Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.012 CA :: 45.391 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.956 HA3 :: 3.956 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.17 M 0.03 HN Overlap>> 1.H114 1.V61 1.H114 1.V61 C Shift Assignments>> C :: 176.164 CA :: 56.268 CB :: 33.009 CG :: 24.563 CD :: 29.006 CE :: 42.089 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.140 HA :: 4.266 HB2 :: 1.674 HB3 :: 1.731 HG2 :: 1.366 HG3 :: 1.327 HD2 :: 1.639 HD3 :: 1.639 HE2 :: 2.970 HE3 :: 2.970 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.512 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.19 C 0.15 Y 0.08 F 0.06 L 0.04 E 0.01 C Shift Assignments>> C :: 174.500 CA :: 53.181 CB :: 38.893 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.394 HA :: 4.637 HB2 :: 2.650 HB3 :: 2.739 HD21 :: 7.560 HD22 :: 6.902 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.178 ND2 :: 112.949 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 C 0.42 HN Overlap>> 1.V61 1.V61 C Shift Assignments>> C :: 174.707 CA :: 57.540 CB :: 39.653 CD1 :: 131.772 CD2 :: 131.772 CE1 :: 131.507 CE2 :: 131.507 CZ :: 129.777 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.149 HA :: 4.577 HB2 :: 2.963 HB3 :: 3.049 HD1 :: 7.203 HD2 :: 7.203 HE1 :: 7.323 HE2 :: 7.323 HZ :: 7.299 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.658 Ave N Shift Values>> N :: 120.69(4.18) 1.N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.18 C 0.15 Y 0.03 F 0.03 L 0.02 C Shift Assignments>> C :: 171.891 CA :: 51.078 CB :: 39.054 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.339 HA :: 4.915 HB2 :: 2.523 HB3 :: 2.676 HD21 :: 7.539 HD22 :: 6.892 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.076 ND2 :: 113.246 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.64 C 0.34 C Shift Assignments>> CA :: 61.497 CB :: 30.887 CG :: 27.242 CD :: 50.378 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.545 HB2 :: 2.291 HB3 :: 1.903 HG2 :: 1.966 HG3 :: 1.966 HD2 :: 3.581 HD3 :: 3.548 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.19 C Shift Assignments>> C :: 176.993 CA :: 63.013 CB :: 32.035 CG :: 27.340 CD :: 50.493 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.451 HB2 :: 2.271 HB3 :: 1.913 HG2 :: 2.017 HG3 :: 2.017 HD2 :: 3.665 HD3 :: 3.765 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 HN Overlap>> 1.T66 1.T66 C Shift Assignments>> C :: 174.272 CA :: 61.729 CB :: 69.803 CG2 :: 21.670 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.179 HA :: 4.235 HB :: 4.131 HG21 :: 1.159 HG22 :: 1.159 HG23 :: 1.159 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.541 Ave N Shift Values>> N :: 115.7(5.05) 1.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.13 G 0.05 C Shift Assignments>> C :: 175.956 CA :: 55.868 CB :: 30.977 CG :: 26.990 CD :: 43.203 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.332 HA :: 4.271 HB2 :: 1.691 HB3 :: 1.780 HG2 :: 1.551 HG3 :: 1.551 HD2 :: 3.132 HD3 :: 3.132 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.700 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.39 C 0.34 K 0.23 G 0.01 HN Overlap>> 1.A132 1.A132 C Shift Assignments>> C :: 176.322 CA :: 56.243 CB :: 30.849 CG :: 27.066 CD :: 42.266 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.337 HA :: 4.095 HB2 :: 1.372 HB3 :: 1.313 HG2 :: 1.001 HG3 :: 0.871 HD2 :: 2.164(S) HD3 :: 2.446 HE :: 7.247 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.077 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 C 0.17 D 0.14 Y 0.07 F 0.05 L 0.02 E 0.01 M 0.01 C Shift Assignments>> C :: 174.044 CA :: 52.929 CB :: 38.348 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.512 HA :: 4.705 HB2 :: 2.827 HB3 :: 2.953 HD21 :: 6.893 HD22 :: 7.624 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.335 ND2 :: 111.683 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.W18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 C 0.42 H 0.07 C Shift Assignments>> C :: 174.498 CA :: 55.147 CB :: 30.689 CD1 :: 128.454 CE3 :: 121.733 CZ2 :: 114.038 CZ3 :: 121.555 CH2 :: 124.098 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.208 HA :: 4.832 HB2 :: 3.331 HB3 :: 3.278 HD1 :: 7.265 HE1 :: 10.978 HE3 :: 7.651 HZ2 :: 7.122 HZ3 :: 7.140 HH2 :: 6.851 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 118.030 NE1 :: 131.612 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.12 K 0.07 Q 0.04 I 0.03 C Shift Assignments>> C :: 175.351 CA :: 56.216 CB :: 30.457 CG :: 36.272 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.821 HA :: 4.205 HB2 :: 1.951 HB3 :: 2.036 HG2 :: 2.193 HG3 :: 2.253 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.939 Ave N Shift Values>> N :: 120.68(3.68) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.379 CA :: 56.769 CB :: 65.350 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.369 HA :: 4.968 HB2 :: 3.818 HB3 :: 3.909 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.998 Ave N Shift Values>> N :: 116.3(3.95) 1.N21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.16 C 0.16 Y 0.07 F 0.05 L 0.02 E 0.01 C Shift Assignments>> C :: 173.552 CA :: 52.879 CB :: 38.621 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.054 HA :: 5.029 HB2 :: 2.968 HB3 :: 2.968 HD21 :: 7.630 HD22 :: 6.966 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 124.619 ND2 :: 112.335 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 Y 0.43 G 0.12 C Shift Assignments>> C :: 174.328 CA :: 60.694 CB :: 42.859 CE1 :: 118.450 CE2 :: 118.450 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.144 HA :: 4.160 HB2 :: 2.773 HB3 :: 2.882 HD1 :: 6.164 HD2 :: 6.164 HE1 :: 6.560 HE2 :: 6.560 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.960 Ave N Shift Values>> N :: 120.79(4.69) 1.F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 C 0.45 C Shift Assignments>> C :: 176.159 CA :: 59.322 CB :: 38.608 CD1 :: 132.056 CD2 :: 132.056 CE1 :: 131.430 CE2 :: 131.430 CZ :: 130.904 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.318 HA :: 4.155 HB2 :: 2.362 HB3 :: 3.211 HD1 :: 7.592 HD2 :: 7.592 HE1 :: 7.028 HE2 :: 7.028 HZ :: 7.273 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.489 Ave N Shift Values>> N :: 120.69(4.18) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 173.971 CA :: 45.434 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.546 HA2 :: 4.015 HA3 :: 4.015 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.509 Ave N Shift Values>> N :: 109.91(4.29) 1.M25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.29 C 0.19 C Shift Assignments>> C :: 173.032 CA :: 51.680 CB :: 32.189 CG :: 30.904 CE :: 17.656 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.260 HA :: 4.896 HB2 :: 1.961 HB3 :: 2.409 HG2 :: 1.709 HG3 :: 1.762 HE1 :: 2.081 HE2 :: 2.081 HE3 :: 2.081 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.707 Ave N Shift Values>> N :: 120.1(3.88) 1.P26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 177.143 CA :: 62.843 CB :: 32.103 CG :: 28.168 CD :: 50.073 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.170 HB2 :: 1.763 HB3 :: 2.279 HG2 :: 2.111 HG3 :: 1.935 HD2 :: 3.669 HD3 :: 3.177 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.33 R 0.09 G 0.05 C Shift Assignments>> C :: 178.596 CA :: 58.031 CB :: 42.851 CG :: 26.443 CD1 :: 24.536 CD2 :: 25.872 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.607 HA :: 3.749 HB2 :: 1.740 HB3 :: 1.598 HG :: 1.691 HD11 :: 1.101 HD12 :: 1.101 HD13 :: 1.101 HD21 :: 0.952 HD22 :: 0.952 HD23 :: 0.952 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.300 Ave N Shift Values>> N :: 121.98(4.07) 1.Q28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.23 K 0.23 E 0.09 R 0.08 I 0.02 M 0.01 C Shift Assignments>> C :: 176.362 CA :: 58.560 CB :: 27.964 CG :: 33.812 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.697 HA :: 3.974 HB2 :: 2.038 HB3 :: 2.086 HG2 :: 2.327 HG3 :: 2.378 HE21 :: 7.252 HE22 :: 6.826 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 111.537 NE2 :: 111.851 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 F 0.15 Y 0.14 C 0.14 L 0.14 N 0.08 K 0.07 I 0.01 C Shift Assignments>> C :: 177.234 CA :: 55.657 CB :: 40.355 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.721 HA :: 4.656 HB2 :: 2.722 HB3 :: 2.722 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.964 Ave N Shift Values>> N :: 120.73(4.2) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.4 L 0.21 C 0.19 G 0.15 R 0.02 C Shift Assignments>> C :: 176.543 CA :: 54.173 CB :: 43.625 CG :: 25.661 CD1 :: 25.668 CD2 :: 20.582 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.801 HA :: 4.468 HB2 :: 1.804 HB3 :: 1.546 HG :: 1.599 HD11 :: 0.615 HD12 :: 0.615 HD13 :: 0.615 HD21 :: 0.153 HD22 :: 0.153 HD23 :: 0.153 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.483 Ave N Shift Values>> N :: 121.98(4.07) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 V 0.12 I 0.02 A 0.01 C Shift Assignments>> C :: 174.175 CA :: 59.134 CB :: 35.588 CG1 :: 21.141 CG2 :: 18.030 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.045 HA :: 4.949 HB :: 2.409 HG11 :: 0.712 HG12 :: 0.712 HG13 :: 0.712 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 110.305 Ave N Shift Values>> N :: 121.02(4.96) 1.T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 T 0.43 C Shift Assignments>> C :: 175.505 CA :: 59.424 CB :: 73.207 CG2 :: 22.083 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.833 HA :: 4.775 HB :: 4.632 HG21 :: 1.222 HG22 :: 1.222 HG23 :: 1.222 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.289 Ave N Shift Values>> N :: 115.7(5.05) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.38 I 0.03 C 0.03 HN Overlap>> 1.A94 1.A94 1.R129 1.R129 C Shift Assignments>> C :: 179.500 CA :: 55.051 CB :: 18.135 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.792 HA :: 4.071 HB1 :: 1.449 HB2 :: 1.449 HB3 :: 1.449 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.336 Ave N Shift Values>> N :: 123.23(3.7) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 I 0.13 M 0.05 K 0.03 C Shift Assignments>> C :: 176.460 CA :: 58.033 CB :: 30.312 CG :: 36.974 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.032 HA :: 4.148 HB2 :: 2.040 HB3 :: 1.992 HG2 :: 2.295 HG3 :: 2.369 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 113.924 Ave N Shift Values>> N :: 120.68(3.68) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.29 R 0.23 M 0.03 A 0.02 G 0.01 C Shift Assignments>> C :: 174.343 CA :: 52.701 CB :: 31.760 CG :: 23.803 CD :: 28.653 CE :: 42.104 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.475 HA :: 4.846 HB2 :: 1.842 HB3 :: 1.842 HG2 :: 1.291 HG3 :: 1.395 HD2 :: 1.826 HD3 :: 1.754 HE2 :: 2.969 HE3 :: 3.093 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.854 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.17 C Shift Assignments>> C :: 174.257 CA :: 64.254 CB :: 33.761 CG :: 26.840 CD :: 50.792 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.592 HB2 :: 2.057 HB3 :: 2.328 HG2 :: 1.994 HG3 :: 1.787 HD2 :: 3.716 HD3 :: 3.308 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 A 0.27 I 0.04 C Shift Assignments>> C :: 174.859 CA :: 54.278 CB :: 37.234 CG1 :: 26.450 CG2 :: 15.929 CD1 :: 9.949 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.936 HA :: 4.535 HB :: 1.778 HG12 :: 0.742 HG13 :: 1.361 HG21 :: 0.144 HG22 :: 0.144 HG23 :: 0.144 HD11 :: 0.471 HD12 :: 0.471 HD13 :: 0.471 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.749 Ave N Shift Values>> N :: 121.6(4.72) 1.P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 176.980 CA :: 62.978 CB :: 32.083 CG :: 28.177 CD :: 51.259 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.285 HB2 :: 1.470 HB3 :: 2.482 HG2 :: 1.921 HG3 :: 1.921 HD2 :: 3.226 HD3 :: 3.890 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 C 0.36 R 0.22 G 0.02 C Shift Assignments>> C :: 177.668 CA :: 57.839 CB :: 42.405 CG :: 27.500 CD1 :: 23.109 CD2 :: 26.099 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.000 HA :: 4.299 HB2 :: 2.080 HB3 :: 1.742 HG :: 1.703 HD11 :: 1.153 HD12 :: 1.153 HD13 :: 1.153 HD21 :: 1.172 HD22 :: 1.172 HD23 :: 1.172 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.704 Ave N Shift Values>> N :: 121.98(4.07) 1.F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.79 C 0.2 HN Overlap>> 1.I205 1.I205 C Shift Assignments>> C :: 176.332 CA :: 62.193 CB :: 41.159 CD1 :: 131.277 CD2 :: 131.277 CE1 :: 130.980 CE2 :: 130.980 CZ :: 129.654 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.636 HA :: 3.171 HB2 :: 1.966 HB3 :: 1.751 HD1 :: 5.944 HD2 :: 5.944 HE1 :: 7.077 HE2 :: 7.077 HZ :: 6.906 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 113.729 Ave N Shift Values>> N :: 120.69(4.18) 1.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 176.125 CA :: 65.443 CB :: 31.321 CG1 :: 20.993 CG2 :: 24.472 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.290 HA :: 3.050 HB :: 1.980 HG11 :: 0.962 HG12 :: 0.962 HG13 :: 0.962 HG21 :: 0.315 HG22 :: 0.315 HG23 :: 0.315 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 114.054 Ave N Shift Values>> N :: 121.02(4.96) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.36 I 0.17 M 0.05 K 0.02 C Shift Assignments>> C :: 178.046 CA :: 59.071 CB :: 30.714 CG :: 36.996 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.399 HA :: 4.275 HB2 :: 1.916 HB3 :: 1.916 HG2 :: 2.051 HG3 :: 1.765 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.271 Ave N Shift Values>> N :: 120.68(3.68) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.19 M 0.02 HN Overlap>> 1.T203 1.T203 C Shift Assignments>> C :: 180.517 CA :: 58.892 CB :: 32.288 CG :: 25.182 CD :: 29.364 CE :: 42.105 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.323 HA :: 3.987 HB2 :: 1.718 HB3 :: 1.513 HG2 :: 1.668 HG3 :: 1.577 HD2 :: 1.893 HD3 :: 1.612 HE2 :: 3.468 HE3 :: 3.096 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.348 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 P 0.3 C 0.08 V 0.07 W 0.03 C Shift Assignments>> C :: 176.159 CA :: 64.096 CB :: 28.672 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.335 HA :: 3.669 HB2 :: 2.709 HB3 :: 2.185 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 115.444 Ave N Shift Values>> N :: 119.95(4.79) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 HN Overlap>> 1.D69 1.D69 C Shift Assignments>> C :: 177.638 CA :: 67.908 CB :: 30.369 CG1 :: 20.115 CG2 :: 24.043 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.336 HA :: 2.994 HB :: 2.297 HG11 :: 0.273 HG12 :: 0.273 HG13 :: 0.273 HG21 :: 0.621 HG22 :: 0.621 HG23 :: 0.621 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.664 Ave N Shift Values>> N :: 121.02(4.96) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.34 C 0.33 E 0.26 K 0.03 C Shift Assignments>> C :: 178.962 CA :: 59.951 CB :: 29.117 CG :: 37.022 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.680 HA :: 3.925 HB2 :: 2.035 HB3 :: 2.035 HG2 :: 2.246 HG3 :: 2.655 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.757 Ave N Shift Values>> N :: 120.68(3.68) 1.F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 Y 0.24 C 0.2 C Shift Assignments>> C :: 178.435 CA :: 61.658 CB :: 40.006 CD1 :: 131.564 CD2 :: 131.564 CE1 :: 131.271 CE2 :: 131.271 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.431 HA :: 4.322 HB2 :: 3.310 HB3 :: 3.128 HD1 :: 7.096 HD2 :: 7.096 HE1 :: 7.010 HE2 :: 7.010 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.076 Ave N Shift Values>> N :: 120.69(4.18) 1.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> C :: 178.615 CA :: 65.880 CB :: 38.107 CG1 :: 30.108 CG2 :: 18.735 CD1 :: 13.365 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.522 HA :: 3.318 HB :: 1.966 HG12 :: 2.146 HG13 :: 1.044 HG21 :: 0.983 HG22 :: 0.983 HG23 :: 0.983 HD11 :: 0.905 HD12 :: 0.905 HD13 :: 0.905 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.675 Ave N Shift Values>> N :: 121.6(4.72) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.33 E 0.06 L 0.01 C Shift Assignments>> C :: 178.829 CA :: 60.335 CB :: 28.346 CG :: 38.841 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.068 HA :: 3.926 HB2 :: 2.081 HB3 :: 2.081 HG2 :: 2.995 HG3 :: 2.117 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.031 Ave N Shift Values>> N :: 120.68(3.68) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.17 F 0.15 C 0.12 Y 0.11 D 0.09 R 0.08 I 0.02 N 0.01 C Shift Assignments>> C :: 178.276 CA :: 56.988 CB :: 41.543 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.142 HA :: 4.544 HB2 :: 2.821 HB3 :: 2.576 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.803 Ave N Shift Values>> N :: 120.73(4.2) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 176.430 CA :: 62.732 CB :: 71.458 CG2 :: 20.869 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.479 HA :: 4.485 HB :: 3.786 HG21 :: 0.885 HG22 :: 0.885 HG23 :: 0.885 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 106.354 Ave N Shift Values>> N :: 115.7(5.05) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.27 L 0.26 G 0.25 C 0.1 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> CA :: 44.034 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.598 HA2 :: 3.176 HA3 :: 3.444 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.45 C 0.31 K 0.19 R 0.02 G 0.01 C Shift Assignments>> C :: 176.225 CA :: 57.826 CB :: 41.996 CD1 :: 25.210 CD2 :: 25.837 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.602 HA :: 3.970 HB2 :: 2.063 HB3 :: 1.537 HD11 :: 0.839 HD12 :: 0.839 HD13 :: 0.839 HD21 :: 0.916 HD22 :: 0.916 HD23 :: 0.916 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) 1.C54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.18 I 0.13 C 0.13 Q 0.1 K 0.1 W 0.09 L 0.08 H 0.07 E 0.06 C Shift Assignments>> C :: 173.582 CA :: 58.655 CB :: 27.372 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.122 HA :: 4.398 HB2 :: 2.883 HB3 :: 3.095 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 110.899 Ave N Shift Values>> N :: 119.95(4.79) 1.T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.L113 1.L113 C Shift Assignments>> C :: 173.363 CA :: 64.119 CB :: 69.767 CG2 :: 20.614 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.482 HA :: 3.818 HB :: 4.077 HG21 :: 1.142 HG22 :: 1.142 HG23 :: 1.142 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.510 Ave N Shift Values>> N :: 115.7(5.05) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.36 I 0.16 K 0.05 M 0.03 C Shift Assignments>> C :: 178.391 CA :: 58.121 CB :: 29.693 CG :: 37.016 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.696 HA :: 3.990 HB2 :: 2.062 HB3 :: 1.885 HG2 :: 2.189 HG3 :: 2.350 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 128.180 Ave N Shift Values>> N :: 120.68(3.68) 1.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> C :: 174.182 CA :: 46.647 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.210 HA2 :: 3.960 HA3 :: 4.037 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.239 Ave N Shift Values>> N :: 109.91(4.29) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.41 R 0.11 G 0.03 C Shift Assignments>> C :: 175.314 CA :: 57.467 CB :: 42.448 CG :: 25.891 CD1 :: 22.886 CD2 :: 26.412 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.920 HA :: 3.698 HB2 :: 1.575 HB3 :: 1.489 HG :: 1.302 HD11 :: 0.539 HD12 :: 0.539 HD13 :: 0.539 HD21 :: 0.819 HD22 :: 0.819 HD23 :: 0.819 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.778 Ave N Shift Values>> N :: 121.98(4.07) 1.Y59 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> C :: 175.725 CA :: 65.160 CB :: 36.119 CD1 :: 133.006 CD2 :: 133.006 CE1 :: 117.897 CE2 :: 117.897 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.571 HA :: 3.813 HB2 :: 4.083 HB3 :: 2.925 HD1 :: 6.945 HD2 :: 6.945 HE1 :: 7.020 HE2 :: 7.020 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 113.128 Ave N Shift Values>> N :: 120.79(4.69) SRO Rule Breaks>> (HA > HB2 : 0.9923) 1.R60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.39 G 0.15 K 0.04 C Shift Assignments>> C :: 177.381 CA :: 57.671 CB :: 31.382 CG :: 26.910 CD :: 44.037 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.839 HA :: 4.502 HB2 :: 1.949 HB3 :: 1.741 HG2 :: 1.584 HG3 :: 1.638 HD2 :: 3.123 HD3 :: 3.194 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.527 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 HN Overlap>> 1.F10 1.H114 1.F10 1.H114 1.K8 1.K8 C Shift Assignments>> C :: 176.430 CA :: 62.696 CB :: 32.523 CG1 :: 21.397 CG2 :: 21.416 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.101 HA :: 4.007 HB :: 1.944 HG11 :: 0.933 HG12 :: 0.933 HG13 :: 0.933 HG21 :: 1.027 HG22 :: 1.027 HG23 :: 1.027 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.607 Ave N Shift Values>> N :: 121.02(4.96) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.164 CA :: 58.543 CB :: 64.289 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.649 HA :: 4.490 HB2 :: 3.934 HB3 :: 3.867 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.651 Ave N Shift Values>> N :: 116.3(3.95) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.34 L 0.23 R 0.22 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.970 CA :: 44.253 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.289 HA2 :: 3.517 HA3 :: 4.221 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.295 Ave N Shift Values>> N :: 109.91(4.29) 1.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.21 C 0.15 Y 0.09 F 0.08 L 0.04 E 0.01 C Shift Assignments>> C :: 176.624 CA :: 53.545 CB :: 39.032 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.694 HA :: 4.618 HB2 :: 2.858 HB3 :: 2.901 HD21 :: 7.673 HD22 :: 7.026 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.791 ND2 :: 113.596 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.38 C 0.35 R 0.22 M 0.01 G 0.01 C Shift Assignments>> C :: 177.849 CA :: 59.280 CB :: 32.494 CG :: 24.846 CD :: 28.649 CE :: 42.297 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> HA :: 3.883 HB2 :: 1.885 HB3 :: 1.885 HG2 :: 1.477 HG3 :: 1.477 HD2 :: 1.734 HD3 :: 1.616 HE2 :: 3.024 HE3 :: 3.024 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) 1.T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.T14 1.T14 C Shift Assignments>> C :: 176.470 CA :: 66.040 CB :: 68.470 CG2 :: 22.207 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.146 HA :: 3.999 HB :: 4.179 HG21 :: 1.244 HG22 :: 1.244 HG23 :: 1.244 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.531 Ave N Shift Values>> N :: 115.7(5.05) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.18 C 0.15 K 0.12 L 0.12 D 0.1 I 0.04 R 0.02 N 0.01 C Shift Assignments>> C :: 178.393 CA :: 57.328 CB :: 40.690 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.707 HA :: 4.433 HB2 :: 2.776 HB3 :: 2.636 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.197 Ave N Shift Values>> N :: 120.73(4.2) 1.Q68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.22 K 0.2 E 0.14 M 0.04 I 0.03 R 0.03 C Shift Assignments>> C :: 177.833 CA :: 59.493 CB :: 29.364 CG :: 33.962 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.852 HA :: 3.957 HB2 :: 2.217 HB3 :: 2.095 HG2 :: 2.455 HG3 :: 2.702 HE21 :: 7.653 HE22 :: 6.816 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.348 NE2 :: 111.065 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.19 C 0.15 L 0.12 K 0.11 D 0.1 I 0.04 N 0.02 R 0.01 HN Overlap>> 1.V45 1.V45 C Shift Assignments>> C :: 178.341 CA :: 57.188 CB :: 40.567 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.437 HA :: 4.350 HB2 :: 2.834 HB3 :: 2.538 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.711 Ave N Shift Values>> N :: 120.73(4.2) 1.N70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.2 F 0.14 N 0.12 E 0.11 D 0.06 I 0.04 M 0.02 L 0.01 C Shift Assignments>> C :: 177.702 CA :: 55.987 CB :: 37.987 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.241 HA :: 4.403 HB2 :: 2.974 HB3 :: 2.780 HD21 :: 6.974 HD22 :: 7.889 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.286 ND2 :: 113.097 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 HN Overlap>> 1.Y111 1.Y111 C Shift Assignments>> C :: 177.346 CA :: 65.803 CB :: 37.966 CG1 :: 29.228 CG2 :: 17.047 CD1 :: 14.691 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.807 HA :: 3.499 HB :: 2.026 HG12 :: 0.992 HG13 :: 1.857 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 HD11 :: 0.748 HD12 :: 0.748 HD13 :: 0.748 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.026 Ave N Shift Values>> N :: 121.6(4.72) 1.Q72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.33 E 0.26 I 0.17 K 0.11 Q 0.08 M 0.02 C Shift Assignments>> C :: 177.497 CA :: 60.285 CB :: 29.281 CG :: 35.323 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.192 HA :: 3.720 HB2 :: 1.301 HB3 :: 2.197 HG2 :: 1.418 HG3 :: 2.344 HE21 :: 6.647 HE22 :: 5.418(S) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.807 NE2 :: 106.468 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.45 C 0.39 R 0.13 M 0.01 HN Overlap>> 1.L108 1.L108 C Shift Assignments>> C :: 179.694 CA :: 59.942 CB :: 32.564 CG :: 24.773 CD :: 29.099 CE :: 41.767 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.568 HA :: 3.482 HB2 :: 1.477 HB3 :: 1.301 HG2 :: 0.523 HG3 :: 0.245(S) HD2 :: 1.087 HD3 :: 1.087 HE2 :: 2.217(S) HE3 :: 2.301 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.457 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.21 K 0.2 E 0.13 I 0.06 R 0.05 M 0.01 HN Overlap>> 1.F176 1.F176 C Shift Assignments>> C :: 178.789 CA :: 58.968 CB :: 27.941 CG :: 34.378 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.493 HA :: 3.952 HB2 :: 2.094 HB3 :: 2.094 HG2 :: 2.446 HG3 :: 2.446 HE21 :: 6.789 HE22 :: 7.327 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.605 NE2 :: 111.662 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 F 0.37 HN Overlap>> 1.F190 1.V137 1.F190 1.V137 C Shift Assignments>> C :: 176.193 CA :: 60.673 CB :: 39.195 CD1 :: 128.982 CD2 :: 128.982 CE1 :: 131.325 CE2 :: 131.325 CZ :: 128.002 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.136 HA :: 4.314 HB2 :: 3.204 HB3 :: 3.347 HD1 :: 5.856 HD2 :: 5.856 HE1 :: 7.033 HE2 :: 7.033 HZ :: 6.276 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.124 Ave N Shift Values>> N :: 120.69(4.18) 1.D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.21 L 0.2 K 0.19 C 0.11 F 0.1 Y 0.07 D 0.06 I 0.01 G 0.01 HN Overlap>> 1.V147 1.V147 C Shift Assignments>> C :: 178.293 CA :: 57.115 CB :: 42.471 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.519 HA :: 4.398 HB2 :: 3.183 HB3 :: 2.991 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.687 Ave N Shift Values>> N :: 120.73(4.2) 1.Q77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.24 K 0.22 E 0.15 M 0.06 R 0.03 I 0.01 C Shift Assignments>> C :: 175.890 CA :: 57.186 CB :: 29.383 CG :: 34.112 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.378 HA :: 4.071 HB2 :: 2.050 HB3 :: 2.105 HG2 :: 2.402 HG3 :: 2.457 HE21 :: 7.446 HE22 :: 6.828 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 114.601 NE2 :: 112.035 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.19 K 0.11 N 0.11 C 0.1 F 0.06 Y 0.05 R 0.03 C Shift Assignments>> C :: 174.469 CA :: 53.634 CB :: 41.345 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.697 HA :: 4.372 HB2 :: 2.722 HB3 :: 2.502 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.325 Ave N Shift Values>> N :: 120.73(4.2) 1.H79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.43 W 0.32 C 0.24 C Shift Assignments>> C :: 174.965 CA :: 54.909 CB :: 28.417 CD2 :: 119.617 CE1 :: 135.929 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.714 HA :: 3.559 HB2 :: 2.957 HB3 :: 2.814 HD2 :: 7.089 HE1 :: 8.406 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 121.852 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.N80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 C 0.17 D 0.13 Y 0.06 F 0.04 L 0.02 E 0.01 C Shift Assignments>> C :: 175.441 CA :: 52.472 CB :: 38.336 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.259 HA :: 4.790 HB2 :: 2.751 HB3 :: 2.953 HD21 :: 7.818 HD22 :: 6.922 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.511 ND2 :: 114.514 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.23 C Shift Assignments>> C :: 173.380 CA :: 62.150 CB :: 39.569 CG1 :: 26.720 CG2 :: 18.109 CD1 :: 15.092 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.385 HA :: 3.950 HB :: 2.082 HG12 :: 1.257 HG13 :: 1.554 HG21 :: 1.153 HG22 :: 1.153 HG23 :: 1.153 HD11 :: 0.956 HD12 :: 0.956 HD13 :: 0.956 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.144 Ave N Shift Values>> N :: 121.6(4.72) 1.N82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.18 C 0.15 Y 0.03 F 0.03 L 0.02 C Shift Assignments>> C :: 175.972 CA :: 51.036 CB :: 39.056 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.572 HA :: 4.951 HB2 :: 3.005 HB3 :: 2.695 HD21 :: 7.684 HD22 :: 7.011 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.915 ND2 :: 112.596 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.36 R 0.14 K 0.01 C Shift Assignments>> C :: 178.838 CA :: 58.122 CB :: 41.720 CG :: 27.557 CD1 :: 26.064 CD2 :: 23.517 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.131 HA :: 3.856 HB2 :: 1.406 HB3 :: 0.493 HG :: 1.531 HD11 :: 0.577 HD12 :: 0.577 HD13 :: 0.577 HD21 :: 0.648 HD22 :: 0.648 HD23 :: 0.648 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.703 Ave N Shift Values>> N :: 121.98(4.07) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 HN Overlap>> 1.T153 1.T153 1.K139 1.K139 C Shift Assignments>> C :: 178.902 CA :: 65.952 CB :: 31.676 CG1 :: 21.004 CG2 :: 22.643 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.055 HA :: 3.959 HB :: 2.309 HG11 :: 1.030 HG12 :: 1.030 HG13 :: 1.030 HG21 :: 1.246 HG22 :: 1.246 HG23 :: 1.246 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.256 Ave N Shift Values>> N :: 121.02(4.96) 1.S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.380 CA :: 59.999 CB :: 63.429 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.739 HA :: 4.396 HB2 :: 3.939 HB3 :: 4.005 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.700 Ave N Shift Values>> N :: 116.3(3.95) 1.M86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.44 A 0.03 I 0.02 C Shift Assignments>> C :: 175.397 CA :: 56.889 CB :: 35.231 CG :: 32.197 CE :: 16.240 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.494 HA :: 4.195 HB2 :: 1.953 HB3 :: 2.218 HG2 :: 2.526 HG3 :: 2.604 HE1 :: 1.910 HE2 :: 1.910 HE3 :: 1.910 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.771 Ave N Shift Values>> N :: 120.1(3.88) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 E 0.21 I 0.18 K 0.06 Q 0.01 L 0.01 C Shift Assignments>> C :: 175.754 CA :: 57.188 CB :: 27.016 CG :: 36.695 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.993 HA :: 4.132 HB2 :: 2.150 HB3 :: 2.150 HG2 :: 2.204 HG3 :: 2.204 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.923 Ave N Shift Values>> N :: 120.68(3.68) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 V 0.31 I 0.01 C Shift Assignments>> C :: 175.969 CA :: 59.293 CB :: 34.058 CG1 :: 22.224 CG2 :: 18.828 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.337 HA :: 4.657 HB :: 2.074 HG11 :: 0.808 HG12 :: 0.808 HG13 :: 0.808 HG21 :: 0.491 HG22 :: 0.491 HG23 :: 0.491 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 111.110 Ave N Shift Values>> N :: 121.02(4.96) 1.T89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 175.886 CA :: 60.036 CB :: 71.582 CG2 :: 21.922 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.185 HA :: 4.673 HB :: 4.768 HG21 :: 1.410 HG22 :: 1.410 HG23 :: 1.410 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.594 Ave N Shift Values>> N :: 115.7(5.05) 1.V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 177.280 CA :: 66.723 CB :: 31.635 CG1 :: 21.914 CG2 :: 23.625 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.880 HA :: 3.763 HB :: 2.102 HG11 :: 0.946 HG12 :: 0.946 HG13 :: 0.946 HG21 :: 1.031 HG22 :: 1.031 HG23 :: 1.031 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.242 Ave N Shift Values>> N :: 121.02(4.96) 1.N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.18 Y 0.17 N 0.11 F 0.1 M 0.04 D 0.03 I 0.03 K 0.01 HN Overlap>> 1.T203 1.T203 C Shift Assignments>> C :: 178.246 CA :: 55.939 CB :: 37.354 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.212 HA :: 4.519 HB2 :: 2.502 HB3 :: 2.618 HD21 :: 7.445 HD22 :: 6.771 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.383 ND2 :: 111.387 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.4 C 0.03 I 0.02 V 0.01 C Shift Assignments>> C :: 179.034 CA :: 55.077 CB :: 18.745 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.938 HA :: 4.312 HB1 :: 1.484 HB2 :: 1.484 HB3 :: 1.484 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.541 Ave N Shift Values>> N :: 123.23(3.7) 1.V93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 177.099 CA :: 67.300 CB :: 31.626 CG1 :: 22.401 CG2 :: 24.530 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.648 HA :: 3.466 HB :: 2.112 HG11 :: 1.014 HG12 :: 1.014 HG13 :: 1.014 HG21 :: 0.694 HG22 :: 0.694 HG23 :: 0.694 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.667 Ave N Shift Values>> N :: 121.02(4.96) 1.A94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.33 I 0.04 C 0.03 V 0.01 HN Overlap>> 1.A33 1.R129 1.A33 1.R129 C Shift Assignments>> C :: 180.181 CA :: 55.401 CB :: 18.415 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.845 HA :: 4.130 HB1 :: 1.238 HB2 :: 1.238 HB3 :: 1.238 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.336 Ave N Shift Values>> N :: 123.23(3.7) 1.G95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 C 0.18 L 0.03 A 0.01 C Shift Assignments>> C :: 177.044 CA :: 47.065 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.057 HA2 :: 3.873 HA3 :: 3.999 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.424 Ave N Shift Values>> N :: 109.91(4.29) 1.A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.4 C 0.03 I 0.02 V 0.01 C Shift Assignments>> C :: 179.189 CA :: 55.059 CB :: 18.751 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.541 HA :: 4.206 HB1 :: 1.792 HB2 :: 1.792 HB3 :: 1.792 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.732 Ave N Shift Values>> N :: 123.23(3.7) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.29 R 0.13 K 0.05 C Shift Assignments>> C :: 179.003 CA :: 58.525 CB :: 41.062 CG :: 27.926 CD1 :: 25.327 CD2 :: 26.749 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.738 HA :: 4.412 HB2 :: 1.709 HB3 :: 2.620 HG :: 2.036 HD11 :: 1.180 HD12 :: 1.180 HD13 :: 1.180 HD21 :: 1.307 HD22 :: 1.307 HD23 :: 1.307 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.693 Ave N Shift Values>> N :: 121.98(4.07) 1.K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.34 R 0.13 C Shift Assignments>> C :: 178.630 CA :: 61.859 CB :: 32.206 CG :: 25.985 CD :: 29.564 CE :: 41.379 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.108 HA :: 4.129 HB2 :: 1.995 HB3 :: 1.995 HG2 :: 1.150 HG3 :: 1.750 HD2 :: 1.511 HD3 :: 1.467 HE2 :: 2.755 HE3 :: 2.663 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.620 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.39 I 0.03 C 0.02 C Shift Assignments>> C :: 179.427 CA :: 54.964 CB :: 18.107 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.283 HA :: 4.162 HB1 :: 1.499 HB2 :: 1.499 HB3 :: 1.499 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.298 Ave N Shift Values>> N :: 123.23(3.7) 1.F100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 C 0.29 C Shift Assignments>> C :: 177.257 CA :: 61.802 CB :: 38.667 CD1 :: 131.784 CD2 :: 131.784 CE1 :: 131.134 CE2 :: 131.134 CZ :: 128.583 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.059 HA :: 4.236 HB2 :: 3.356 HB3 :: 3.709 HD1 :: 6.429 HD2 :: 6.429 HE1 :: 6.763 HE2 :: 6.763 HZ :: 6.813 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.948 Ave N Shift Values>> N :: 120.69(4.18) 1.F101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.27 C Shift Assignments>> C :: 178.441 CA :: 62.239 CB :: 39.368 CD1 :: 132.500 CD2 :: 132.500 CE1 :: 130.615 CE2 :: 130.615 CZ :: 129.541 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.394 HA :: 4.077 HB2 :: 3.111 HB3 :: 3.383 HD1 :: 7.725 HD2 :: 7.725 HE1 :: 7.380 HE2 :: 7.380 HZ :: 7.157 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.068 Ave N Shift Values>> N :: 120.69(4.18) 1.A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.38 C 0.02 I 0.01 C Shift Assignments>> C :: 177.827 CA :: 54.003 CB :: 18.440 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.351 HA :: 4.614 HB1 :: 1.544 HB2 :: 1.544 HB3 :: 1.544 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.011 Ave N Shift Values>> N :: 123.23(3.7) 1.D103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.22 K 0.13 C 0.1 N 0.08 R 0.06 F 0.06 Y 0.04 HN Overlap>> 1.E119 1.E119 C Shift Assignments>> C :: 176.785 CA :: 53.757 CB :: 41.679 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.562 HA :: 4.612 HB2 :: 2.651 HB3 :: 2.651 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.871 Ave N Shift Values>> N :: 120.73(4.2) 1.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.24 A 0.1 R 0.03 G 0.01 C Shift Assignments>> C :: 177.183 CA :: 53.721 CB :: 41.803 CG :: 25.960 CD1 :: 26.302 CD2 :: 22.614 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.732 HA :: 4.018 HB2 :: 1.547 HB3 :: 1.686 HG :: 1.716 HD11 :: 1.118 HD12 :: 1.118 HD13 :: 1.118 HD21 :: 0.607 HD22 :: 0.607 HD23 :: 0.607 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.049 Ave N Shift Values>> N :: 121.98(4.07) 1.P105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.9 C 0.09 C Shift Assignments>> C :: 175.382 CA :: 64.915 CB :: 31.683 CG :: 27.410 CD :: 50.057 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.239 HB2 :: 2.000 HB3 :: 2.280 HG2 :: 1.933 HG3 :: 1.800 HD2 :: 3.179 HD3 :: 3.665 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.17 C 0.13 D 0.12 R 0.08 N 0.02 K 0.01 F 0.01 C Shift Assignments>> C :: 172.368 CA :: 50.746 CB :: 43.396 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 6.958 HA :: 5.031 HB2 :: 2.731 HB3 :: 2.265 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.456 Ave N Shift Values>> N :: 120.73(4.2) 1.P107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> C :: 176.350 CA :: 61.809 CB :: 31.733 CG :: 26.158 CD :: 50.241 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.414 HB2 :: 1.597 HB3 :: 2.097 HG2 :: 1.518 HG3 :: 0.910 HD2 :: 3.494 HD3 :: 3.152 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 L 0.33 R 0.26 G 0.04 K 0.02 HN Overlap>> 1.K73 1.K73 C Shift Assignments>> C :: 176.708 CA :: 57.300 CB :: 42.890 CG :: 27.356 CD1 :: 24.627 CD2 :: 27.095 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.482 HA :: 3.931 HB2 :: 1.616 HB3 :: 1.794 HG :: 1.752 HD11 :: 1.271 HD12 :: 1.271 HD13 :: 1.271 HD21 :: 0.954 HD22 :: 0.954 HD23 :: 0.954 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.478 Ave N Shift Values>> N :: 121.98(4.07) 1.I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 I 0.43 A 0.02 C Shift Assignments>> C :: 173.534 CA :: 58.097 CB :: 36.475 CG1 :: 26.817 CG2 :: 17.161 CD1 :: 13.064 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.454 HA :: 3.844 HB :: 1.793 HG12 :: 0.211 HG13 :: 1.282 HG21 :: 0.582 HG22 :: 0.582 HG23 :: 0.582 HD11 :: 0.671 HD12 :: 0.671 HD13 :: 0.671 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 113.484 Ave N Shift Values>> N :: 121.6(4.72) 1.P110 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> CA :: 63.199 CB :: 32.700 CG :: 27.329 CD :: 50.131 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.960 HB2 :: 1.740 HB3 :: 2.138 HG2 :: 1.729 HG3 :: 1.653 HD2 :: 2.284(S) HD3 :: 3.304 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.Y111 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.64 C 0.35 HN Overlap>> 1.I71 1.I71 C Shift Assignments>> C :: 179.833 CA :: 60.688 CB :: 38.550 CD1 :: 132.823 CD2 :: 132.823 CE1 :: 118.592 CE2 :: 118.592 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.849 HA :: 2.579(S) HB2 :: 2.873 HB3 :: 2.611 HD1 :: 7.058 HD2 :: 7.058 HE1 :: 7.073 HE2 :: 7.073 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.124 Ave N Shift Values>> N :: 120.79(4.69) SRO Rule Breaks>> (HA > HB2 : 0.9923) (HA > HB3 : 0.9965) 1.S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.848 CA :: 60.714 CB :: 62.072 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.807 HA :: 4.096 HB2 :: 3.944 HB3 :: 3.944 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.454 Ave N Shift Values>> N :: 116.3(3.95) 1.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.26 R 0.19 A 0.05 G 0.03 K 0.01 HN Overlap>> 1.T55 1.T55 C Shift Assignments>> C :: 177.328 CA :: 54.249 CB :: 42.544 CG :: 27.315 CD1 :: 27.346 CD2 :: 22.969 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.520 HA :: 4.779 HB2 :: 1.609 HB3 :: 1.544 HG :: 1.647 HD11 :: 0.861 HD12 :: 0.861 HD13 :: 0.861 HD21 :: 0.884 HD22 :: 0.884 HD23 :: 0.884 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.478 Ave N Shift Values>> N :: 121.98(4.07) 1.H114 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 H 0.25 W 0.1 HN Overlap>> 1.V61 1.K8 1.V61 1.K8 C Shift Assignments>> C :: 174.161 CA :: 60.716 CB :: 28.856 CD2 :: 116.737 CE1 :: 140.745(A) Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.143 HA :: 4.419 HB2 :: 3.557 HB3 :: 3.117 HD2 :: 6.541 HE1 :: 8.577 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.544 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.P115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.61 C 0.38 C Shift Assignments>> C :: 179.853 CA :: 66.627 CB :: 30.895 CG :: 28.627 CD :: 50.596 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.276 HB2 :: 1.992 HB3 :: 2.396 HG2 :: 2.186 HG3 :: 2.043 HD2 :: 3.697 HD3 :: 3.953 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.3 I 0.28 M 0.02 K 0.01 C Shift Assignments>> C :: 179.683 CA :: 59.518 CB :: 30.116 CG :: 37.457 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.460 HA :: 4.131 HB2 :: 2.130 HB3 :: 2.130 HG2 :: 2.350 HG3 :: 2.350 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.342 Ave N Shift Values>> N :: 120.68(3.68) 1.L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.34 R 0.15 G 0.03 K 0.01 HN Overlap>> 1.L191 1.L191 C Shift Assignments>> C :: 177.418 CA :: 58.551 CB :: 42.519 CG :: 26.811 CD1 :: 26.655 CD2 :: 24.633 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.307 HA :: 3.940 HB2 :: 1.301 HB3 :: 2.145 HG :: 1.984 HD11 :: 0.806 HD12 :: 0.806 HD13 :: 0.806 HD21 :: 0.998 HD22 :: 0.998 HD23 :: 0.998 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.462 Ave N Shift Values>> N :: 121.98(4.07) 1.L118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.45 R 0.02 A 0.02 HN Overlap>> 1.E216 1.E216 C Shift Assignments>> C :: 178.503 CA :: 57.663 CB :: 41.012 CG :: 26.830 CD1 :: 25.116 CD2 :: 21.626 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.197 HA :: 3.654 HB2 :: 1.764 HB3 :: 1.302 HG :: 1.609 HD11 :: 0.629 HD12 :: 0.629 HD13 :: 0.629 HD21 :: 0.099 HD22 :: 0.099 HD23 :: 0.099 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.950 Ave N Shift Values>> N :: 121.98(4.07) 1.E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.32 I 0.13 K 0.09 Q 0.05 M 0.04 HN Overlap>> 1.D103 1.D103 C Shift Assignments>> C :: 180.128 CA :: 58.825 CB :: 29.653 CG :: 36.005 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.591 HA :: 3.971 HB2 :: 2.034 HB3 :: 2.034 HG2 :: 2.344 HG3 :: 2.280 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.877 Ave N Shift Values>> N :: 120.68(3.68) 1.A120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.43 C 0.02 I 0.01 C Shift Assignments>> C :: 179.030 CA :: 54.205 CB :: 18.124 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.134 HA :: 4.136 HB1 :: 1.434 HB2 :: 1.434 HB3 :: 1.434 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.740 Ave N Shift Values>> N :: 123.23(3.7) 1.A121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.34 C 0.02 C Shift Assignments>> C :: 177.884 CA :: 53.856 CB :: 18.848 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.843 HA :: 3.771 HB1 :: 1.341 HB2 :: 1.341 HB3 :: 1.341 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 115.998 Ave N Shift Values>> N :: 123.23(3.7) 1.K122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.36 R 0.2 M 0.04 C Shift Assignments>> C :: 177.130 CA :: 56.404 CB :: 33.112 CG :: 25.021 CD :: 29.814 CE :: 42.050 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.144 HA :: 4.071 HB2 :: 1.954 HB3 :: 1.790 HG2 :: 1.351 HG3 :: 1.737 HD2 :: 1.610 HD3 :: 1.683 HE2 :: 2.816 HE3 :: 2.874 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.576 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 176.722 CA :: 61.042 CB :: 39.167 CG1 :: 29.126 CG2 :: 16.588 CD1 :: 14.594 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.621 HA :: 4.050 HB :: 1.735 HG12 :: 1.076 HG13 :: 1.924 HG21 :: 1.023 HG22 :: 1.023 HG23 :: 1.023 HD11 :: 0.994 HD12 :: 0.994 HD13 :: 0.994 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.456 Ave N Shift Values>> N :: 121.6(4.72) 1.P124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 177.559 CA :: 65.196 CB :: 32.330 CG :: 27.387 CD :: 51.714 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.235 HB2 :: 2.279 HB3 :: 2.000 HG2 :: 1.994 HG3 :: 2.087 HD2 :: 3.863 HD3 :: 4.085 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.24 C 0.11 D 0.11 G 0.07 K 0.06 F 0.03 Y 0.02 N 0.01 C Shift Assignments>> C :: 175.437 CA :: 54.513 CB :: 43.395 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.304 HA :: 4.559 HB2 :: 2.607 HB3 :: 2.607 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.260 Ave N Shift Values>> N :: 120.73(4.2) 1.K126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.39 R 0.15 M 0.02 G 0.01 C Shift Assignments>> C :: 176.903 CA :: 60.473 CB :: 33.103 CG :: 24.786 CD :: 30.023 CE :: 42.050 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.747 HA :: 3.670 HB2 :: 1.896 HB3 :: 1.766 HG2 :: 1.075 HG3 :: 1.283 HD2 :: 1.593 HD3 :: 1.642 HE2 :: 2.675 HE3 :: 2.818 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.857 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.I164 1.I164 C Shift Assignments>> C :: 176.880 CA :: 67.781 CB :: 67.734 CG2 :: 22.055 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.927 HA :: 3.542 HB :: 4.239 HG21 :: 1.094 HG22 :: 1.094 HG23 :: 1.094 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.304 Ave N Shift Values>> N :: 115.7(5.05) 1.E128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.34 I 0.19 K 0.05 M 0.03 Q 0.02 C Shift Assignments>> C :: 179.466 CA :: 59.591 CB :: 29.986 CG :: 36.370 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.650 HA :: 3.986 HB2 :: 2.039 HB3 :: 2.039 HG2 :: 2.468 HG3 :: 2.223 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.062 Ave N Shift Values>> N :: 120.68(3.68) 1.R129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.37 G 0.19 K 0.03 HN Overlap>> 1.A94 1.A33 1.A94 1.A33 C Shift Assignments>> C :: 177.738 CA :: 59.654 CB :: 31.120 CG :: 26.493 CD :: 44.024 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.787 HA :: 3.967 HB2 :: 1.945 HB3 :: 1.945 HG2 :: 2.196 HG3 :: 1.149 HD2 :: 3.437 HD3 :: 3.176 HE :: 7.124 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.322 NE :: 84.594 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 L 0.39 C Shift Assignments>> C :: 179.745 CA :: 58.525 CB :: 39.515 CG :: 27.024 CD1 :: 26.024 CD2 :: 24.518 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.243 HA :: 3.989 HB2 :: 1.425 HB3 :: 0.919 HG :: 1.857 HD11 :: 0.393 HD12 :: 0.393 HD13 :: 0.393 HD21 :: 0.574 HD22 :: 0.574 HD23 :: 0.574 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.971 Ave N Shift Values>> N :: 121.98(4.07) 1.H131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.28 H 0.18 C Shift Assignments>> C :: 178.092 CA :: 61.746 CB :: 29.611 CD2 :: 121.420 CE1 :: 138.189 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.246 HA :: 4.327 HB2 :: 3.184 HB3 :: 3.281 HD2 :: 7.154 HE1 :: 7.864 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.789 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.33 I 0.04 C 0.04 V 0.01 HN Overlap>> 1.R16 1.R16 C Shift Assignments>> C :: 181.503 CA :: 55.481 CB :: 18.702 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.400 HA :: 4.279 HB1 :: 1.613 HB2 :: 1.613 HB3 :: 1.613 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.160 Ave N Shift Values>> N :: 123.23(3.7) 1.L133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.32 R 0.2 G 0.04 K 0.01 C Shift Assignments>> C :: 178.356 CA :: 58.156 CB :: 42.827 CG :: 27.208 CD1 :: 26.597 CD2 :: 24.709 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.581 HA :: 4.087 HB2 :: 2.266 HB3 :: 1.189 HG :: 1.893 HD11 :: 0.748 HD12 :: 0.748 HD13 :: 0.748 HD21 :: 0.912 HD22 :: 0.912 HD23 :: 0.912 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.314 Ave N Shift Values>> N :: 121.98(4.07) 1.K134 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.4 R 0.31 K 0.25 M 0.01 G 0.01 C Shift Assignments>> C :: 177.479 CA :: 59.852 CB :: 32.328 CG :: 26.107 CD :: 30.600 CE :: 42.062 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.601 HA :: 4.128 HB2 :: 2.321 HB3 :: 1.945 HG2 :: 1.285 HG3 :: 1.463 HD2 :: 1.247 HD3 :: 0.584(S) HE2 :: 2.678 HE3 :: 2.678 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.068 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.15 K 0.09 Q 0.03 M 0.02 C Shift Assignments>> C :: 179.066 CA :: 58.786 CB :: 29.409 CG :: 36.213 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.807 HA :: 4.054 HB2 :: 2.219 HB3 :: 2.106 HG2 :: 2.436 HG3 :: 2.436 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.531 Ave N Shift Values>> N :: 120.68(3.68) 1.I136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.15 C Shift Assignments>> C :: 178.511 CA :: 65.243 CB :: 38.272 CG1 :: 28.780 CG2 :: 19.810 CD1 :: 15.802 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.541 HA :: 3.731 HB :: 1.953 HG12 :: 1.267 HG13 :: 1.934 HG21 :: 1.054 HG22 :: 1.054 HG23 :: 1.054 HD11 :: 0.857 HD12 :: 0.857 HD13 :: 0.857 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.935 Ave N Shift Values>> N :: 121.6(4.72) 1.V137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 HN Overlap>> 1.F75 1.F190 1.F75 1.F190 C Shift Assignments>> C :: 176.956 CA :: 64.102 CB :: 31.196 CG1 :: 21.196 CG2 :: 22.873 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.121 HA :: 3.668 HB :: 1.926 HG11 :: 1.058 HG12 :: 1.058 HG13 :: 1.058 HG21 :: 0.475 HG22 :: 0.475 HG23 :: 0.475 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.119 Ave N Shift Values>> N :: 121.02(4.96) 1.K138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.36 R 0.23 M 0.02 C Shift Assignments>> C :: 177.572 CA :: 58.308 CB :: 32.412 CG :: 25.661 CD :: 29.529 CE :: 41.967 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.207 HA :: 4.003 HB2 :: 1.834 HB3 :: 1.939 HG2 :: 1.771 HG3 :: 1.456 HD2 :: 1.646 HD3 :: 1.646 HE2 :: 2.878 HE3 :: 2.878 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.657 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.31 R 0.28 M 0.03 HN Overlap>> 1.V84 1.V84 C Shift Assignments>> C :: 177.566 CA :: 56.895 CB :: 32.783 CG :: 25.791 CD :: 30.337 CE :: 42.075 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.036 HA :: 4.349 HB2 :: 2.307 HB3 :: 2.074 HG2 :: 1.902 HG3 :: 1.444 HD2 :: 1.818 HD3 :: 1.741 HE2 :: 2.933 HE3 :: 2.933 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.174 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 C 0.43 HN Overlap>> 1.K163 1.K163 C Shift Assignments>> C :: 175.952 CA :: 57.716 CB :: 39.143 CD1 :: 130.493 CD2 :: 130.493 CE1 :: 130.426 CE2 :: 130.426 CZ :: 128.009 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.978 HA :: 4.252 HB2 :: 3.651 HB3 :: 3.156 HD1 :: 7.075 HD2 :: 7.075 HE1 :: 6.435 HE2 :: 6.435 HZ :: 6.244 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.780 Ave N Shift Values>> N :: 120.69(4.18) 1.H141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.35 C 0.33 W 0.31 C Shift Assignments>> C :: 174.367 CA :: 56.572 CB :: 31.033 CD2 :: 118.940 CE1 :: 138.807 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.897 HA :: 4.570 HB2 :: 3.336 HB3 :: 3.242 HD2 :: 7.230 HE1 :: 7.889 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 124.469 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.P142 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 178.537 CA :: 66.462 CB :: 32.503 CG :: 27.660 CD :: 50.062 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.238 HB2 :: 2.400 HB3 :: 2.010 HG2 :: 1.906 HG3 :: 1.906 HD2 :: 2.395(S) HD3 :: 3.591 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 177.954 CA :: 65.743 CB :: 31.561 CG1 :: 21.621 CG2 :: 22.847 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 10.035 HA :: 4.371 HB :: 2.328 HG11 :: 0.928 HG12 :: 0.928 HG13 :: 0.928 HG21 :: 1.281 HG22 :: 1.281 HG23 :: 1.281 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.137 Ave N Shift Values>> N :: 121.02(4.96) 1.N144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.24 F 0.16 E 0.13 I 0.13 M 0.01 D 0.01 N 0.01 C Shift Assignments>> C :: 177.328 CA :: 58.315 CB :: 37.766 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.604 HA :: 4.169 HB2 :: 3.024 HB3 :: 2.845 HD21 :: 8.406 HD22 :: 7.311 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.163 ND2 :: 113.147 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 176.096 CA :: 63.576 CB :: 38.425 CD1 :: 133.935 CD2 :: 133.935 CE1 :: 117.379 CE2 :: 117.379 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.725 HA :: 3.880 HB2 :: 3.039 HB3 :: 3.355 HD1 :: 7.221 HD2 :: 7.221 HE1 :: 6.771 HE2 :: 6.771 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.755 Ave N Shift Values>> N :: 120.79(4.69) 1.D146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.23 C 0.17 L 0.08 I 0.08 K 0.07 D 0.06 N 0.01 HN Overlap>> 1.I174 1.I174 C Shift Assignments>> C :: 179.945 CA :: 57.962 CB :: 40.320 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.612 HA :: 4.312 HB2 :: 3.127 HB3 :: 2.492 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.052 Ave N Shift Values>> N :: 120.73(4.2) 1.V147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 HN Overlap>> 1.L180 1.L180 1.D76 1.D76 C Shift Assignments>> C :: 176.875 CA :: 67.061 CB :: 31.424 CG1 :: 22.957 CG2 :: 24.767 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.450 HA :: 3.738 HB :: 2.325 HG11 :: 1.351 HG12 :: 1.351 HG13 :: 1.351 HG21 :: 1.379 HG22 :: 1.379 HG23 :: 1.379 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.680 Ave N Shift Values>> N :: 121.02(4.96) 1.F148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.27 HN Overlap>> 1.A169 1.A169 C Shift Assignments>> C :: 175.768 CA :: 61.447 CB :: 39.749 CD1 :: 131.011 CD2 :: 131.011 CE1 :: 130.488 CE2 :: 130.488 CZ :: 128.486 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.213 HA :: 4.193 HB2 :: 2.960 HB3 :: 3.217 HD1 :: 6.707 HD2 :: 6.707 HE1 :: 6.348 HE2 :: 6.348 HZ :: 6.161 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.389 Ave N Shift Values>> N :: 120.69(4.18) 1.R149 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.36 R 0.3 G 0.14 K 0.12 L 0.05 C Shift Assignments>> C :: 178.877 CA :: 59.074 CB :: 29.366 CG :: 25.520 CD :: 43.781 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.843 HA :: 1.940(A) HB2 :: 1.659 HB3 :: 0.529(S) HG2 :: 1.006 HG3 :: 0.432(S) HD2 :: 2.947 HD3 :: 3.002 HE :: 7.483 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.671 NE :: 82.581 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HA > HD2 : 0.9912) 1.Y150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 C 0.26 C Shift Assignments>> C :: 178.380 CA :: 62.492 CB :: 40.096 CD1 :: 133.093 CD2 :: 133.093 CE1 :: 118.391 CE2 :: 118.391 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.951 HA :: 3.917 HB2 :: 3.185 HB3 :: 3.185 HD1 :: 6.893 HD2 :: 6.893 HE1 :: 6.626 HE2 :: 6.626 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.036 Ave N Shift Values>> N :: 120.79(4.69) 1.V151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.08 C Shift Assignments>> C :: 176.790 CA :: 66.795 CB :: 32.015 CG1 :: 20.038 CG2 :: 24.228 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.739 HA :: 3.469 HB :: 1.923 HG11 :: 0.497 HG12 :: 0.497 HG13 :: 0.497 HG21 :: 1.050 HG22 :: 1.050 HG23 :: 1.050 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.916 Ave N Shift Values>> N :: 121.02(4.96) 1.I152 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.82 V 0.16 C Shift Assignments>> C :: 177.620 CA :: 61.517 CB :: 33.078 CG1 :: 25.925 CG2 :: 19.967 CD1 :: 7.352 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.743 HA :: 3.372 HB :: 1.593 HG12 :: 0.774 HG13 :: -0.265(S) HG21 :: 0.783 HG22 :: 0.783 HG23 :: 0.783 HD11 :: 0.249 HD12 :: 0.249 HD13 :: 0.249 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.084 Ave N Shift Values>> N :: 121.6(4.72) 1.T153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.V84 1.V84 C Shift Assignments>> C :: 176.448 CA :: 67.378 CB :: 68.859 CG2 :: 20.008 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.017 HA :: 4.392 HB :: 4.214 HG21 :: 1.191 HG22 :: 1.191 HG23 :: 1.191 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.351 Ave N Shift Values>> N :: 115.7(5.05) 1.H154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.4 H 0.05 C Shift Assignments>> C :: 176.348 CA :: 59.103 CB :: 27.630 CD2 :: 127.973 CE1 :: 136.070 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.321 HA :: 4.434 HB2 :: 3.286 HB3 :: 2.762 HD2 :: 6.432 HE1 :: 7.267 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 122.127 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L155 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.51 L 0.46 A 0.01 C Shift Assignments>> C :: 178.966 CA :: 57.448 CB :: 40.230 CG :: 25.805 CD1 :: 23.962 CD2 :: 22.415 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.600 HA :: 3.629 HB2 :: 1.738 HB3 :: 1.083 HG :: 1.634 HD11 :: -0.229(S) HD12 :: -0.229(S) HD13 :: -0.229(S) HD21 :: 0.228 HD22 :: 0.228 HD23 :: 0.228 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.898 Ave N Shift Values>> N :: 121.98(4.07) 1.N156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.26 C 0.19 I 0.09 D 0.06 L 0.05 K 0.02 N 0.01 E 0.01 HN Overlap>> 1.Q206 1.Q206 C Shift Assignments>> C :: 178.574 CA :: 57.959 CB :: 39.741 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.119 HA :: 4.195 HB2 :: 3.046 HB3 :: 3.166 HD21 :: 7.306 HD22 :: 8.298 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.122 ND2 :: 113.582 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.39 G 0.12 K 0.05 C Shift Assignments>> C :: 179.845 CA :: 60.972 CB :: 29.333 CG :: 28.403 CD :: 43.238 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.088 HA :: 3.933 HB2 :: 2.195 HB3 :: 1.883 HG2 :: 1.873 HG3 :: 1.562 HD2 :: 3.252 HD3 :: 3.151 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.318 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 HN Overlap>> 1.E202 1.E202 C Shift Assignments>> C :: 179.504 CA :: 67.289 CB :: 31.466 CG1 :: 23.521 CG2 :: 22.613 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.273 HA :: 3.410 HB :: 2.376 HG11 :: 1.062 HG12 :: 1.062 HG13 :: 1.062 HG21 :: 0.717 HG22 :: 0.717 HG23 :: 0.717 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.070 Ave N Shift Values>> N :: 121.02(4.96) 1.S159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.947 CA :: 60.879 CB :: 63.054 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.461 HA :: 5.105 HB2 :: 4.032 HB3 :: 3.928 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.432 Ave N Shift Values>> N :: 116.3(3.95) 1.Q160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.24 K 0.24 E 0.1 R 0.08 M 0.02 I 0.02 C Shift Assignments>> C :: 178.673 CA :: 58.068 CB :: 28.290 CG :: 33.795 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.766 HA :: 4.420 HB2 :: 2.208 HB3 :: 2.342 HG2 :: 2.636 HG3 :: 2.728 HE21 :: 7.166 HE22 :: 6.957 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.128 NE2 :: 112.244 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 K 0.21 R 0.21 Q 0.2 M 0.02 E 0.01 C Shift Assignments>> C :: 177.055 CA :: 53.879 CB :: 27.193 CG :: 32.809 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.767 HA :: 4.745 HB2 :: 2.698 HB3 :: 1.883 HG2 :: 2.325 HG3 :: 2.325 HE21 :: 7.416 HE22 :: 6.758 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.324 NE2 :: 112.199 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.H162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.41 C 0.31 H 0.27 C Shift Assignments>> C :: 177.253 CA :: 59.106 CB :: 28.624 CE1 :: 138.322 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.552 HA :: 4.720 HB2 :: 2.901 HB3 :: 3.541 HD2 :: 7.269 HE1 :: 7.768 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.344 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.K163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.35 R 0.23 M 0.01 HN Overlap>> 1.F140 1.F140 C Shift Assignments>> C :: 176.929 CA :: 59.159 CB :: 31.685 CG :: 25.529 CD :: 28.870 CE :: 41.967 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.085 HA :: 3.883 HB2 :: 1.498 HB3 :: 1.669 HG2 :: 1.127 HG3 :: 1.170 HD2 :: 1.597 HD3 :: 1.639 HE2 :: 2.990 HE3 :: 2.990 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.768 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 C 0.22 HN Overlap>> 1.T127 1.T127 C Shift Assignments>> C :: 176.111 CA :: 62.010 CB :: 39.883 CG1 :: 27.940 CG2 :: 18.132 CD1 :: 12.990 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.846 HA :: 4.194 HB :: 1.849 HG12 :: 1.172 HG13 :: 1.518 HG21 :: 1.044 HG22 :: 1.044 HG23 :: 1.044 HD11 :: 0.919 HD12 :: 0.919 HD13 :: 0.919 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 115.285 Ave N Shift Values>> N :: 121.6(4.72) 1.N165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 C 0.17 D 0.16 Y 0.09 F 0.07 L 0.03 E 0.02 C Shift Assignments>> C :: 176.082 CA :: 53.479 CB :: 38.563 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.269 HA :: 4.329 HB2 :: 3.446 HB3 :: 2.272 HD21 :: 8.074 HD22 :: 7.132 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.678 ND2 :: 111.569 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 L 0.35 A 0.02 C Shift Assignments>> C :: 177.798 CA :: 57.170 CB :: 39.342 CG :: 27.341 CD1 :: 25.615 CD2 :: 22.073 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.055 HA :: 4.295 HB2 :: 2.338 HB3 :: 1.732 HG :: 1.476 HD11 :: 0.891 HD12 :: 0.891 HD13 :: 0.891 HD21 :: 0.871 HD22 :: 0.871 HD23 :: 0.871 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 112.237 Ave N Shift Values>> N :: 121.98(4.07) 1.M167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 A 0.39 M 0.02 C Shift Assignments>> C :: 173.553 CA :: 52.945 CB :: 26.915 CG :: 29.537 CE :: 15.724 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.405 HA :: 5.098 HB2 :: 2.033 HB3 :: 1.564 HG2 :: 2.587 HG3 :: 3.441 HE1 :: 1.973 HE2 :: 1.973 HE3 :: 1.973 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 123.207 Ave N Shift Values>> N :: 120.1(3.88) 1.T168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.19 C Shift Assignments>> C :: 175.194 CA :: 60.872 CB :: 71.052 CG2 :: 22.756 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 6.669 HA :: 4.151 HB :: 4.519 HG21 :: 1.097 HG22 :: 1.097 HG23 :: 1.097 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 107.515 Ave N Shift Values>> N :: 115.7(5.05) 1.A169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.16 I 0.11 C 0.04 V 0.02 HN Overlap>> 1.F148 1.F148 C Shift Assignments>> C :: 179.197 CA :: 56.548 CB :: 18.235 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.263 HA :: 4.001 HB1 :: 1.665 HB2 :: 1.665 HB3 :: 1.665 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.312 Ave N Shift Values>> N :: 123.23(3.7) 1.D170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 Y 0.17 K 0.15 C 0.14 L 0.13 D 0.09 I 0.04 R 0.03 N 0.01 C Shift Assignments>> C :: 177.525 CA :: 57.341 CB :: 40.916 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.718 HA :: 4.364 HB2 :: 2.796 HB3 :: 2.472 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.992 Ave N Shift Values>> N :: 120.73(4.2) 1.N171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.2 F 0.13 N 0.12 E 0.12 D 0.05 I 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 179.386 CA :: 55.956 CB :: 37.837 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.600 HA :: 4.590 HB2 :: 2.798 HB3 :: 3.029 HD21 :: 7.258 HD22 :: 7.589 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.322 ND2 :: 110.251 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 L 0.3 R 0.27 G 0.05 K 0.01 C Shift Assignments>> C :: 178.767 CA :: 58.050 CB :: 42.961 CG :: 27.361 CD1 :: 27.429 CD2 :: 23.472 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.865 HA :: 4.126 HB2 :: 2.037 HB3 :: 1.220 HG :: 1.654 HD11 :: 0.883 HD12 :: 0.883 HD13 :: 0.883 HD21 :: 1.056 HD22 :: 1.056 HD23 :: 1.056 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.266 Ave N Shift Values>> N :: 121.98(4.07) 1.S173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.027 CA :: 61.658 CB :: 62.601 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.677 HA :: 4.194 HB2 :: 3.928 HB3 :: 4.572 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.483 Ave N Shift Values>> N :: 116.3(3.95) 1.I174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 C 0.03 HN Overlap>> 1.D146 1.D146 C Shift Assignments>> C :: 177.207 CA :: 67.021 CB :: 38.678 CG1 :: 30.205 CG2 :: 17.108 CD1 :: 14.039 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.556 HA :: 3.776 HB :: 2.108 HG12 :: 1.991 HG13 :: 1.096 HG21 :: 0.997 HG22 :: 0.997 HG23 :: 0.997 HD11 :: 0.969 HD12 :: 0.969 HD13 :: 0.969 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.992 Ave N Shift Values>> N :: 121.6(4.72) 1.C175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 P 0.14 C 0.13 W 0.09 R 0.05 K 0.04 E 0.04 Q 0.02 H 0.02 V 0.02 C Shift Assignments>> C :: 176.010 CA :: 61.529 CB :: 28.209 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.196 HA :: 4.290 HB2 :: 3.185 HB3 :: 2.638 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 111.783 Ave N Shift Values>> N :: 119.95(4.79) 1.F176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.67 C 0.28 G 0.04 HN Overlap>> 1.Q74 1.Q74 C Shift Assignments>> C :: 177.637 CA :: 61.307 CB :: 42.352 CD1 :: 130.164 CD2 :: 130.164 CE1 :: 131.345 CE2 :: 131.345 CZ :: 129.710 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.437 HA :: 4.514 HB2 :: 2.990 HB3 :: 2.724 HD1 :: 7.051 HD2 :: 7.051 HE1 :: 6.592 HE2 :: 6.592 HZ :: 6.550 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.691 Ave N Shift Values>> N :: 120.69(4.18) 1.W177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.58 C 0.41 C Shift Assignments>> C :: 175.241 CA :: 63.864 CB :: 27.032 CD1 :: 128.318 CE3 :: 121.367 CZ2 :: 114.976 CZ3 :: 120.675 CH2 :: 123.716 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 10.742 HA :: 4.481 HB2 :: 3.599 HB3 :: 3.506 HD1 :: 7.522 HE1 :: 10.912 HE3 :: 7.399 HZ2 :: 7.552 HZ3 :: 6.608 HH2 :: 6.958 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 125.559 NE1 :: 130.320 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.P178 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 179.309 CA :: 65.492 CB :: 30.682 CG :: 27.530 CD :: 50.565 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.603 HB2 :: 1.459 HB3 :: 1.675 HG2 :: -0.315(S) HG3 :: 1.414 HD2 :: 2.576 HD3 :: 2.852 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.T179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 176.661 CA :: 66.005 CB :: 68.945 CG2 :: 23.128 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.125 HA :: 4.026 HB :: 4.139 HG21 :: 1.339 HG22 :: 1.339 HG23 :: 1.339 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.044 Ave N Shift Values>> N :: 115.7(5.05) 1.L180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.36 R 0.06 A 0.05 G 0.03 HN Overlap>> 1.V147 1.V147 C Shift Assignments>> C :: 174.964 CA :: 57.025 CB :: 42.547 CG :: 26.190 CD1 :: 25.250 CD2 :: 21.244 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.405 HA :: 4.279 HB2 :: 1.900 HB3 :: 1.451 HG :: 2.200 HD11 :: 0.789 HD12 :: 0.789 HD13 :: 0.789 HD21 :: 0.623 HD22 :: 0.623 HD23 :: 0.623 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.737 Ave N Shift Values>> N :: 121.98(4.07) 1.M181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 M 0.17 A 0.1 C Shift Assignments>> C :: 173.445 CA :: 56.502 CB :: 35.162 CG :: 35.139 CE :: 16.710 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.248 HA :: 4.528 HB2 :: 1.957 HB3 :: 1.957 HG2 :: 2.247 HG3 :: 2.445 HE1 :: 1.381 HE2 :: 1.381 HE3 :: 1.381 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 112.923 Ave N Shift Values>> N :: 120.1(3.88) 1.R182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.35 G 0.17 K 0.02 L 0.01 C Shift Assignments>> CA :: 55.791 CB :: 30.259 CG :: 27.051 CD :: 44.044 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.420 HA :: 4.218 HB2 :: 1.955 HB3 :: 1.955 HG2 :: 1.645 HG3 :: 1.930 HD2 :: 3.361 HD3 :: 3.175 HE :: 8.067 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.280 NE :: 85.634 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.P183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 176.046 CA :: 62.803 CB :: 32.547 CG :: 27.324 CD :: 50.451 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.651 HB2 :: 1.991 HB3 :: 1.349 HG2 :: 1.645 HG3 :: 1.645 HD2 :: 3.836 HD3 :: 3.571 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.23 L 0.13 C 0.11 F 0.06 Y 0.05 K 0.04 C Shift Assignments>> C :: 176.567 CA :: 53.017 CB :: 40.608 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.470 HA :: 4.585 HB2 :: 2.767 HB3 :: 2.539 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.350 Ave N Shift Values>> N :: 120.73(4.2) 1.F185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 C 0.41 C Shift Assignments>> C :: 176.271 CA :: 58.739 CB :: 39.102 CD1 :: 131.680 CD2 :: 131.680 CE1 :: 131.319 CE2 :: 131.319 CZ :: 129.424 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.134 HA :: 4.208 HB2 :: 3.118 HB3 :: 2.902 HD1 :: 7.147 HD2 :: 7.147 HE1 :: 7.231 HE2 :: 7.231 HZ :: 7.055 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.413 Ave N Shift Values>> N :: 120.69(4.18) 1.E186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.08 K 0.08 M 0.05 Q 0.03 C Shift Assignments>> C :: 176.706 CA :: 57.133 CB :: 29.647 CG :: 36.531 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.353 HA :: 4.209 HB2 :: 2.007 HB3 :: 2.112 HG2 :: 2.205 HG3 :: 2.250 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.339 Ave N Shift Values>> N :: 120.68(3.68) 1.N187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.21 C 0.15 Y 0.09 F 0.07 L 0.05 E 0.01 C Shift Assignments>> C :: 176.042 CA :: 53.510 CB :: 39.084 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.904 HA :: 4.700 HB2 :: 2.830 HB3 :: 2.999 HD21 :: 7.951 HD22 :: 7.034 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.428 ND2 :: 113.864 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 K 0.11 G 0.05 HN Overlap>> 1.E189 1.E189 C Shift Assignments>> C :: 177.168 CA :: 57.804 CB :: 30.392 CG :: 27.182 CD :: 43.203 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.554 HA :: 4.220 HB2 :: 1.908 HB3 :: 1.908 HG2 :: 1.699 HG3 :: 1.699 HD2 :: 3.216 HD3 :: 3.216 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.752 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 I 0.1 K 0.09 M 0.04 Q 0.03 HN Overlap>> 1.R188 1.R188 C Shift Assignments>> C :: 177.277 CA :: 57.510 CB :: 29.529 CG :: 36.448 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.555 HA :: 4.269 HB2 :: 1.907 HB3 :: 2.028 HG2 :: 2.147 HG3 :: 2.227 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.765 Ave N Shift Values>> N :: 120.68(3.68) 1.F190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.37 Y 0.37 C 0.24 HN Overlap>> 1.F75 1.F75 1.V137 1.V137 C Shift Assignments>> C :: 176.907 CA :: 59.478 CB :: 39.358 CD1 :: 131.842 CD2 :: 131.842 CE1 :: 129.817 CE2 :: 129.817 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.082 HA :: 4.493 HB2 :: 3.199 HB3 :: 3.199 HD1 :: 7.241 HD2 :: 7.241 HE1 :: 7.231 HE2 :: 7.231 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.132 Ave N Shift Values>> N :: 120.69(4.18) 1.L191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.33 R 0.07 HN Overlap>> 1.L117 1.L117 C Shift Assignments>> C :: 178.448 CA :: 56.783 CB :: 41.803 CG :: 27.085 CD1 :: 25.088 CD2 :: 23.633 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.217 HA :: 4.162 HB2 :: 1.764 HB3 :: 1.628 HG :: 1.695 HD11 :: 0.960 HD12 :: 0.960 HD13 :: 0.960 HD21 :: 0.924 HD22 :: 0.924 HD23 :: 0.924 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.489 Ave N Shift Values>> N :: 121.98(4.07) 1.S192 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 6.991 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.T193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.87 V 0.12 C Shift Assignments>> CB :: 68.762 CG2 :: 22.276 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.572 HA :: 3.974 HB :: 4.329 HG21 :: 1.266 HG22 :: 1.266 HG23 :: 1.266 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) 1.T194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> CA :: 62.216 CB :: 69.573 CG2 :: 21.490 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.918 HA :: 4.497 HB :: 4.338 HG21 :: 1.203 HG22 :: 1.203 HG23 :: 1.203 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.462 Ave N Shift Values>> N :: 115.7(5.05) 1.K195 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.75 C 0.24 C Shift Assignments>> CA :: 63.349 CB :: 36.507 CG1 :: 27.729 CG2 :: 19.284 CD1 :: 11.893 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.664 HA :: 3.747 HB :: 1.775 HG12 :: 1.151 HG13 :: 1.411 HG21 :: 0.771 HG22 :: 0.771 HG23 :: 0.771 HD11 :: 0.734 HD12 :: 0.734 HD13 :: 0.734 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) 1.H197 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> W 0.44 C 0.4 H 0.15 C Shift Assignments>> C :: 176.916 CA :: 61.324 CB :: 27.728 CE1 :: 138.301 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.519 HA :: 3.485 HB2 :: 1.411(S) HB3 :: 2.030 HD2 :: 6.745 HE1 :: 7.526 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) 1.Q198 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.26 K 0.26 Q 0.22 R 0.11 M 0.06 E 0.05 C Shift Assignments>> C :: 179.936 CA :: 58.163 CB :: 28.954 CG :: 32.928 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.346 HA :: 3.562 HB2 :: 1.999 HB3 :: 1.936 HG2 :: 2.278 HG3 :: 2.422 HE21 :: 6.787 HE22 :: 8.793(S) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.351 NE2 :: 116.305 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.271 CA :: 61.059 CB :: 62.914 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.972 HA :: 4.479 HB2 :: 4.021 HB3 :: 4.021 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.420 Ave N Shift Values>> N :: 116.3(3.95) 1.V200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 176.940 CA :: 67.445 CB :: 31.566 CG1 :: 22.140 CG2 :: 24.333 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.210 HA :: 3.407 HB :: 2.318 HG11 :: 0.938 HG12 :: 0.938 HG13 :: 0.938 HG21 :: 0.889 HG22 :: 0.889 HG23 :: 0.889 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.660 Ave N Shift Values>> N :: 121.02(4.96) 1.V201 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.020 CA :: 68.213 CB :: 30.908 CG1 :: 21.797 CG2 :: 24.824 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.269 HA :: 3.850 HB :: 2.673 HG11 :: 0.989 HG12 :: 0.989 HG13 :: 0.989 HG21 :: 1.200 HG22 :: 1.200 HG23 :: 1.200 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.153 Ave N Shift Values>> N :: 121.02(4.96) 1.E202 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.27 I 0.16 K 0.07 Q 0.07 M 0.04 HN Overlap>> 1.V158 1.V158 C Shift Assignments>> C :: 177.579 CA :: 60.663 CB :: 30.098 CG :: 35.294 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.306 HA :: 3.764 HB2 :: 2.487 HB3 :: 2.138 HG2 :: 2.052 HG3 :: 2.052 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.150 Ave N Shift Values>> N :: 120.68(3.68) 1.T203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.N91 1.N91 1.K43 1.K43 C Shift Assignments>> C :: 176.383 CA :: 67.401 CB :: 68.222 CG2 :: 22.092 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.213 HA :: 4.014 HB :: 4.255 HG21 :: 1.101 HG22 :: 1.101 HG23 :: 1.101 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.369 Ave N Shift Values>> N :: 115.7(5.05) 1.F204 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.26 C Shift Assignments>> C :: 175.738 CA :: 62.437 CB :: 38.418 CD1 :: 131.325 CD2 :: 131.325 CE1 :: 129.887 CE2 :: 129.887 CZ :: 128.257 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.893 HA :: 4.323 HB2 :: 2.999 HB3 :: 2.817 HD1 :: 6.767 HD2 :: 6.767 HE1 :: 6.447 HE2 :: 6.447 HZ :: 6.702 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.928 Ave N Shift Values>> N :: 120.69(4.18) 1.I205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 HN Overlap>> 1.F40 1.F40 C Shift Assignments>> C :: 178.825 CA :: 66.314 CB :: 38.921 CG1 :: 29.087 CG2 :: 16.414 CD1 :: 15.550 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.678 HA :: 3.618 HB :: 1.988 HG12 :: 0.684 HG13 :: 2.139 HG21 :: 0.810 HG22 :: 0.810 HG23 :: 0.810 HD11 :: 0.771 HD12 :: 0.771 HD13 :: 0.771 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 113.633 Ave N Shift Values>> N :: 121.6(4.72) 1.Q206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.22 K 0.21 M 0.1 E 0.09 R 0.04 I 0.01 HN Overlap>> 1.N156 1.N156 C Shift Assignments>> C :: 179.189 CA :: 58.865 CB :: 29.982 CG :: 33.279 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.036 HA :: 4.197 HB2 :: 2.217 HB3 :: 2.068 HG2 :: 2.418 HG3 :: 2.308 HE21 :: 7.522 HE22 :: 6.835 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.193 NE2 :: 112.199 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q207 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.29 R 0.17 M 0.07 C Shift Assignments>> C :: 174.380 CA :: 53.105 CB :: 24.695 CG :: 30.865 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.485 HA :: 4.790 HB2 :: 2.286 HB3 :: 1.968 HG2 :: 2.471 HG3 :: 2.306 HE21 :: 7.756 HE22 :: 7.674 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 112.971 NE2 :: 111.210 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C208 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 P 0.38 C 0.08 W 0.03 V 0.02 R 0.02 C Shift Assignments>> C :: 175.572 CA :: 62.952 CB :: 27.892 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 6.958 HA :: 4.324 HB2 :: 3.350 HB3 :: 3.035 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 121.208 Ave N Shift Values>> N :: 119.95(4.79) 1.Q209 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.21 Q 0.21 E 0.11 R 0.05 I 0.05 M 0.01 P 0.01 C Shift Assignments>> C :: 179.832 CA :: 59.552 CB :: 28.417 CG :: 33.989 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.033 HA :: 4.345 HB2 :: 2.138 HB3 :: 2.213 HG2 :: 2.549 HG3 :: 2.549 HE21 :: 7.640 HE22 :: 6.580 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.008 NE2 :: 112.178 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F210 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 C 0.31 F 0.17 C Shift Assignments>> C :: 176.582 CA :: 60.320 CB :: 38.920 CE1 :: 128.602 CE2 :: 128.602 CZ :: 131.484 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.059 HA :: 4.215 HB2 :: 2.735 HB3 :: 2.735 HD1 :: 6.300 HD2 :: 6.300 HE1 :: 6.016 HE2 :: 6.016 HZ :: 6.775 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.848 Ave N Shift Values>> N :: 120.69(4.18) 1.F211 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.64 C 0.35 C Shift Assignments>> C :: 177.714 CA :: 63.170 CB :: 39.165 CD1 :: 131.279 CD2 :: 131.279 CE1 :: 128.959 CE2 :: 128.959 CZ :: 131.539 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.128 HA :: 3.485 HB2 :: 2.151 HB3 :: 1.669(S) HD1 :: 6.956 HD2 :: 6.956 HE1 :: 6.774 HE2 :: 6.774 HZ :: 7.276 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.294 Ave N Shift Values>> N :: 120.69(4.18) 1.F212 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 F 0.36 C 0.25 C Shift Assignments>> C :: 175.705 CA :: 58.138 CB :: 41.043 CD1 :: 131.306 CD2 :: 131.306 CE1 :: 128.682 CE2 :: 128.682 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.149 HA :: 4.762 HB2 :: 2.361 HB3 :: 2.425 HD1 :: 6.767 HD2 :: 6.767 HE1 :: 6.530 HE2 :: 6.530 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 111.049 Ave N Shift Values>> N :: 120.69(4.18) 1.Y213 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 Y 0.49 C Shift Assignments>> C :: 175.411 CA :: 56.977 CB :: 38.662 CD1 :: 134.134 CD2 :: 134.134 CE1 :: 117.378 CE2 :: 117.378 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.615 HA :: 4.950 HB2 :: 3.537 HB3 :: 2.779 HD1 :: 7.186 HD2 :: 7.186 HE1 :: 6.776 HE2 :: 6.776 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.149 Ave N Shift Values>> N :: 120.79(4.69) 1.N214 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 C 0.26 E 0.12 Y 0.11 F 0.06 D 0.05 M 0.04 K 0.01 I 0.01 C Shift Assignments>> C :: 175.187 CA :: 54.414 CB :: 37.259 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.616 HA :: 4.384 HB2 :: 3.090 HB3 :: 2.784 HD21 :: 6.903 HD22 :: 7.678 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.939 ND2 :: 114.141 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G215 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.27 R 0.26 L 0.25 C 0.1 D 0.03 F 0.03 Y 0.01 K 0.01 C Shift Assignments>> C :: 173.197 CA :: 44.078 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.074 HA2 :: 4.454 HA3 :: 3.378 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.193 Ave N Shift Values>> N :: 109.91(4.29) 1.E216 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.36 M 0.16 K 0.04 Q 0.03 I 0.02 HN Overlap>> 1.L118 1.L118 C Shift Assignments>> C :: 177.544 CA :: 55.530 CB :: 30.847 CG :: 36.318 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.265 HA :: 4.420 HB2 :: 2.036 HB3 :: 1.803 HG2 :: 2.314 HG3 :: 2.368 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.896 Ave N Shift Values>> N :: 120.68(3.68) 1.I217 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 176.498 CA :: 63.359 CB :: 38.661 CG1 :: 29.620 CG2 :: 16.973 CD1 :: 13.336 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.693 HA :: 3.459 HB :: 1.404 HG12 :: -0.299(S) HG13 :: 1.189 HG21 :: 0.458 HG22 :: 0.458 HG23 :: 0.458 HD11 :: 0.334 HD12 :: 0.334 HD13 :: 0.334 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.645 Ave N Shift Values>> N :: 121.6(4.72) 1.V218 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.37 C Shift Assignments>> C :: 176.111 CA :: 61.237 CB :: 33.492 CG1 :: 21.437 CG2 :: 19.637 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.058 HA :: 4.366 HB :: 2.142 HG11 :: 0.977 HG12 :: 0.977 HG13 :: 0.977 HG21 :: 0.949 HG22 :: 0.949 HG23 :: 0.949 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.999 Ave N Shift Values>> N :: 121.02(4.96) 1.E219 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.37 I 0.11 M 0.08 K 0.03 Q 0.01 C Shift Assignments>> C :: 180.848 CA :: 58.691 CB :: 30.778 CG :: 36.589 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.399 HA :: 3.858 HB2 :: 1.839 HB3 :: 1.961 HG2 :: 2.152 HG3 :: 2.212 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 130.511 Ave N Shift Values>> N :: 120.68(3.68) ########################################################################### Overall Results: #Consistent: 202 #Clerical: 0 #Suspicious: 15 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 211 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 216 #Suspicious: 3 C Shift Results: #Consistent: 989 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent:1555 #Duplicate: 0 #Unknown: 0 #Suspicious: 19 #Anomalous: 1 N Shift Results: #Consistent: 222 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R16 HD2 = 2.164(S), Expected = 3.13, Std = 0.2300, ChiSquare = 2.6691e-05 1.Y59 SRO Rule Break>> HA > HB2 : 0.992304403591278 1.Q72 HE22 = 5.418(S), Expected = 7.07, Std = 0.4900, ChiSquare = 7.4779e-04 1.K73 HG3 = 0.245(S), Expected = 1.37, Std = 0.2900, ChiSquare = 1.0475e-04 1.K73 HE2 = 2.217(S), Expected = 2.93, Std = 0.2000, ChiSquare = 3.6386e-04 1.P110 HD2 = 2.284(S), Expected = 3.64, Std = 0.3600, ChiSquare = 1.6544e-04 1.Y111 HA = 2.579(S), Expected = 4.63, Std = 0.5600, ChiSquare = 2.4977e-04 1.Y111 SRO Rule Break>> HA > HB2 : 0.992304403591278 1.Y111 SRO Rule Break>> HA > HB3 : 0.996503496503496 1.H114 CE1 = 140.745(A), Expected = 136.05, Std = 3.5800, ChiSquare = 1.8970e-01 1.K134 HD3 = 0.584(S), Expected = 1.61, Std = 0.2500, ChiSquare = 4.0607e-05 1.P142 HD2 = 2.395(S), Expected = 3.64, Std = 0.3600, ChiSquare = 5.4353e-04 1.R149 HA = 1.940(A), Expected = 4.27, Std = 0.4400, ChiSquare = 1.1872e-07 1.R149 HB3 = 0.529(S), Expected = 1.78, Std = 0.2800, ChiSquare = 7.9007e-06 1.R149 HG3 = 0.432(S), Expected = 1.58, Std = 0.2700, ChiSquare = 2.1201e-05 1.R149 SRO Rule Break>> HA > HD2 : 0.991153846153846 1.I152 HG13 = -0.265(S), Expected = 1.24, Std = 0.4000, ChiSquare = 1.6822e-04 1.L155 HD11 = -0.229(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.1560e-04 1.L155 HD12 = -0.229(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.1560e-04 1.L155 HD13 = -0.229(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.1560e-04 1.P178 HG2 = -0.315(S), Expected = 1.93, Std = 0.3600, ChiSquare = 4.4858e-10 1.H197 HB2 = 1.411(S), Expected = 3.12, Std = 0.4300, ChiSquare = 7.0551e-05 1.Q198 HE22 = 8.793(S), Expected = 7.07, Std = 0.4900, ChiSquare = 4.3756e-04 1.F211 HB3 = 1.669(S), Expected = 2.97, Std = 0.3800, ChiSquare = 6.1778e-04 1.I217 HG12 = -0.299(S), Expected = 1.30, Std = 0.4000, ChiSquare = 6.4015e-05