Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.E1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 176.2039 CA :: 45.3931 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3724 HA2 :: 3.9244 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.0758 Ave N Shift Values>> N :: 109.67(3.87) 1.Q7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.28 Q 0.22 K 0.03 E 0.02 C Shift Assignments>> C :: 173.1441 CA :: 55.1125 CB :: 31.5673 CG :: 33.1703 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.0102 HA :: 4.7612 HB2 :: 1.7306 HB3 :: 2.1291 HE21 :: 7.2537 HE22 :: 6.4960 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.8195 NE2 :: 110.0200 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 C 0.09 L 0.08 R 0.05 F 0.04 Y 0.02 C Shift Assignments>> C :: 174.0229 CA :: 58.9719 CB :: 45.0591 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.3274 HA :: 4.5275 HB2 :: 2.3753 HB3 :: 3.2723 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.9668 Ave N Shift Values>> N :: 120.17(4.64) 1.N9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.26 L 0.08 C 0.06 F 0.05 Y 0.05 HN Overlap>> 1.F88 1.F88 C Shift Assignments>> C :: 175.0270 CA :: 52.5127 CB :: 39.6429 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.6858 HA :: 5.2486 HB2 :: 2.8026 HB3 :: 3.2137 HD21 :: 7.7297 HD22 :: 7.1033 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.7224 ND2 :: 113.1637 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.26 C Shift Assignments>> C :: 173.5165 CA :: 51.8135 CB :: 16.9868 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4010 HA :: 4.4289 HB1 :: 1.5387 HB2 :: 1.5387 HB3 :: 1.5387 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.4031 Ave N Shift Values>> N :: 123.23(3.54) 1.P11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 172.8060 CA :: 62.4511 CB :: 31.5519 CG :: 27.1661 CD :: 49.8261 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.9077 HB2 :: 0.7550(S) HB3 :: 1.2616 HG2 :: 0.2060(S) HD2 :: 2.8938 HD3 :: 3.2527 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.27 Q 0.14 K 0.12 M 0.09 I 0.01 C Shift Assignments>> C :: 172.8348 CA :: 56.1746 CB :: 29.9639 CG :: 35.5908 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.4433 HA :: 4.1908 HB2 :: 2.0569 HG2 :: 2.3910 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.2956 Ave N Shift Values>> N :: 120.67(3.48) 1.W13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.56 C 0.43 C Shift Assignments>> C :: 174.2363 CA :: 59.9122 CB :: 29.0334 CD1 :: 127.2073 CE3 :: 120.5571 CZ2 :: 114.4718 CZ3 :: 121.1886 CH2 :: 124.0969 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.6738 HA :: 3.9320 HB2 :: 3.1232 HB3 :: 3.2683 HD1 :: 7.2261 HE1 :: 10.0488 HE3 :: 7.3941 HZ2 :: 7.3894 HZ3 :: 7.0463 HH2 :: 7.2045 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 124.7463 NE1 :: 130.0747 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.44 G 0.27 A 0.18 C 0.09 C Shift Assignments>> CA :: 49.9650 CB :: 42.8931 CG :: 25.7170 CD1 :: 25.3715 CD2 :: 22.5285 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.9218 HA :: 4.5565 HB2 :: 1.3205 HB3 :: -0.2689(S) HG :: 1.4416 HD11 :: 0.2995 HD12 :: 0.2995 HD13 :: 0.2995 HD21 :: 0.5817 HD22 :: 0.5817 HD23 :: 0.5817 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.7821 Ave N Shift Values>> N :: 121.86(3.9) 1.P15 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 :: 172.9610 CA :: 63.5401 CB :: 31.4370 CG :: 27.3144 CD :: 50.5650 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.5980 HB2 :: 1.9196 HB3 :: 2.4042 HG2 :: 2.0395 HG3 :: 2.2076 HD2 :: 3.4096 HD3 :: 3.5080 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.F16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.51 F 0.35 C 0.13 C Shift Assignments>> C :: 175.5353 CA :: 53.8571 CB :: 40.7746 CD1 :: 132.5460 CD2 :: 132.5460 CE1 :: 131.8991 CE2 :: 131.8991 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 5.5875(S) HA :: 3.6089 HB2 :: 2.2873 HB3 :: 2.4988 HD1 :: 6.9179 HD2 :: 6.9179 HE1 :: 7.3344 HE2 :: 7.3344 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 106.8630 Ave N Shift Values>> N :: 120.45(4.18) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 K 0.17 C 0.16 P 0.05 R 0.03 A 0.01 Q 0.01 C Shift Assignments>> C :: 175.9184 CA :: 51.8685 CB :: 24.7298 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.3486 HA :: 5.1430 HB1 :: 1.4641 HB2 :: 1.4641 HB3 :: 1.4641 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.2144 Ave N Shift Values>> N :: 123.23(3.54) 1.R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 C 0.14 H 0.13 W 0.12 E 0.11 P 0.07 Q 0.06 M 0.06 V 0.05 K 0.05 I 0.01 C Shift Assignments>> C :: 178.4991 CB :: 30.8647 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.2187 HA :: 4.6968 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.1597 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.P19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.54 C 0.45 C Shift Assignments>> C :: 171.5546(S) CA :: 61.3812 CB :: 31.5476 CG :: 27.1059 CD :: 50.1763 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.6691 HB2 :: 1.5377 HB3 :: 1.7249 HG2 :: 1.8428 HD2 :: 3.1910 HD3 :: 3.5036 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.T20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.3641 CA :: 63.1801 CB :: 68.1545 CG2 :: 22.1502 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.0618 HA :: 3.9055 HB :: 4.0854 HG21 :: 0.8925 HG22 :: 0.8925 HG23 :: 0.8925 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.8229 Ave N Shift Values>> N :: 115.42(4.75) 1.Q21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.36 Q 0.26 C 0.24 K 0.06 E 0.05 C Shift Assignments>> C :: 174.8153 CA :: 54.3668 CB :: 31.1161 CG :: 33.8170 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.7580 HA :: 4.5010 HB2 :: 1.9104 HB3 :: 2.0173 HG2 :: 2.2353 HE21 :: 7.5011 HE22 :: 6.9094 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.7362 NE2 :: 112.2662 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.29 R 0.02 C Shift Assignments>> C :: 172.1665 CA :: 55.2969 CB :: 42.0343 CG :: 27.1146 CD1 :: 23.9228 CD2 :: 24.8554 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.4584 HA :: 4.3607 HB2 :: 1.5562 HG :: 1.5652 HD11 :: 0.8172 HD12 :: 0.8172 HD13 :: 0.8172 HD21 :: 0.8847 HD22 :: 0.8847 HD23 :: 0.8847 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.5833 Ave N Shift Values>> N :: 121.86(3.9) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 175.7027 CA :: 60.3583 CB :: 70.1099 CG2 :: 20.9078 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.3247 HA :: 4.6335 HB :: 4.3179 HG21 :: 1.2581 HG22 :: 1.2581 HG23 :: 1.2581 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.7303 Ave N Shift Values>> N :: 115.42(4.75) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.3 L 0.11 F 0.07 C 0.06 Y 0.06 C Shift Assignments>> C :: 173.6416 CA :: 53.2132 CB :: 39.9215 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.4871 HA :: 4.7423 HB2 :: 2.7333 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.8386 Ave N Shift Values>> N :: 120.65(3.86) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.27 C 0.24 E 0.07 M 0.05 R 0.03 C Shift Assignments>> C :: 174.2491 CA :: 56.1502 CB :: 29.3434 CG :: 33.8611 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.9310 HA :: 4.0734 HB2 :: 1.6616 HG2 :: 1.9613 HG3 :: 2.1578 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.5234 Ave N Shift Values>> N :: 120.67(3.48) 1.F26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.41 F 0.41 C 0.17 C Shift Assignments>> C :: 174.8850 CA :: 57.5137 CB :: 40.4826 CD1 :: 132.1931 CD2 :: 132.1931 CE1 :: 131.4236 CE2 :: 131.4236 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.2786 HA :: 4.7463 HB2 :: 3.0930 HB3 :: 2.9838 HD1 :: 7.2237 HD2 :: 7.2237 HE1 :: 7.2290 HE2 :: 7.2290 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.5002 Ave N Shift Values>> N :: 120.45(4.18) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.26 Q 0.22 K 0.04 E 0.01 C Shift Assignments>> C :: 174.9005 CA :: 54.2729 CB :: 31.3730 CG :: 33.1586 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.0217 HA :: 5.0098 HB2 :: 1.6279 HB3 :: 1.8216 HG2 :: 2.1249 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.0801 Ave N Shift Values>> N :: 120.67(3.48) 1.F28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.45 F 0.41 C 0.12 HN Overlap>> 1.N77 1.N77 C Shift Assignments>> C :: 176.7085 CA :: 54.7760 CB :: 41.7460 CD1 :: 132.4076 CD2 :: 132.4076 CE1 :: 131.4945 CE2 :: 131.4945 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.9744 HA :: 4.9686 HB2 :: 2.7957 HB3 :: 3.1394 HD1 :: 7.2982 HD2 :: 7.2982 HE1 :: 7.2807 HE2 :: 7.2807 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.6554 Ave N Shift Values>> N :: 120.45(4.18) 1.P29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.34 C Shift Assignments>> C :: 171.1626(S) CA :: 62.4173 CB :: 32.6553 CG :: 27.4350 CD :: 50.7294 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.5879 HB2 :: 1.8099 HB3 :: 2.3819 HG2 :: 2.0081 HD2 :: 3.8095 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 172.2829 CA :: 64.0461 CB :: 37.4486 CG1 :: 28.3124 CG2 :: 17.4356 CD1 :: 13.3481 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.1988 HA :: 3.4102 HB :: 1.5724 HG12 :: 1.0453 HG13 :: 1.3513 HG21 :: 0.7698 HG22 :: 0.7698 HG23 :: 0.7698 HD11 :: 0.7432 HD12 :: 0.7432 HD13 :: 0.7432 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.2383 Ave N Shift Values>> N :: 121.46(4.28) 1.G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.25 R 0.14 C 0.04 F 0.03 D 0.02 Y 0.01 HN Overlap>> 1.T58 1.T58 C Shift Assignments>> C :: 174.9269 CA :: 44.4227 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.0609 HA2 :: 4.3899 HA3 :: 3.4697 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.9622 Ave N Shift Values>> N :: 109.67(3.87) 1.T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 T 0.39 HN Overlap>> 1.K93 1.K93 C Shift Assignments>> C :: 176.7230 CA :: 65.7108 CB :: 70.0840 CG2 :: 24.6202 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.7041 HA :: 4.0809 HB :: 3.9588 HG21 :: 1.4741 HG22 :: 1.4741 HG23 :: 1.4741 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.1516 Ave N Shift Values>> N :: 115.42(4.75) 1.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.75 C 0.24 C Shift Assignments>> C :: 173.8354 CA :: 55.8630 CB :: 40.8759 CD1 :: 133.1657 CD2 :: 133.1657 CE1 :: 118.1535 CE2 :: 118.1535 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.5421 HA :: 5.7917 HB2 :: 2.7102 HB3 :: 3.0714 HD1 :: 7.2040 HD2 :: 7.2040 HE1 :: 6.8101 HE2 :: 6.8101 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 125.0936 Ave N Shift Values>> N :: 120.52(4.2) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 C 0.16 A 0.12 L 0.11 C Shift Assignments>> C :: 172.8077 CA :: 53.1830 CB :: 45.9383 CG :: 26.5507 CD1 :: 22.6631 CD2 :: 26.3450 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.0000 HA :: 4.7839 HB2 :: 1.1148 HB3 :: 1.3805 HG :: 1.2844 HD11 :: 0.7187 HD12 :: 0.7187 HD13 :: 0.7187 HD21 :: -0.0848 HD22 :: -0.0848 HD23 :: -0.0848 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.7136 Ave N Shift Values>> N :: 121.86(3.9) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 D 0.22 F 0.11 Y 0.11 C 0.09 L 0.07 C Shift Assignments>> C :: 174.7830 CA :: 54.2316 CB :: 39.1914 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.5438 HA :: 4.8996 HB2 :: 2.5973 HB3 :: 2.9004 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.6173 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.12 Y 0.09 HN Overlap>> 1.I111 1.I111 C Shift Assignments>> C :: 174.9110 CA :: 56.9008 CB :: 44.8420 CD1 :: 131.4188 CD2 :: 131.4188 CE1 :: 117.1692 CE2 :: 117.1692 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.3240 HA :: 4.6860 HD1 :: 6.3973 HD2 :: 6.3973 HE1 :: 6.0826 HE2 :: 6.0826 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 126.7384 Ave N Shift Values>> N :: 120.52(4.2) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.25 C 0.18 K 0.13 H 0.11 R 0.1 Q 0.1 W 0.05 E 0.02 HN Overlap>> 1.S48 1.S68 1.S48 1.S68 C Shift Assignments>> C :: 173.6941 CA :: 53.1190 CB :: 32.6260 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.5530 HA :: 4.7096 HB2 :: 1.7589 HB3 :: 1.8934 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.1164 Ave N Shift Values>> N :: 120.67(3.48) 1.C38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 C 0.18 Y 0.12 E 0.1 F 0.09 D 0.05 M 0.05 L 0.01 I 0.01 C Shift Assignments>> C :: 173.5532 CA :: 54.4797 CB :: 37.4872 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.7835 HA :: 5.0514 HB2 :: 2.6933 HB3 :: 2.9915 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.0861 Ave N Shift Values>> N :: 120.17(4.64) 1.R39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 H 0.14 K 0.14 E 0.12 W 0.12 R 0.11 C 0.11 M 0.04 I 0.01 C Shift Assignments>> C :: 176.8220 CA :: 56.3108 CB :: 29.3435 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.8978 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.4184 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.45 V 0.35 C 0.12 I 0.03 W 0.02 C Shift Assignments>> CA :: 64.0555 CB :: 31.3353 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.3802 HB2 :: 2.9886 HB3 :: 3.1278 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.3 L 0.3 G 0.21 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 177.5464 CA :: 43.8988 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3776 HA2 :: 2.2101(S) HA3 :: 3.0739 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.0386 Ave N Shift Values>> N :: 109.67(3.87) 1.Y42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 Y 0.42 C Shift Assignments>> C :: 174.0054 CA :: 56.4950 CB :: 40.9807 CD1 :: 130.6681 CD2 :: 130.6681 CE1 :: 118.0311 CE2 :: 118.0311 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.1746 HA :: 5.0209 HB2 :: 2.5491 HB3 :: 3.5063 HD1 :: 7.1994 HD2 :: 7.1994 HE1 :: 6.8259 HE2 :: 6.8259 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.6822 Ave N Shift Values>> N :: 120.52(4.2) 1.S43 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 :: 175.4418 CA :: 56.5338 CB :: 65.6421 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.7107 HA :: 4.8192 HB2 :: 3.7093 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.8545 Ave N Shift Values>> N :: 116.28(3.52) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 175.8758 CA :: 45.2679 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2885 HA2 :: 3.9091 HA3 :: 5.0994 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.4350 Ave N Shift Values>> N :: 109.67(3.87) 1.R45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.3 K 0.1 G 0.09 L 0.03 C Shift Assignments>> C :: 175.4126 CA :: 54.7404 CB :: 29.6341 CD :: 43.4588 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.3499 HA :: 4.7390 HB2 :: 1.8466 HB3 :: 2.0251 HD2 :: 3.3091 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.1988 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 173.7023 CA :: 64.4699 CB :: 32.1880 CG :: 27.8155 CD :: 50.4187 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.6582 HB2 :: 2.5352 HG2 :: 2.1132 HD2 :: 3.6176 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 Y 0.21 C 0.17 C Shift Assignments>> C :: 176.8862 CA :: 55.5664 CB :: 41.2642 CD1 :: 130.9855 CD2 :: 130.9855 CE1 :: 130.3747 CE2 :: 130.3747 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.0174 HA :: 5.1630 HB2 :: 3.0173 HD1 :: 7.1904 HD2 :: 7.1904 HE1 :: 7.3507 HE2 :: 7.3507 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.3879 Ave N Shift Values>> N :: 120.45(4.18) 1.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 HN Overlap>> 1.E37 1.E37 1.S68 1.S68 C Shift Assignments>> C :: 174.9776 CA :: 56.6681 CB :: 66.1518 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5405 HA :: 5.7709 HB2 :: 3.6247 HB3 :: 3.9117 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.0563 Ave N Shift Values>> N :: 116.28(3.52) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 174.5350 CA :: 60.0445 CB :: 40.3545 CG2 :: 17.7154 CD1 :: 13.4710 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.6374 HA :: 5.0650 HB :: 1.8626 HG21 :: 0.4851 HG22 :: 0.4851 HG23 :: 0.4851 HD11 :: -0.1707 HD12 :: -0.1707 HD13 :: -0.1707 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 115.6691 Ave N Shift Values>> N :: 121.46(4.28) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.42 G 0.02 C Shift Assignments>> C :: 174.0334 CA :: 59.6555 CB :: 42.3303 CG1 :: 27.3211 CG2 :: 16.9106 CD1 :: 14.3785 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.6866 HA :: 5.2859 HB :: 1.3410 HG12 :: 1.0137 HG13 :: 0.2046 HG21 :: 0.5643 HG22 :: 0.5643 HG23 :: 0.5643 HD11 :: 0.5949 HD12 :: 0.5949 HD13 :: 0.5949 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.2150 Ave N Shift Values>> N :: 121.46(4.28) 1.C51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.27 Y 0.17 F 0.15 C 0.14 D 0.14 L 0.05 E 0.02 I 0.01 M 0.01 C Shift Assignments>> C :: 174.9459 CA :: 55.0658 CB :: 38.6115 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.9931 HA :: 3.7516 HB2 :: 1.1755(S) HB3 :: 2.2444 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 126.2568 Ave N Shift Values>> N :: 120.17(4.64) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 G 0.24 C 0.18 A 0.1 R 0.01 C Shift Assignments>> C :: 172.1951 CA :: 54.3438 CB :: 44.2044 CG :: 26.3420 CD1 :: 25.2930 CD2 :: 22.2973 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.8262 HA :: 4.4164 HB2 :: 1.4874 HG :: 1.6684 HD11 :: 0.8039 HD12 :: 0.8039 HD13 :: 0.8039 HD21 :: 0.7296 HD22 :: 0.7296 HD23 :: 0.7296 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 132.5139 Ave N Shift Values>> N :: 121.86(3.9) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.45 G 0.05 K 0.02 HN Overlap>> 1.S107 1.S107 C Shift Assignments>> C :: 173.7808 CA :: 57.9828 CB :: 31.2077 CG :: 26.9431 CD :: 26.9734 CE :: 43.2872 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.9491 HA :: 3.9884 HB2 :: 1.4659 HB3 :: 1.5439 HG2 :: 1.3526 HG3 :: 1.3783 HD2 :: 1.4546 HE2 :: 2.6379 HE3 :: 2.7480 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.2544 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 C 0.23 E 0.15 M 0.13 Y 0.05 F 0.03 K 0.03 Q 0.01 D 0.01 C Shift Assignments>> CA :: 53.5397 CB :: 36.3724 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.4318 HA :: 4.5359 HB2 :: 2.7830 HB3 :: 3.0296 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.2826 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.7904 CB :: 60.8695 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4575 HA :: 3.9691 HB2 :: 4.0704 HB3 :: 4.1229 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.5947 Ave N Shift Values>> N :: 116.28(3.52) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 V 0.33 C Shift Assignments>> C :: 175.3466 CA :: 59.8837 CB :: 34.8367 CG1 :: 19.9130 CG2 :: 20.3860 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.8403 HA :: 4.3328 HB :: 1.9666 HG11 :: 0.8770 HG12 :: 0.8770 HG13 :: 0.8770 HG21 :: 0.7927 HG22 :: 0.7927 HG23 :: 0.7927 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.6800 Ave N Shift Values>> N :: 121.14(4.54) 1.W57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 C 0.45 C Shift Assignments>> C :: 170.7363 CA :: 55.9374 CB :: 30.7911 CD1 :: 126.9455 CE3 :: 120.9222 CZ2 :: 113.1909 CZ3 :: 121.8935 CH2 :: 122.9303 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.3103 HA :: 5.3224 HB2 :: 2.9731 HB3 :: 3.0552 HD1 :: 7.3312 HE1 :: 10.2378 HE3 :: 7.0416 HZ2 :: 6.9144 HZ3 :: 6.7581 HH2 :: 6.2353 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.5102 NE1 :: 128.7202 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 HN Overlap>> 1.G31 1.G31 C Shift Assignments>> C :: 175.7803 CA :: 61.3758 CB :: 70.7229 CG2 :: 21.8382 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.0257 HA :: 4.6560 HB :: 4.1594 HG21 :: 1.3172 HG22 :: 1.3172 HG23 :: 1.3172 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.9619 Ave N Shift Values>> N :: 115.42(4.75) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.8807 CA :: 45.3441 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2924 HA2 :: 3.9280 HA3 :: 4.5262 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.5211 Ave N Shift Values>> N :: 109.67(3.87) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.04 C 0.01 C Shift Assignments>> C :: 172.7857 CA :: 51.6968 CB :: 19.7136 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4431 HA :: 4.1534 HB1 :: 1.2122 HB2 :: 1.2122 HB3 :: 1.2122 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.8568 Ave N Shift Values>> N :: 123.23(3.54) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.45 R 0.08 C Shift Assignments>> C :: 172.5188 CA :: 57.9445 CB :: 32.6318 CG :: 24.9712 CD :: 29.4076 CE :: 41.8946 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.6120 HA :: 3.7440 HB2 :: 1.6137 HB3 :: 1.6654 HG2 :: 1.2514 HG3 :: 1.3423 HD2 :: 1.5916 HE2 :: 2.9665 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.3178 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.2 Y 0.18 D 0.18 F 0.18 C 0.12 L 0.08 I 0.02 C Shift Assignments>> C :: 173.6997 CA :: 55.3839 CB :: 39.1701 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.5549 HA :: 4.1166 HB2 :: 2.5283 HB3 :: 2.7483 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.2136 Ave N Shift Values>> N :: 120.65(3.86) 1.R63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.37 C 0.35 R 0.24 G 0.02 C Shift Assignments>> C :: 171.6383 CA :: 55.9271 CB :: 32.1572 CG :: 25.4990 CD :: 42.6495 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.3518 HA :: 3.8803 HB2 :: 0.9467 HB3 :: 1.1415 HG2 :: 0.0475(S) HG3 :: 0.8292 HD2 :: 2.4957 HD3 :: 2.7334 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.0064 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.C64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.2 G 0.17 D 0.16 C 0.04 F 0.02 K 0.02 Y 0.01 N 0.01 C Shift Assignments>> C :: 175.5755 CA :: 52.8516 CB :: 43.5759 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.5867 HA :: 5.5742 HB2 :: 2.4226 HB3 :: 2.9435 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 115.0001 Ave N Shift Values>> N :: 120.17(4.64) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.35 G 0.1 K 0.06 C Shift Assignments>> C :: 173.5660 CA :: 54.2386 CB :: 32.8020 CG :: 26.9711 CD :: 43.3601 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.9837 HA :: 4.7601 HB2 :: 1.6895 HB3 :: 1.8016 HG2 :: 1.5548 HD2 :: 3.1199 HD3 :: 3.2853 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.4398 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.R66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 K 0.17 R 0.16 G 0.08 C Shift Assignments>> C :: 172.1190 CA :: 58.2976 CB :: 31.2683 CG :: 29.7462 CD :: 43.3848 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.1626 HA :: 3.6514 HB2 :: 1.6952 HB3 :: 1.7360 HG2 :: 1.3545 HD2 :: 3.1243 HD3 :: 3.2779 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.6440 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.41 K 0.09 C Shift Assignments>> C :: 173.7911 CA :: 57.1984 CB :: 35.2140 CG :: 27.3603 CD :: 30.0860 CE :: 42.0092 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.6011 HA :: 4.1166 HB2 :: 1.7303 HB3 :: 1.2508 HG2 :: 1.0790 HD2 :: 1.0807 HE2 :: 2.6681 HE3 :: 2.8236 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.2169 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> 1.E37 1.S48 1.E37 1.S48 C Shift Assignments>> C :: 175.0186 CA :: 58.2274 CB :: 65.3868 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4942 HA :: 4.7648 HB2 :: 3.5409 HB3 :: 3.7326 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.1201 Ave N Shift Values>> N :: 116.28(3.52) 1.C69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 F 0.25 Y 0.21 C 0.15 K 0.03 L 0.01 C Shift Assignments>> C :: 176.0762 CA :: 61.2671 CB :: 40.7677 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.3594 HA :: 4.0684 HB2 :: 2.1448 HB3 :: 2.2136 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 122.8576 Ave N Shift Values>> N :: 120.17(4.64) 1.R70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.37 G 0.11 K 0.02 HN Overlap>> 1.S90 1.S90 C Shift Assignments>> C :: 173.0767 CA :: 55.9803 CB :: 30.4594 CG :: 27.1273 CD :: 43.7124 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.4958 HA :: 4.1660 HB2 :: 1.8175 HB3 :: 1.9055 HG2 :: 1.6886 HD2 :: 3.2926 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.1454 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 D 0.11 C 0.09 Y 0.04 F 0.04 L 0.02 C Shift Assignments>> C :: 175.1167 CA :: 52.1119 CB :: 38.3672 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.6915 HA :: 4.7336 HB2 :: 2.6918 HB3 :: 2.7198 HD21 :: 7.5864 HD22 :: 6.8882 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.3025 ND2 :: 113.3127 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P72 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.57 C 0.42 C Shift Assignments>> C :: 172.2280 CA :: 61.6662 CB :: 32.4872 CG :: 27.2241 CD :: 50.5927 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.4834 HB2 :: 1.7735 HB3 :: 2.1893 HG2 :: 1.8715 HG3 :: 1.9560 HD2 :: 3.6749 HD3 :: 3.8157 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.26 L 0.15 F 0.07 C 0.06 Y 0.05 K 0.02 C Shift Assignments>> C :: 173.9512 CA :: 53.1793 CB :: 40.4995 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.2007 HA :: 4.6422 HB2 :: 2.2544 HB3 :: 2.7641 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.1843 Ave N Shift Values>> N :: 120.65(3.86) 1.P75 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 :: 172.3495 CA :: 61.9112 CB :: 31.2346 CG :: 27.6435 CD :: 50.3165 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.2359 HB2 :: 1.2710 HB3 :: 2.1204 HG2 :: 1.7010 HD2 :: 3.3047 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 HN Overlap>> 1.L102 1.L102 C Shift Assignments>> C :: 171.2310 CA :: 64.6643 CB :: 30.8507 CG1 :: 21.9508 CG2 :: 21.0369 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.2509 HA :: 3.6592 HB :: 1.8713 HG11 :: 1.0048 HG12 :: 1.0048 HG13 :: 1.0048 HG21 :: 0.9191 HG22 :: 0.9191 HG23 :: 0.9191 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.7448 Ave N Shift Values>> N :: 121.14(4.54) 1.N77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.28 C 0.23 M 0.13 Y 0.08 N 0.08 K 0.05 F 0.05 Q 0.02 I 0.01 HN Overlap>> 1.F28 1.F28 C Shift Assignments>> C :: 176.1674 CA :: 55.5199 CB :: 36.2418 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.9942 HA :: 4.0008 HB2 :: 1.5066(S) HB3 :: 2.5831 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.7024 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 C 0.06 L 0.04 A 0.01 C Shift Assignments>> C :: 177.7319 CA :: 47.0976 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6371 HA2 :: 4.2871 HA3 :: 4.4114 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.2545 Ave N Shift Values>> N :: 109.67(3.87) 1.M79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 M 0.34 A 0.24 C Shift Assignments>> C :: 175.1283 CA :: 54.8899 CB :: 36.8367 CG :: 31.6172 CE :: 16.9345 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.8192 HA :: 4.8867 HB2 :: 1.6394 HG2 :: 2.1204 HE1 :: 1.8438 HE2 :: 1.8438 HE3 :: 1.8438 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.5288 Ave N Shift Values>> N :: 120.09(3.57) 1.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 V 0.05 I 0.03 A 0.01 C Shift Assignments>> C :: 176.5726 CA :: 59.0094 CB :: 34.5020 CG1 :: 23.8894 CG2 :: 18.3033 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.7963 HA :: 4.6034 HB :: 1.8087 HG11 :: 0.2232 HG12 :: 0.2232 HG13 :: 0.2232 HG21 :: 0.6996 HG22 :: 0.6996 HG23 :: 0.6996 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.5110 Ave N Shift Values>> N :: 121.14(4.54) 1.H81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.44 W 0.36 C 0.19 C Shift Assignments>> C :: 175.5004 CA :: 53.6853 CB :: 29.0078 CD2 :: 120.1981 CE1 :: 137.0563 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.9766 HA :: 4.7141 HB2 :: 2.8988 HB3 :: 2.9701 HD2 :: 6.6887 HE1 :: 8.5061 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 125.1998 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 173.2570 CA :: 62.1984 CB :: 31.3405 CG1 :: 21.7626 CG2 :: 20.6082 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.9264 HA :: 4.1722 HB :: 2.0760 HG11 :: 0.8444 HG12 :: 0.8444 HG13 :: 0.8444 HG21 :: 0.7691 HG22 :: 0.7691 HG23 :: 0.7691 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.4563 Ave N Shift Values>> N :: 121.14(4.54) 1.I83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> C :: 172.7443 CA :: 62.9343 CB :: 39.1725 CG1 :: 27.4402 CG2 :: 17.8947 CD1 :: 12.9348 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.9784 HA :: 4.1510 HB :: 1.9440 HG12 :: 1.2141 HG13 :: 1.4556 HG21 :: 0.9473 HG22 :: 0.9473 HG23 :: 0.9473 HD11 :: 0.8049 HD12 :: 0.8049 HD13 :: 0.8049 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.7559 Ave N Shift Values>> N :: 121.46(4.28) 1.K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.35 R 0.11 C Shift Assignments>> C :: 172.8002 CA :: 55.3829 CB :: 32.8524 CG :: 25.0570 CD :: 29.0467 CE :: 42.0528 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.4151 HA :: 4.5771 HB2 :: 1.7779 HB3 :: 2.0812 HG2 :: 1.4419 HG3 :: 1.4685 HD2 :: 1.7163 HE2 :: 2.9928 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.4271 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.16 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 176.2210 CA :: 44.8821 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8567 HA2 :: 3.8540 HA3 :: 4.3736 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.7766 Ave N Shift Values>> N :: 109.67(3.87) 1.I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 174.8831 CA :: 60.6574 CB :: 38.7110 CG2 :: 18.5538 CD1 :: 13.7929 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.0761 HA :: 4.9578 HB :: 2.4889 HG21 :: 1.0083 HG22 :: 1.0083 HG23 :: 1.0083 HD11 :: 0.9291 HD12 :: 0.9291 HD13 :: 0.9291 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 109.1306 Ave N Shift Values>> N :: 121.46(4.28) 1.Q87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.24 M 0.23 E 0.13 K 0.1 C Shift Assignments>> C :: 172.9886 CA :: 55.5012 CB :: 30.6739 CG :: 34.3532 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.6824 HA :: 4.6662 HB2 :: 1.8342 HB3 :: 1.9727 HE21 :: 7.4172 HE22 :: 6.8607 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.7321 NE2 :: 112.0347 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.35 C 0.21 HN Overlap>> 1.N9 1.N9 C Shift Assignments>> C :: 173.6805 CA :: 58.6852 CB :: 40.1191 CD1 :: 130.9733 CD2 :: 130.9733 CE1 :: 131.8809 CE2 :: 131.8809 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.6150 HA :: 3.8800 HB2 :: 2.3988 HB3 :: 3.0715 HD1 :: 6.7426 HD2 :: 6.7426 HE1 :: 7.3951 HE2 :: 7.3951 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.7730 Ave N Shift Values>> N :: 120.45(4.18) 1.G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.24 R 0.12 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.6621 CA :: 44.4910 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.0856 HA2 :: 3.2943 HA3 :: 3.9614 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 119.5073 Ave N Shift Values>> N :: 109.67(3.87) 1.S90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.R70 1.R70 C Shift Assignments>> C :: 177.2474 CA :: 60.1113 CB :: 64.2805 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5729 HA :: 4.4154 HB2 :: 3.9011 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.1276 Ave N Shift Values>> N :: 116.28(3.52) 1.Q91 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.48 C 0.34 Q 0.09 E 0.07 HN Overlap>> 1.Y100 1.Y100 C Shift Assignments>> C :: 172.7954 CA :: 54.1647 CB :: 32.7439 CG :: 34.6718 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.2112 HA :: 5.8188(S) HB2 :: 1.9737 HB3 :: 2.0576 HG2 :: 2.3467 HG3 :: 2.4206 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.9135 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 I 0.49 C Shift Assignments>> C :: 174.9689 CA :: 59.8268 CB :: 40.7944 CG2 :: 19.7444 CD1 :: 12.5080 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.2148 HA :: 4.7566 HB :: 1.2573 HG21 :: 0.7096 HG22 :: 0.7096 HG23 :: 0.7096 HD11 :: -0.6638(S) HD12 :: -0.6638(S) HD13 :: -0.6638(S) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.7239 Ave N Shift Values>> N :: 121.46(4.28) 1.K93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.27 R 0.22 G 0.02 HN Overlap>> 1.T32 1.T32 C Shift Assignments>> C :: 174.5989 CA :: 53.7132 CB :: 36.8274 CG :: 25.3251 CD :: 28.8306 CE :: 42.1037 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.5997 HA :: 5.2352 HB2 :: 1.5224 HB3 :: 1.9403 HG2 :: 1.3347 HG3 :: 1.3702 HD2 :: 1.6138 HE2 :: 2.8438 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.1351 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.47 G 0.33 C 0.16 Y 0.02 C Shift Assignments>> C :: 174.4071 CA :: 56.9352 CB :: 43.9586 CD1 :: 130.5401 CD2 :: 130.5401 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.6013 HA :: 5.4219 HB2 :: 2.4769 HB3 :: 2.6864 HD1 :: 6.6722 HD2 :: 6.6722 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.0043 Ave N Shift Values>> N :: 120.52(4.2) 1.S95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.85 T 0.14 C Shift Assignments>> C :: 177.1362 CA :: 57.2907 CB :: 66.5336 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.0069 HA :: 4.6677 HB2 :: 3.8896 HB3 :: 4.1235 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.2284 Ave N Shift Values>> N :: 116.28(3.52) 1.C96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.22 N 0.13 K 0.09 F 0.06 C 0.05 Y 0.04 R 0.01 C Shift Assignments>> C :: 173.8116 CA :: 53.0842 CB :: 41.4042 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.8059 HA :: 5.4210 HB2 :: 2.5046 HB3 :: 3.0416 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.0086 Ave N Shift Values>> N :: 120.17(4.64) 1.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 176.4450 CA :: 63.4395 CB :: 69.6075 CG2 :: 22.0561 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.7370 HA :: 3.9938 HB :: 3.8609 HG21 :: 1.3008 HG22 :: 1.3008 HG23 :: 1.3008 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.8126 Ave N Shift Values>> N :: 115.42(4.75) 1.K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.44 R 0.08 C Shift Assignments>> C :: 172.3104 CA :: 58.8873 CB :: 32.1395 CG :: 24.5431 CD :: 29.4137 CE :: 42.1022 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.3252 HA :: 4.1041 HB2 :: 1.7896 HB3 :: 1.8842 HG2 :: 1.4011 HG3 :: 1.5025 HD2 :: 1.7035 HE2 :: 2.9868 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.9632 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.19 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 175.1269 CA :: 44.7105 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.8271 HA2 :: 3.5216 HA3 :: 4.2197 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.6080 Ave N Shift Values>> N :: 109.67(3.87) 1.Y100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.7 C 0.29 HN Overlap>> 1.Q91 1.Q91 C Shift Assignments>> C :: 174.5477 CA :: 57.1578 CB :: 40.1938 CD1 :: 133.1372 CD2 :: 133.1372 CE1 :: 117.6587 CE2 :: 117.6587 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.2812 HA :: 4.6417 HB2 :: 2.5141 HB3 :: 3.2490 HD1 :: 6.7166 HD2 :: 6.7166 HE1 :: 6.6579 HE2 :: 6.6579 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.8999 Ave N Shift Values>> N :: 120.52(4.2) 1.R101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.33 G 0.1 K 0.07 C Shift Assignments>> C :: 175.1785 CA :: 54.5535 CB :: 32.2014 CG :: 27.3699 CD :: 43.4734 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.6085 HA :: 4.5277 HB2 :: 1.6845 HB3 :: 1.7680 HG2 :: 1.5510 HD2 :: 3.1472 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.4306 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 L 0.33 R 0.28 G 0.02 HN Overlap>> 1.V76 1.V76 C Shift Assignments>> C :: 172.4204 CA :: 56.5027 CB :: 42.8057 CG :: 28.1562 CD1 :: 26.0821 CD2 :: 25.4652 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.2306 HA :: 4.6623 HB2 :: 1.4636 HB3 :: 1.6528 HG :: 1.1739 HD11 :: 0.6279 HD12 :: 0.6279 HD13 :: 0.6279 HD21 :: 0.4882 HD22 :: 0.4882 HD23 :: 0.4882 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.6524 Ave N Shift Values>> N :: 121.86(3.9) 1.I103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 174.1576 CA :: 61.1692 CB :: 37.8026 CG1 :: 26.6386 CG2 :: 17.2861 CD1 :: 13.1022 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.6605 HA :: 4.2399 HB :: 1.8732 HG12 :: 1.1103 HG13 :: 1.4248 HG21 :: 0.8139 HG22 :: 0.8139 HG23 :: 0.8139 HD11 :: 0.7788 HD12 :: 0.7788 HD13 :: 0.7788 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 131.5967 Ave N Shift Values>> N :: 121.46(4.28) 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.29 D 0.07 K 0.06 F 0.05 G 0.03 Y 0.03 C 0.03 I 0.01 C Shift Assignments>> C :: 176.9235 CA :: 43.0640 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4648 HA2 :: 3.6171 HA3 :: 4.5428 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.7305 Ave N Shift Values>> N :: 109.67(3.87) 1.S105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.0127 CA :: 58.3282 CB :: 63.9962 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7594 HA :: 4.5092 HB2 :: 3.7771 HB3 :: 4.0186 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.6316 Ave N Shift Values>> N :: 116.28(3.52) 1.S106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.4033 CA :: 59.2089 CB :: 64.0346 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.6175 HA :: 4.4466 HB2 :: 3.9350 HB3 :: 4.3367 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.6962 Ave N Shift Values>> N :: 116.28(3.52) 1.S107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.9 T 0.09 HN Overlap>> 1.K53 1.K53 C Shift Assignments>> C :: 176.8882 CA :: 57.0214 CB :: 66.3907 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9517 HA :: 5.3456 HB2 :: 3.8435 HB3 :: 3.8889 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.2473 Ave N Shift Values>> N :: 116.28(3.52) 1.A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.16 K 0.14 A 0.05 P 0.01 C Shift Assignments>> C :: 173.8074 CA :: 51.8229 CB :: 24.0707 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2858 HA :: 5.0874 HB1 :: 1.5890 HB2 :: 1.5890 HB3 :: 1.5890 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.4376 Ave N Shift Values>> N :: 123.23(3.54) 1.T109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 176.1587 CA :: 61.3416 CB :: 71.1706 CG2 :: 21.2915 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.6356 HA :: 5.5600 HB :: 3.8003 HG21 :: 1.0448 HG22 :: 1.0448 HG23 :: 1.0448 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.0074 Ave N Shift Values>> N :: 115.42(4.75) 1.C110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.19 N 0.18 F 0.18 D 0.18 C 0.12 L 0.08 I 0.02 C Shift Assignments>> C :: 174.8916 CA :: 55.4791 CB :: 39.1854 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.3380 HA :: 4.3663 HB2 :: 1.5931 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 127.6024 Ave N Shift Values>> N :: 120.17(4.64) 1.I111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.34 G 0.05 HN Overlap>> 1.Y36 1.Y36 C Shift Assignments>> C :: 174.3899 CA :: 60.2213 CB :: 42.5220 CG2 :: 17.9680 CD1 :: 14.3450 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.3752 HA :: 4.9087 HB :: 2.0546 HG21 :: 1.0120 HG22 :: 1.0120 HG23 :: 1.0120 HD11 :: 0.9293 HD12 :: 0.9293 HD13 :: 0.9293 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.7745 Ave N Shift Values>> N :: 121.46(4.28) 1.I112 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 :: 172.5597 CA :: 61.8885 CB :: 39.6848 CG1 :: 28.4298 CG2 :: 17.9729 CD1 :: 14.3843 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.0411 HA :: 4.0700 HB :: 1.5296 HG12 :: 0.5791 HG13 :: 1.2683 HG21 :: 0.7921 HG22 :: 0.7921 HG23 :: 0.7921 HD11 :: 0.4877 HD12 :: 0.4877 HD13 :: 0.4877 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.2564 Ave N Shift Values>> N :: 121.46(4.28) 1.S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.5937 CA :: 57.1108 CB :: 63.8347 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0134 HA :: 4.3763 HB2 :: 3.4140 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.1668 Ave N Shift Values>> N :: 116.28(3.52) 1.G114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.08 L 0.04 A 0.03 P 0.03 C Shift Assignments>> C :: 174.6646 CA :: 47.4878 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.1161 HA2 :: 3.6103 HA3 :: 3.9205 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 119.0887 Ave N Shift Values>> N :: 109.67(3.87) 1.D115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.22 N 0.12 K 0.09 F 0.07 Y 0.05 C 0.05 R 0.01 C Shift Assignments>> C :: 173.7243 CA :: 53.7228 CB :: 41.2316 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.8446 HA :: 4.7607 HB2 :: 2.6371 HB3 :: 2.7091 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.1427 Ave N Shift Values>> N :: 120.65(3.86) 1.T116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.46 C 0.43 A 0.09 C Shift Assignments>> C :: 175.6361 CA :: 58.6120 CB :: 71.1461 CG2 :: 19.4705 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.1344 HA :: 4.6628 HB :: 4.0666 HG21 :: 1.2049 HG22 :: 1.2049 HG23 :: 1.2049 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.0438 Ave N Shift Values>> N :: 115.42(4.75) 1.V117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 V 0.26 A 0.01 C Shift Assignments>> C :: 174.7523 CA :: 58.6408 CB :: 33.8243 CG1 :: 22.8951 CG2 :: 19.6553 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.3100 HA :: 5.3149 HB :: 1.9441 HG11 :: 0.4339 HG12 :: 0.4339 HG13 :: 0.4339 HG21 :: 0.3982 HG22 :: 0.3982 HG23 :: 0.3982 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.7276 Ave N Shift Values>> N :: 121.14(4.54) 1.I118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 I 0.27 G 0.25 A 0.01 C Shift Assignments>> C :: 174.6366 CA :: 59.4949 CB :: 43.1915 CG2 :: 18.0444 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.9453 HA :: 4.5059 HB :: 1.8812 HG21 :: 0.8068 HG22 :: 0.8068 HG23 :: 0.8068 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.1157 Ave N Shift Values>> N :: 121.46(4.28) 1.W119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.47 C Shift Assignments>> C :: 170.4133 CA :: 56.3766 CB :: 30.2962 CD1 :: 126.7320 CE3 :: 120.6065 CZ2 :: 113.3908 CZ3 :: 123.2667 CH2 :: 124.2543 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.5673 HA :: 5.1068 HB2 :: 3.1002 HB3 :: 3.3758 HD1 :: 7.2672 HE1 :: 10.6543 HE3 :: 7.1630 HZ2 :: 7.2186 HZ3 :: 7.0074 HH2 :: 6.9353 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.7546 NE1 :: 128.0620 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 F 0.17 Y 0.15 L 0.15 N 0.12 C 0.09 K 0.02 I 0.01 C Shift Assignments>> C :: 174.0833 CA :: 55.4007 CB :: 40.1491 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.4507 HA :: 4.2067 HB2 :: 2.8414 HB3 :: 3.1317 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.2862 Ave N Shift Values>> N :: 120.65(3.86) 1.Q121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 C 0.31 Q 0.05 C Shift Assignments>> C :: 173.6391 CA :: 53.1827 CB :: 32.3229 CG :: 32.0933 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.3054 HA :: 4.7455 HB2 :: 2.7522 HG2 :: 2.3766 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.1386 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 C 0.26 Q 0.16 M 0.14 K 0.1 C Shift Assignments>> C :: 173.5785 CA :: 55.1569 CB :: 30.2152 CG :: 35.4422 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.6149 HA :: 4.3304 HB2 :: 1.8486 HB3 :: 2.0565 HG2 :: 2.3794 HG3 :: 2.4036 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.8806 Ave N Shift Values>> N :: 120.67(3.48) 1.T123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 176.6990 CA :: 61.7574 CB :: 69.7991 CG2 :: 21.0710 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.0746 HA :: 3.6088 HB :: 3.7465 HG21 :: 1.1106 HG22 :: 1.1106 HG23 :: 1.1106 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.8894 Ave N Shift Values>> N :: 115.42(4.75) 1.P124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.44 P 0.24 C 0.21 W 0.03 K 0.02 R 0.01 C Shift Assignments>> C :: 175.2998 CA :: 62.3599 CB :: 32.8884 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.5316 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.I125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.47 C Shift Assignments>> C :: 174.7483 CA :: 59.2417 CB :: 41.1841 CG1 :: 27.7560 CG2 :: 17.8322 CD1 :: 13.0458 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.8740 HA :: 4.2873 HB :: 1.7198 HG12 :: 1.1411 HG13 :: 1.4284 HG21 :: 0.8309 HG22 :: 0.8309 HG23 :: 0.8309 HD11 :: 0.8069 HD12 :: 0.8069 HD13 :: 0.8069 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 114.7294 Ave N Shift Values>> N :: 121.46(4.28) 1.C126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.23 K 0.11 N 0.1 F 0.07 Y 0.05 C 0.05 R 0.02 C Shift Assignments>> C :: 175.5826 CA :: 53.6941 CB :: 41.4498 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.5832 HA :: 5.5495 HB2 :: 2.4359 HB3 :: 3.2357 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 123.4438 Ave N Shift Values>> N :: 120.17(4.64) 1.D127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.19 R 0.06 D 0.05 C 0.03 F 0.01 C Shift Assignments>> C :: 174.4948 CA :: 52.2168 CB :: 44.4032 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.3086 HA :: 5.3074 HB2 :: 2.4665 HB3 :: 2.7509 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.4592 Ave N Shift Values>> N :: 120.65(3.86) 1.R128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.14 R 0.13 E 0.13 H 0.12 K 0.08 M 0.07 Q 0.07 V 0.03 I 0.01 C Shift Assignments>> CA :: 58.2313 CB :: 31.0145 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.4637 HA :: 3.9952 HB2 :: 1.4852 HB3 :: 1.5501 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 126.8203 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) ########################################################################### Overall Results: #Consistent: 117 #Clerical: 0 #Suspicious: 11 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 122 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 128 #Suspicious: 0 C Shift Results: #Consistent: 516 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 719 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 0 N Shift Results: #Consistent: 121 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P11 HB2 = 0.7550(S), Expected = 2.08, Std = 0.3500, ChiSquare = 1.5327e-04 1.P11 HG2 = 0.2060(S), Expected = 1.93, Std = 0.3100, ChiSquare = 2.6779e-08 1.L14 HB3 = -0.2689(S), Expected = 1.52, Std = 0.3600, ChiSquare = 6.7241e-07 1.F16 H = 5.5875(S), Expected = 8.36, Std = 0.7200, ChiSquare = 1.1778e-04 1.P19 C = 171.5546(S), Expected = 176.75, Std = 1.5100, ChiSquare = 5.8029e-04 1.P29 C = 171.1626(S), Expected = 176.75, Std = 1.5100, ChiSquare = 2.1537e-04 1.G41 HA2 = 2.2101(S), Expected = 3.97, Std = 0.3700, ChiSquare = 1.9699e-06 1.C51 HB2 = 1.1755(S), Expected = 2.96, Std = 0.4400, ChiSquare = 4.9988e-05 1.R63 HG2 = 0.0475(S), Expected = 1.57, Std = 0.2700, ChiSquare = 1.7115e-08 1.N77 HB2 = 1.5066(S), Expected = 2.81, Std = 0.3100, ChiSquare = 2.6164e-05 1.Q91 HA = 5.8188(S), Expected = 4.27, Std = 0.4400, ChiSquare = 4.3155e-04 1.I92 HD11 = -0.6638(S), Expected = 0.68, Std = 0.2900, ChiSquare = 3.5903e-06 1.I92 HD12 = -0.6638(S), Expected = 0.68, Std = 0.2900, ChiSquare = 3.5903e-06 1.I92 HD13 = -0.6638(S), Expected = 0.68, Std = 0.2900, ChiSquare = 3.5903e-06