 CG2 :: 21.159 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.447 HA :: 4.157 HB :: 1.869 HG11 :: 0.872 HG12 :: 0.872 HG13 :: 0.872 HG21 :: 0.758 HG22 :: 0.758 HG23 :: 0.758 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.408 Ave N Shift Values>> N :: 121.14(4.54) 1.S148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.609 CA :: 57.734 CB :: 64.384 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.499 HA :: 4.626 HB2 :: 3.859 HB3 :: 3.903 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.217 Ave N Shift Values>> N :: 116.28(3.52) 1.E149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.64 M 0.17 K 0.06 Q 0.06 I 0.04 C Shift Assignments>> C :: 176.270 CA :: 56.800 CB :: 30.491 CG :: 36.440 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.688 HA :: 4.318 HB2 :: 1.931 HB3 :: 2.085 HG2 :: 2.264 HG3 :: 2.264 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.459 Ave N Shift Values>> N :: 120.67(3.48) 1.E150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 M 0.21 Q 0.06 K 0.05 I 0.03 C Shift Assignments>> C :: 175.615 CA :: 56.489 CB :: 30.665 CG :: 36.357 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.405 HA :: 4.314 HB2 :: 2.095 HB3 :: 1.903 HG2 :: 2.263 HG3 :: 2.263 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.455 Ave N Shift Values>> N :: 120.67(3.48) 1.E151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.69 M 0.16 I 0.09 K 0.02 Q 0.01 C Shift Assignments>> C :: 181.157 CA :: 58.224 CB :: 30.915 CG :: 36.955 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.928 HA :: 4.093 HB2 :: 1.909 HB3 :: 2.041 HG2 :: 2.226 HG3 :: 2.226 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.156 Ave N Shift Values>> N :: 120.67(3.48) ########################################################################### Overall Results: #Consistent: 140 #Clerical: 0 #Suspicious: 11 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 150 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 151 #Suspicious: 0 C Shift Results: #Consistent: 652 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent:1062 #Duplicate: 0 #Unknown: 0 #Suspicious: 21 #Anomalous: 0 N Shift Results: #Consistent: 161 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E38 HA = 5.728(S), Expected = 4.25, Std = 0.4100, ChiSquare = 3.1230e-04 1.I46 HD11 = -0.364(S), Expected = 0.68, Std = 0.2900, ChiSquare = 3.1822e-04 1.I46 HD12 = -0.364(S), Expected = 0.68, Std = 0.2900, ChiSquare = 3.1822e-04 1.I46 HD13 = -0.364(S), Expected = 0.68, Std = 0.2900, ChiSquare = 3.1822e-04 1.L50 HB3 = 0.059(S), Expected = 1.52, Std = 0.3600, ChiSquare = 4.9424e-05 1.L50 HD21 = -0.329(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.6049e-04 1.L50 HD22 = -0.329(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.6049e-04 1.L50 HD23 = -0.329(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.6049e-04 1.W62 CE3 = 128.925(S), Expected = 120.43, Std = 1.7900, ChiSquare = 2.0767e-06 1.W62 CZ3 = 128.284(S), Expected = 121.35, Std = 1.5300, ChiSquare = 5.8421e-06 1.E63 HB2 = 0.866(S), Expected = 2.02, Std = 0.2100, ChiSquare = 3.9018e-08 1.E64 HA = 5.797(S), Expected = 4.25, Std = 0.4100, ChiSquare = 1.6119e-04 1.Y80 Typing: Suspicious 1.Y80 CD1 = 118.228(S), Expected = 132.77, Std = 1.1700, ChiSquare = 1.8176e-35 1.L94 HB2 = 0.214(S), Expected = 1.61, Std = 0.3400, ChiSquare = 4.0277e-05 1.P129 HD3 = 2.014(S), Expected = 3.61, Std = 0.3900, ChiSquare = 4.2710e-05 1.L130 H = 11.534(S), Expected = 8.23, Std = 0.6500, ChiSquare = 3.7137e-07 1.K140 HB2 = 0.521(S), Expected = 1.78, Std = 0.2500, ChiSquare = 4.7536e-07 1.K140 HB3 = -0.266(S), Expected = 1.74, Std = 0.2700, ChiSquare = 1.0890e-13 1.K140 HG2 = 0.397(S), Expected = 1.37, Std = 0.2600, ChiSquare = 1.8234e-04 1.K140 HG3 = 0.397(S), Expected = 1.35, Std = 0.2800, ChiSquare = 6.6511e-04 1.K140 HD2 = 0.661(S), Expected = 1.61, Std = 0.2200, ChiSquare = 1.6059e-05 1.K140 HD3 = 0.838(S), Expected = 1.60, Std = 0.2200, ChiSquare = 5.3293e-04 1.K140 HE2 = 1.686(S), Expected = 2.92, Std = 0.1900, ChiSquare = 8.3179e-11 1.K140 HE3 = 2.074(S), Expected = 2.91, Std = 0.2000, ChiSquare = 2.9151e-05